USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 852 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 81 ASN : amide:sc= -4.39! C(o=-4.2!,f=-17!) USER MOD Set 1.2: A 83 ASN : amide:sc= 0.179 X(o=-4.2,f=-4.6) USER MOD Set 2.1: A 62 HIS : no HD1:sc= -0.0263 X(o=0.97,f=0.97) USER MOD Set 2.2: A 66 ASN : amide:sc= 1 K(o=0.97,f=0) USER MOD Set 3.1: A 27 SER OG : rot 94:sc= 0.872 USER MOD Set 3.2: A 61 THR OG1 : rot 87:sc= -0.203 USER MOD Set 4.1: A 55 HIS : no HE2:sc= 0.939 K(o=3.3,f=-4.5!) USER MOD Set 4.2: A 59 LYS NZ :NH3+ -115:sc= 2.4 (180deg=0.543) USER MOD Set 5.1: A 50 THR OG1 : rot -179:sc= 1.09 USER MOD Set 5.2: A 54 LYS NZ :NH3+ 171:sc= 1.21 (180deg=-0.0311) USER MOD Set 6.1: A 48 THR OG1 : rot 116:sc= 1.17 USER MOD Set 6.2: A 49 THR OG1 : rot 90:sc= 1.26 USER MOD Set 7.1: A 26 MET CE :methyl -117:sc= -2.69 (180deg=-3.44!) USER MOD Set 7.2: A 80 CYS SG : rot -130:sc= -0.0313 USER MOD Set 7.3: A 88 THR OG1 : rot 91:sc= -0.673 USER MOD Set 8.1: A 10 THR OG1 : rot -153:sc= 0.558 USER MOD Set 8.2: A 12 SER OG : rot 180:sc= 0.0318 USER MOD Single : A 11 SER OG : rot -142:sc= 0.823 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 164:sc= -0.0374 (180deg=-0.333) USER MOD Single : A 18 SER OG : rot -102:sc= 0.274 USER MOD Single : A 19 LYS NZ :NH3+ -169:sc=-0.00636 (180deg=-0.136) USER MOD Single : A 24 LYS NZ :NH3+ -171:sc=-0.000359 (180deg=-0.0928) USER MOD Single : A 28 GLN : amide:sc= -0.0478 X(o=-0.048,f=-0.35) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.0305 F(o=-1.2!,f=-0.031) USER MOD Single : A 33 CYS SG : rot 65:sc= -0.476! USER MOD Single : A 35 ASN : amide:sc= 1.96 K(o=2,f=-4.9!) USER MOD Single : A 37 TYR OH : rot 30:sc= -0.142 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 50:sc= -4.14! USER MOD Single : A 43 LYS NZ :NH3+ 171:sc= -0.0157 (180deg=-0.151) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0241) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 CYS SG : rot -141:sc= 1.27 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.852 K(o=-0.85,f=-4.2!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 HIS : no HD1:sc= -0.0633 X(o=-0.063,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0161) USER MOD Single : A 89 LYS NZ :NH3+ 164:sc= -0.0484 (180deg=-0.241) USER MOD Single : A 91 TYR OH : rot 165:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -161:sc= 1.28 (180deg=1.15) USER MOD Single : A 94 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00693) USER MOD Single : A 95 TYR OH : rot 36:sc= 0.595 USER MOD Single : A 96 MET CE :methyl 164:sc= -2.15 (180deg=-2.67!) USER MOD Single : A 97 GLN : amide:sc= -0.204 K(o=-0.2,f=-4.5!) USER MOD Single : A 98 LYS NZ :NH3+ 161:sc= -0.564! (180deg=-1.34!) USER MOD Single : A 103 TYR OH : rot -107:sc= -1.95 USER MOD Single : A 104 LYS NZ :NH3+ 142:sc= -0.106 (180deg=-1.08) USER MOD Single : A 106 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0368) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 10 -2.595 -23.608 3.575 1.00 0.00 N ATOM 2 CA THR A 10 -2.959 -22.884 4.730 1.00 0.00 C ATOM 3 C THR A 10 -2.581 -21.407 4.539 1.00 0.00 C ATOM 4 O THR A 10 -1.466 -20.952 4.830 1.00 0.00 O ATOM 5 CB THR A 10 -2.394 -23.546 6.026 1.00 0.00 C ATOM 6 OG1 THR A 10 -2.629 -22.741 7.186 1.00 0.00 O ATOM 7 CG2 THR A 10 -0.916 -23.905 5.886 1.00 0.00 C ATOM 0 HA THR A 10 -4.039 -22.914 4.871 1.00 0.00 H new ATOM 0 HB THR A 10 -2.942 -24.478 6.164 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.944 -22.931 7.861 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.564 -24.363 6.810 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.789 -24.607 5.062 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.340 -23.002 5.686 1.00 0.00 H new ATOM 15 N SER A 11 -3.516 -20.694 3.967 1.00 0.00 N ATOM 16 CA SER A 11 -3.357 -19.316 3.567 1.00 0.00 C ATOM 17 C SER A 11 -3.533 -18.387 4.708 1.00 0.00 C ATOM 18 O SER A 11 -3.159 -17.223 4.620 1.00 0.00 O ATOM 19 CB SER A 11 -4.360 -19.027 2.500 1.00 0.00 C ATOM 20 OG SER A 11 -4.341 -20.063 1.525 1.00 0.00 O ATOM 0 H SER A 11 -4.442 -21.068 3.759 1.00 0.00 H new ATOM 0 HA SER A 11 -2.344 -19.165 3.193 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.355 -18.945 2.937 1.00 0.00 H new ATOM 0 HB3 SER A 11 -4.138 -18.069 2.030 1.00 0.00 H new ATOM 0 HG SER A 11 -4.470 -19.676 0.634 1.00 0.00 H new ATOM 26 N SER A 12 -4.073 -18.886 5.757 1.00 0.00 N ATOM 27 CA SER A 12 -4.252 -18.128 6.922 1.00 0.00 C ATOM 28 C SER A 12 -2.880 -17.722 7.483 1.00 0.00 C ATOM 29 O SER A 12 -2.613 -16.542 7.746 1.00 0.00 O ATOM 30 CB SER A 12 -5.066 -18.964 7.888 1.00 0.00 C ATOM 31 OG SER A 12 -4.511 -20.279 8.012 1.00 0.00 O ATOM 0 H SER A 12 -4.406 -19.848 5.824 1.00 0.00 H new ATOM 0 HA SER A 12 -4.792 -17.201 6.730 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.090 -18.480 8.865 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.097 -19.030 7.540 1.00 0.00 H new ATOM 0 HG SER A 12 -5.049 -20.803 8.641 1.00 0.00 H new ATOM 37 N GLU A 13 -1.998 -18.687 7.614 1.00 0.00 N ATOM 38 CA GLU A 13 -0.659 -18.454 8.116 1.00 0.00 C ATOM 39 C GLU A 13 0.274 -17.918 7.042 1.00 0.00 C ATOM 40 O GLU A 13 1.189 -17.159 7.343 1.00 0.00 O ATOM 41 CB GLU A 13 -0.113 -19.707 8.759 1.00 0.00 C ATOM 42 CG GLU A 13 -0.075 -20.904 7.841 1.00 0.00 C ATOM 43 CD GLU A 13 0.245 -22.152 8.587 1.00 0.00 C ATOM 44 OE1 GLU A 13 -0.691 -22.792 9.114 1.00 0.00 O ATOM 45 OE2 GLU A 13 1.424 -22.523 8.669 1.00 0.00 O ATOM 0 H GLU A 13 -2.188 -19.660 7.375 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.721 -17.678 8.879 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.896 -19.507 9.120 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.721 -19.950 9.630 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.038 -21.013 7.343 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.670 -20.743 7.062 1.00 0.00 H new ATOM 52 N LEU A 14 0.030 -18.307 5.787 1.00 0.00 N ATOM 53 CA LEU A 14 0.811 -17.818 4.623 1.00 0.00 C ATOM 54 C LEU A 14 0.733 -16.316 4.591 1.00 0.00 C ATOM 55 O LEU A 14 1.700 -15.604 4.348 1.00 0.00 O ATOM 56 CB LEU A 14 0.177 -18.343 3.347 1.00 0.00 C ATOM 57 CG LEU A 14 0.873 -18.001 2.018 1.00 0.00 C ATOM 58 CD1 LEU A 14 2.256 -18.628 1.933 1.00 0.00 C ATOM 59 CD2 LEU A 14 0.013 -18.434 0.846 1.00 0.00 C ATOM 0 H LEU A 14 -0.708 -18.966 5.539 1.00 0.00 H new ATOM 0 HA LEU A 14 1.845 -18.154 4.704 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.113 -19.428 3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.845 -17.966 3.299 1.00 0.00 H new ATOM 0 HG LEU A 14 1.002 -16.919 1.977 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.717 -18.365 0.981 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.874 -18.257 2.750 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.169 -19.712 2.007 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.518 -18.186 -0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.152 -19.510 0.894 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.946 -17.918 0.888 1.00 0.00 H new ATOM 71 N ALA A 15 -0.407 -15.869 4.967 1.00 0.00 N ATOM 72 CA ALA A 15 -0.723 -14.506 4.931 1.00 0.00 C ATOM 73 C ALA A 15 -0.232 -13.781 6.149 1.00 0.00 C ATOM 74 O ALA A 15 -0.151 -12.574 6.141 1.00 0.00 O ATOM 75 CB ALA A 15 -2.153 -14.302 4.749 1.00 0.00 C ATOM 0 H ALA A 15 -1.160 -16.462 5.316 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.205 -14.083 4.070 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.368 -13.234 4.725 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -2.469 -14.757 3.810 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.694 -14.763 5.575 1.00 0.00 H new ATOM 81 N LYS A 16 0.132 -14.509 7.186 1.00 0.00 N ATOM 82 CA LYS A 16 0.685 -13.876 8.362 1.00 0.00 C ATOM 83 C LYS A 16 2.005 -13.229 7.961 1.00 0.00 C ATOM 84 O LYS A 16 2.343 -12.121 8.389 1.00 0.00 O ATOM 85 CB LYS A 16 0.888 -14.883 9.492 1.00 0.00 C ATOM 86 CG LYS A 16 1.451 -14.272 10.769 1.00 0.00 C ATOM 87 CD LYS A 16 1.638 -15.307 11.865 1.00 0.00 C ATOM 88 CE LYS A 16 2.595 -16.413 11.448 1.00 0.00 C ATOM 89 NZ LYS A 16 2.824 -17.386 12.531 1.00 0.00 N ATOM 0 H LYS A 16 0.056 -15.525 7.237 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.006 -13.122 8.739 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.067 -15.358 9.718 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.561 -15.668 9.149 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.408 -13.798 10.552 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.780 -13.489 11.122 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.017 -14.819 12.763 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.672 -15.741 12.122 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.193 -16.930 10.576 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.547 -15.974 11.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.482 -18.122 12.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.232 -16.899 13.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.920 -17.825 12.800 1.00 0.00 H new ATOM 103 N LYS A 17 2.730 -13.926 7.107 1.00 0.00 N ATOM 104 CA LYS A 17 3.931 -13.389 6.533 1.00 0.00 C ATOM 105 C LYS A 17 3.594 -12.483 5.355 1.00 0.00 C ATOM 106 O LYS A 17 4.197 -11.431 5.191 1.00 0.00 O ATOM 107 CB LYS A 17 4.946 -14.476 6.104 1.00 0.00 C ATOM 108 CG LYS A 17 5.651 -15.219 7.253 1.00 0.00 C ATOM 109 CD LYS A 17 4.740 -16.182 8.017 1.00 0.00 C ATOM 110 CE LYS A 17 4.323 -17.370 7.161 1.00 0.00 C ATOM 111 NZ LYS A 17 5.482 -18.174 6.724 1.00 0.00 N ATOM 0 H LYS A 17 2.499 -14.871 6.799 1.00 0.00 H new ATOM 0 HA LYS A 17 4.416 -12.808 7.317 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.427 -15.209 5.486 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.706 -14.011 5.476 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.496 -15.777 6.848 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.057 -14.487 7.951 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.256 -16.540 8.908 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.852 -15.649 8.356 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.637 -18.001 7.727 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.780 -17.013 6.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.154 -19.101 6.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.977 -17.679 5.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 6.132 -18.309 7.524 1.00 0.00 H new ATOM 125 N SER A 18 2.589 -12.868 4.563 1.00 0.00 N ATOM 126 CA SER A 18 2.276 -12.133 3.349 1.00 0.00 C ATOM 127 C SER A 18 1.804 -10.712 3.671 1.00 0.00 C ATOM 128 O SER A 18 2.140 -9.799 2.962 1.00 0.00 O ATOM 129 CB SER A 18 1.261 -12.881 2.467 1.00 0.00 C ATOM 130 OG SER A 18 1.328 -12.468 1.098 1.00 0.00 O ATOM 0 H SER A 18 1.990 -13.674 4.743 1.00 0.00 H new ATOM 0 HA SER A 18 3.197 -12.055 2.771 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.447 -13.953 2.531 1.00 0.00 H new ATOM 0 HB3 SER A 18 0.254 -12.709 2.848 1.00 0.00 H new ATOM 0 HG SER A 18 0.592 -11.850 0.906 1.00 0.00 H new ATOM 136 N LYS A 19 1.071 -10.519 4.780 1.00 0.00 N ATOM 137 CA LYS A 19 0.594 -9.196 5.129 1.00 0.00 C ATOM 138 C LYS A 19 1.731 -8.314 5.503 1.00 0.00 C ATOM 139 O LYS A 19 1.781 -7.197 5.041 1.00 0.00 O ATOM 140 CB LYS A 19 -0.478 -9.184 6.245 1.00 0.00 C ATOM 141 CG LYS A 19 -1.704 -10.040 5.948 1.00 0.00 C ATOM 142 CD LYS A 19 -2.950 -9.585 6.696 1.00 0.00 C ATOM 143 CE LYS A 19 -2.831 -9.729 8.194 1.00 0.00 C ATOM 144 NZ LYS A 19 -2.634 -11.135 8.613 1.00 0.00 N ATOM 0 H LYS A 19 0.806 -11.257 5.432 1.00 0.00 H new ATOM 0 HA LYS A 19 0.103 -8.814 4.234 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.023 -9.531 7.173 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.799 -8.156 6.413 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.903 -10.018 4.877 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.488 -11.076 6.211 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.151 -8.542 6.453 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.806 -10.164 6.349 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.995 -9.127 8.549 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.731 -9.335 8.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.744 -11.209 9.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.340 -11.739 8.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.679 -11.447 8.344 1.00 0.00 H new ATOM 158 N GLU A 20 2.687 -8.825 6.290 1.00 0.00 N ATOM 159 CA GLU A 20 3.800 -7.992 6.689 1.00 0.00 C ATOM 160 C GLU A 20 4.672 -7.661 5.486 1.00 0.00 C ATOM 161 O GLU A 20 5.031 -6.503 5.286 1.00 0.00 O ATOM 162 CB GLU A 20 4.636 -8.565 7.858 1.00 0.00 C ATOM 163 CG GLU A 20 5.397 -9.843 7.564 1.00 0.00 C ATOM 164 CD GLU A 20 6.372 -10.190 8.655 1.00 0.00 C ATOM 165 OE1 GLU A 20 7.475 -9.592 8.693 1.00 0.00 O ATOM 166 OE2 GLU A 20 6.065 -11.059 9.502 1.00 0.00 O ATOM 0 H GLU A 20 2.704 -9.780 6.647 1.00 0.00 H new ATOM 0 HA GLU A 20 3.366 -7.072 7.081 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.350 -7.805 8.175 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.969 -8.748 8.701 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.690 -10.663 7.437 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.933 -9.735 6.621 1.00 0.00 H new ATOM 173 N VAL A 21 4.937 -8.652 4.641 1.00 0.00 N ATOM 174 CA VAL A 21 5.756 -8.445 3.465 1.00 0.00 C ATOM 175 C VAL A 21 5.053 -7.484 2.520 1.00 0.00 C ATOM 176 O VAL A 21 5.644 -6.510 2.097 1.00 0.00 O ATOM 177 CB VAL A 21 6.122 -9.777 2.746 1.00 0.00 C ATOM 178 CG1 VAL A 21 6.939 -9.513 1.487 1.00 0.00 C ATOM 179 CG2 VAL A 21 6.902 -10.691 3.682 1.00 0.00 C ATOM 0 H VAL A 21 4.593 -9.606 4.754 1.00 0.00 H new ATOM 0 HA VAL A 21 6.701 -8.009 3.788 1.00 0.00 H new ATOM 0 HB VAL A 21 5.191 -10.267 2.460 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.181 -10.460 1.005 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.361 -8.894 0.801 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.861 -8.996 1.753 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.150 -11.617 3.163 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.820 -10.194 3.995 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.295 -10.917 4.559 1.00 0.00 H new ATOM 189 N PHE A 22 3.765 -7.702 2.298 1.00 0.00 N ATOM 190 CA PHE A 22 2.965 -6.849 1.427 1.00 0.00 C ATOM 191 C PHE A 22 2.929 -5.445 1.950 1.00 0.00 C ATOM 192 O PHE A 22 3.254 -4.504 1.225 1.00 0.00 O ATOM 193 CB PHE A 22 1.524 -7.404 1.295 1.00 0.00 C ATOM 194 CG PHE A 22 0.473 -6.359 0.987 1.00 0.00 C ATOM 195 CD1 PHE A 22 0.413 -5.741 -0.241 1.00 0.00 C ATOM 196 CD2 PHE A 22 -0.438 -5.985 1.956 1.00 0.00 C ATOM 197 CE1 PHE A 22 -0.532 -4.773 -0.498 1.00 0.00 C ATOM 198 CE2 PHE A 22 -1.381 -5.024 1.700 1.00 0.00 C ATOM 199 CZ PHE A 22 -1.432 -4.415 0.476 1.00 0.00 C ATOM 0 H PHE A 22 3.244 -8.474 2.715 1.00 0.00 H new ATOM 0 HA PHE A 22 3.429 -6.842 0.441 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.510 -8.158 0.508 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.256 -7.908 2.224 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.116 -6.019 -1.013 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.407 -6.456 2.927 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.566 -4.295 -1.466 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.087 -4.746 2.468 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.175 -3.657 0.277 1.00 0.00 H new ATOM 209 N ARG A 23 2.552 -5.295 3.218 1.00 0.00 N ATOM 210 CA ARG A 23 2.469 -3.975 3.803 1.00 0.00 C ATOM 211 C ARG A 23 3.816 -3.293 3.769 1.00 0.00 C ATOM 212 O ARG A 23 3.885 -2.104 3.609 1.00 0.00 O ATOM 213 CB ARG A 23 1.830 -3.988 5.219 1.00 0.00 C ATOM 214 CG ARG A 23 2.642 -4.623 6.357 1.00 0.00 C ATOM 215 CD ARG A 23 3.597 -3.643 7.051 1.00 0.00 C ATOM 216 NE ARG A 23 4.141 -4.197 8.311 1.00 0.00 N ATOM 217 CZ ARG A 23 5.339 -4.790 8.470 1.00 0.00 C ATOM 218 NH1 ARG A 23 6.084 -5.087 7.428 1.00 0.00 N ATOM 219 NH2 ARG A 23 5.749 -5.135 9.681 1.00 0.00 N ATOM 0 H ARG A 23 2.305 -6.061 3.844 1.00 0.00 H new ATOM 0 HA ARG A 23 1.789 -3.382 3.191 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.609 -2.958 5.498 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.877 -4.512 5.153 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.955 -5.034 7.097 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.218 -5.458 5.959 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.419 -3.399 6.378 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.071 -2.712 7.262 1.00 0.00 H new ATOM 0 HE ARG A 23 3.551 -4.122 9.139 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.756 -4.868 6.487 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.990 -5.536 7.560 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.157 -4.951 10.491 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.656 -5.584 9.803 1.00 0.00 H new ATOM 233 N LYS A 24 4.881 -4.078 3.839 1.00 0.00 N ATOM 234 CA LYS A 24 6.226 -3.559 3.822 1.00 0.00 C ATOM 235 C LYS A 24 6.494 -2.955 2.424 1.00 0.00 C ATOM 236 O LYS A 24 6.797 -1.761 2.307 1.00 0.00 O ATOM 237 CB LYS A 24 7.217 -4.699 4.149 1.00 0.00 C ATOM 238 CG LYS A 24 8.620 -4.322 4.624 1.00 0.00 C ATOM 239 CD LYS A 24 9.405 -3.506 3.626 1.00 0.00 C ATOM 240 CE LYS A 24 10.862 -3.385 4.032 1.00 0.00 C ATOM 241 NZ LYS A 24 11.037 -2.846 5.395 1.00 0.00 N ATOM 0 H LYS A 24 4.829 -5.094 3.909 1.00 0.00 H new ATOM 0 HA LYS A 24 6.357 -2.779 4.573 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.763 -5.325 4.917 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.322 -5.315 3.256 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.539 -3.760 5.554 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.174 -5.233 4.849 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.338 -3.969 2.642 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.966 -2.512 3.541 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.333 -4.366 3.972 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.379 -2.739 3.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.043 -2.643 5.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.486 -1.970 5.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.706 -3.545 6.090 1.00 0.00 H new ATOM 255 N GLU A 25 6.294 -3.753 1.370 1.00 0.00 N ATOM 256 CA GLU A 25 6.590 -3.300 0.027 1.00 0.00 C ATOM 257 C GLU A 25 5.629 -2.270 -0.476 1.00 0.00 C ATOM 258 O GLU A 25 6.006 -1.418 -1.259 1.00 0.00 O ATOM 259 CB GLU A 25 6.795 -4.439 -0.965 1.00 0.00 C ATOM 260 CG GLU A 25 6.055 -5.706 -0.687 1.00 0.00 C ATOM 261 CD GLU A 25 6.532 -6.807 -1.573 1.00 0.00 C ATOM 262 OE1 GLU A 25 7.518 -7.483 -1.211 1.00 0.00 O ATOM 263 OE2 GLU A 25 5.981 -6.995 -2.660 1.00 0.00 O ATOM 0 H GLU A 25 5.932 -4.705 1.430 1.00 0.00 H new ATOM 0 HA GLU A 25 7.554 -2.797 0.108 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.506 -4.085 -1.955 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.860 -4.668 -1.006 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.191 -5.989 0.357 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.987 -5.549 -0.839 1.00 0.00 H new ATOM 270 N MET A 26 4.413 -2.313 -0.010 1.00 0.00 N ATOM 271 CA MET A 26 3.465 -1.314 -0.379 1.00 0.00 C ATOM 272 C MET A 26 3.739 -0.013 0.358 1.00 0.00 C ATOM 273 O MET A 26 3.573 1.038 -0.189 1.00 0.00 O ATOM 274 CB MET A 26 2.054 -1.806 -0.151 1.00 0.00 C ATOM 275 CG MET A 26 0.984 -0.793 -0.566 1.00 0.00 C ATOM 276 SD MET A 26 1.366 0.082 -2.126 1.00 0.00 S ATOM 277 CE MET A 26 0.992 -1.067 -3.437 1.00 0.00 C ATOM 0 H MET A 26 4.060 -3.030 0.625 1.00 0.00 H new ATOM 0 HA MET A 26 3.570 -1.111 -1.445 1.00 0.00 H new ATOM 0 HB2 MET A 26 1.905 -2.731 -0.709 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.927 -2.046 0.905 1.00 0.00 H new ATOM 0 HG2 MET A 26 0.030 -1.309 -0.673 1.00 0.00 H new ATOM 0 HG3 MET A 26 0.862 -0.060 0.231 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.903 -1.300 -3.988 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.581 -1.983 -3.012 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.263 -0.622 -4.114 1.00 0.00 H new ATOM 287 N SER A 27 4.214 -0.103 1.595 1.00 0.00 N ATOM 288 CA SER A 27 4.615 1.078 2.313 1.00 0.00 C ATOM 289 C SER A 27 5.750 1.712 1.559 1.00 0.00 C ATOM 290 O SER A 27 5.775 2.903 1.385 1.00 0.00 O ATOM 291 CB SER A 27 5.035 0.802 3.775 1.00 0.00 C ATOM 292 OG SER A 27 3.952 0.309 4.555 1.00 0.00 O ATOM 0 H SER A 27 4.326 -0.977 2.109 1.00 0.00 H new ATOM 0 HA SER A 27 3.753 1.743 2.376 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.850 0.079 3.788 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.416 1.720 4.222 1.00 0.00 H new ATOM 0 HG SER A 27 3.968 -0.671 4.555 1.00 0.00 H new ATOM 298 N GLN A 28 6.643 0.880 1.033 1.00 0.00 N ATOM 299 CA GLN A 28 7.798 1.385 0.286 1.00 0.00 C ATOM 300 C GLN A 28 7.354 1.961 -1.045 1.00 0.00 C ATOM 301 O GLN A 28 7.805 3.032 -1.451 1.00 0.00 O ATOM 302 CB GLN A 28 8.840 0.295 0.066 1.00 0.00 C ATOM 303 CG GLN A 28 9.349 -0.331 1.346 1.00 0.00 C ATOM 304 CD GLN A 28 10.046 0.649 2.266 1.00 0.00 C ATOM 305 OE1 GLN A 28 10.674 1.619 1.824 1.00 0.00 O ATOM 306 NE2 GLN A 28 9.916 0.430 3.547 1.00 0.00 N ATOM 0 H GLN A 28 6.594 -0.136 1.107 1.00 0.00 H new ATOM 0 HA GLN A 28 8.259 2.174 0.880 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.409 -0.485 -0.562 1.00 0.00 H new ATOM 0 HB3 GLN A 28 9.683 0.717 -0.482 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.511 -0.782 1.878 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.040 -1.136 1.097 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.391 -0.381 3.875 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.340 1.070 4.219 1.00 0.00 H new ATOM 315 N PHE A 29 6.476 1.249 -1.709 1.00 0.00 N ATOM 316 CA PHE A 29 5.913 1.673 -2.968 1.00 0.00 C ATOM 317 C PHE A 29 5.168 2.994 -2.807 1.00 0.00 C ATOM 318 O PHE A 29 5.343 3.909 -3.609 1.00 0.00 O ATOM 319 CB PHE A 29 4.999 0.582 -3.528 1.00 0.00 C ATOM 320 CG PHE A 29 4.331 0.931 -4.810 1.00 0.00 C ATOM 321 CD1 PHE A 29 4.975 0.754 -6.015 1.00 0.00 C ATOM 322 CD2 PHE A 29 3.052 1.428 -4.809 1.00 0.00 C ATOM 323 CE1 PHE A 29 4.344 1.071 -7.190 1.00 0.00 C ATOM 324 CE2 PHE A 29 2.422 1.742 -5.970 1.00 0.00 C ATOM 325 CZ PHE A 29 3.061 1.566 -7.161 1.00 0.00 C ATOM 0 H PHE A 29 6.128 0.346 -1.386 1.00 0.00 H new ATOM 0 HA PHE A 29 6.722 1.837 -3.680 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.585 -0.325 -3.674 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.234 0.351 -2.786 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.982 0.364 -6.034 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.538 1.572 -3.870 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.851 0.933 -8.133 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.415 2.131 -5.950 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.559 1.816 -8.084 1.00 0.00 H new ATOM 335 N ILE A 30 4.350 3.085 -1.783 1.00 0.00 N ATOM 336 CA ILE A 30 3.629 4.297 -1.466 1.00 0.00 C ATOM 337 C ILE A 30 4.590 5.394 -1.109 1.00 0.00 C ATOM 338 O ILE A 30 4.442 6.511 -1.583 1.00 0.00 O ATOM 339 CB ILE A 30 2.585 4.088 -0.350 1.00 0.00 C ATOM 340 CG1 ILE A 30 1.456 3.214 -0.891 1.00 0.00 C ATOM 341 CG2 ILE A 30 2.052 5.432 0.147 1.00 0.00 C ATOM 342 CD1 ILE A 30 0.488 2.722 0.147 1.00 0.00 C ATOM 0 H ILE A 30 4.165 2.314 -1.142 1.00 0.00 H new ATOM 0 HA ILE A 30 3.074 4.589 -2.357 1.00 0.00 H new ATOM 0 HB ILE A 30 3.049 3.589 0.500 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.905 3.780 -1.642 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.893 2.353 -1.398 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.317 5.263 0.934 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.876 6.027 0.542 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.583 5.965 -0.680 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.278 2.110 -0.330 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.021 2.125 0.887 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.018 3.574 0.639 1.00 0.00 H new ATOM 354 N VAL A 31 5.582 5.080 -0.289 1.00 0.00 N ATOM 355 CA VAL A 31 6.651 6.040 0.008 1.00 0.00 C ATOM 356 C VAL A 31 7.249 6.595 -1.296 1.00 0.00 C ATOM 357 O VAL A 31 7.349 7.809 -1.474 1.00 0.00 O ATOM 358 CB VAL A 31 7.751 5.400 0.918 1.00 0.00 C ATOM 359 CG1 VAL A 31 9.042 6.207 0.917 1.00 0.00 C ATOM 360 CG2 VAL A 31 7.235 5.305 2.347 1.00 0.00 C ATOM 0 H VAL A 31 5.675 4.180 0.181 1.00 0.00 H new ATOM 0 HA VAL A 31 6.220 6.873 0.564 1.00 0.00 H new ATOM 0 HB VAL A 31 7.970 4.411 0.516 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.774 5.723 1.563 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.435 6.264 -0.098 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.842 7.213 1.286 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.001 4.859 2.982 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.995 6.303 2.714 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.339 4.685 2.370 1.00 0.00 H new ATOM 370 N GLN A 32 7.557 5.705 -2.219 1.00 0.00 N ATOM 371 CA GLN A 32 8.097 6.054 -3.527 1.00 0.00 C ATOM 372 C GLN A 32 7.123 6.963 -4.277 1.00 0.00 C ATOM 373 O GLN A 32 7.513 7.939 -4.906 1.00 0.00 O ATOM 374 CB GLN A 32 8.298 4.768 -4.317 1.00 0.00 C ATOM 375 CG GLN A 32 8.797 4.957 -5.730 1.00 0.00 C ATOM 376 CD GLN A 32 8.869 3.654 -6.514 1.00 0.00 C ATOM 377 OE1 GLN A 32 8.005 2.715 -6.202 1.00 0.00 O flip ATOM 378 NE2 GLN A 32 9.703 3.493 -7.401 1.00 0.00 N flip ATOM 0 H GLN A 32 7.439 4.701 -2.083 1.00 0.00 H new ATOM 0 HA GLN A 32 9.043 6.583 -3.406 1.00 0.00 H new ATOM 0 HB2 GLN A 32 9.005 4.136 -3.780 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.351 4.229 -4.351 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.140 5.653 -6.252 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.787 5.413 -5.702 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.362 4.239 -7.623 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.736 2.613 -7.916 1.00 0.00 H new ATOM 387 N CYS A 33 5.863 6.616 -4.194 1.00 0.00 N ATOM 388 CA CYS A 33 4.796 7.359 -4.818 1.00 0.00 C ATOM 389 C CYS A 33 4.639 8.751 -4.223 1.00 0.00 C ATOM 390 O CYS A 33 4.354 9.684 -4.927 1.00 0.00 O ATOM 391 CB CYS A 33 3.492 6.593 -4.685 1.00 0.00 C ATOM 392 SG CYS A 33 3.471 5.023 -5.564 1.00 0.00 S ATOM 0 H CYS A 33 5.544 5.794 -3.681 1.00 0.00 H new ATOM 0 HA CYS A 33 5.053 7.480 -5.870 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.297 6.409 -3.629 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.678 7.216 -5.055 1.00 0.00 H new ATOM 0 HG CYS A 33 4.346 4.219 -5.037 1.00 0.00 H new ATOM 398 N LEU A 34 4.823 8.860 -2.929 1.00 0.00 N ATOM 399 CA LEU A 34 4.692 10.131 -2.222 1.00 0.00 C ATOM 400 C LEU A 34 5.921 11.016 -2.374 1.00 0.00 C ATOM 401 O LEU A 34 5.846 12.227 -2.168 1.00 0.00 O ATOM 402 CB LEU A 34 4.393 9.900 -0.757 1.00 0.00 C ATOM 403 CG LEU A 34 3.096 9.180 -0.448 1.00 0.00 C ATOM 404 CD1 LEU A 34 2.964 8.986 1.041 1.00 0.00 C ATOM 405 CD2 LEU A 34 1.912 9.954 -0.979 1.00 0.00 C ATOM 0 H LEU A 34 5.069 8.074 -2.327 1.00 0.00 H new ATOM 0 HA LEU A 34 3.856 10.659 -2.681 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.214 9.328 -0.325 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.378 10.866 -0.253 1.00 0.00 H new ATOM 0 HG LEU A 34 3.113 8.207 -0.938 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.030 8.468 1.259 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.802 8.392 1.406 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.964 9.957 1.536 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.992 9.418 -0.745 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.885 10.940 -0.516 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.004 10.063 -2.060 1.00 0.00 H new ATOM 417 N ASN A 35 7.056 10.409 -2.678 1.00 0.00 N ATOM 418 CA ASN A 35 8.295 11.159 -2.973 1.00 0.00 C ATOM 419 C ASN A 35 8.164 12.418 -3.857 1.00 0.00 C ATOM 420 O ASN A 35 8.682 13.464 -3.489 1.00 0.00 O ATOM 421 CB ASN A 35 9.393 10.268 -3.467 1.00 0.00 C ATOM 422 CG ASN A 35 10.192 9.936 -2.304 1.00 0.00 C ATOM 423 OD1 ASN A 35 11.213 10.555 -2.031 1.00 0.00 O ATOM 424 ND2 ASN A 35 9.688 9.077 -1.535 1.00 0.00 N ATOM 0 H ASN A 35 7.159 9.396 -2.731 1.00 0.00 H new ATOM 0 HA ASN A 35 8.560 11.559 -1.994 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.987 9.369 -3.931 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.995 10.773 -4.223 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.132 8.871 -0.640 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.836 8.587 -1.807 1.00 0.00 H new ATOM 431 N PRO A 36 7.475 12.369 -5.031 1.00 0.00 N ATOM 432 CA PRO A 36 7.285 13.568 -5.868 1.00 0.00 C ATOM 433 C PRO A 36 6.349 14.608 -5.223 1.00 0.00 C ATOM 434 O PRO A 36 6.332 15.771 -5.611 1.00 0.00 O ATOM 435 CB PRO A 36 6.665 13.023 -7.160 1.00 0.00 C ATOM 436 CG PRO A 36 6.046 11.730 -6.772 1.00 0.00 C ATOM 437 CD PRO A 36 6.897 11.170 -5.672 1.00 0.00 C ATOM 0 HA PRO A 36 8.227 14.095 -6.021 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.922 13.711 -7.563 1.00 0.00 H new ATOM 0 HB3 PRO A 36 7.421 12.883 -7.932 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.020 11.876 -6.434 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.008 11.047 -7.621 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.306 10.585 -4.967 1.00 0.00 H new ATOM 0 HD3 PRO A 36 7.673 10.511 -6.062 1.00 0.00 H new ATOM 445 N TYR A 37 5.603 14.187 -4.227 1.00 0.00 N ATOM 446 CA TYR A 37 4.659 15.064 -3.567 1.00 0.00 C ATOM 447 C TYR A 37 5.327 15.843 -2.470 1.00 0.00 C ATOM 448 O TYR A 37 4.891 16.918 -2.117 1.00 0.00 O ATOM 449 CB TYR A 37 3.463 14.286 -3.008 1.00 0.00 C ATOM 450 CG TYR A 37 2.609 13.611 -4.055 1.00 0.00 C ATOM 451 CD1 TYR A 37 2.977 12.406 -4.590 1.00 0.00 C ATOM 452 CD2 TYR A 37 1.430 14.186 -4.496 1.00 0.00 C ATOM 453 CE1 TYR A 37 2.217 11.781 -5.542 1.00 0.00 C ATOM 454 CE2 TYR A 37 0.646 13.575 -5.446 1.00 0.00 C ATOM 455 CZ TYR A 37 1.050 12.363 -5.976 1.00 0.00 C ATOM 456 OH TYR A 37 0.284 11.729 -6.940 1.00 0.00 O ATOM 0 H TYR A 37 5.631 13.238 -3.854 1.00 0.00 H new ATOM 0 HA TYR A 37 4.288 15.762 -4.317 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.830 13.530 -2.314 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.838 14.969 -2.433 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.889 11.937 -4.253 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.119 15.135 -4.085 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.534 10.833 -5.951 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.274 14.036 -5.774 1.00 0.00 H new ATOM 0 HH TYR A 37 0.400 10.759 -6.864 1.00 0.00 H new ATOM 466 N ARG A 38 6.401 15.321 -1.936 1.00 0.00 N ATOM 467 CA ARG A 38 7.094 16.006 -0.844 1.00 0.00 C ATOM 468 C ARG A 38 8.085 17.031 -1.379 1.00 0.00 C ATOM 469 O ARG A 38 8.753 17.747 -0.615 1.00 0.00 O ATOM 470 CB ARG A 38 7.797 15.023 0.065 1.00 0.00 C ATOM 471 CG ARG A 38 8.907 14.258 -0.600 1.00 0.00 C ATOM 472 CD ARG A 38 9.600 13.383 0.407 1.00 0.00 C ATOM 473 NE ARG A 38 10.771 12.677 -0.125 1.00 0.00 N ATOM 474 CZ ARG A 38 11.963 12.614 0.491 1.00 0.00 C ATOM 475 NH1 ARG A 38 12.188 13.336 1.599 1.00 0.00 N ATOM 476 NH2 ARG A 38 12.931 11.849 -0.010 1.00 0.00 N ATOM 0 H ARG A 38 6.820 14.437 -2.225 1.00 0.00 H new ATOM 0 HA ARG A 38 6.338 16.530 -0.259 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.204 15.562 0.920 1.00 0.00 H new ATOM 0 HB3 ARG A 38 7.064 14.315 0.453 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.506 13.648 -1.410 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.621 14.950 -1.046 1.00 0.00 H new ATOM 0 HD2 ARG A 38 9.911 13.996 1.253 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.888 12.650 0.788 1.00 0.00 H new ATOM 0 HE ARG A 38 10.673 12.202 -1.023 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.453 13.935 1.976 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.094 13.286 2.065 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.767 11.311 -0.861 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.836 11.801 0.457 1.00 0.00 H new ATOM 490 N LYS A 39 8.163 17.098 -2.675 1.00 0.00 N ATOM 491 CA LYS A 39 9.007 18.046 -3.369 1.00 0.00 C ATOM 492 C LYS A 39 8.433 19.451 -3.210 1.00 0.00 C ATOM 493 O LYS A 39 7.215 19.628 -3.188 1.00 0.00 O ATOM 494 CB LYS A 39 9.071 17.697 -4.855 1.00 0.00 C ATOM 495 CG LYS A 39 9.618 16.321 -5.141 1.00 0.00 C ATOM 496 CD LYS A 39 11.039 16.187 -4.664 1.00 0.00 C ATOM 497 CE LYS A 39 11.538 14.779 -4.859 1.00 0.00 C ATOM 498 NZ LYS A 39 12.952 14.625 -4.458 1.00 0.00 N ATOM 0 H LYS A 39 7.635 16.487 -3.298 1.00 0.00 H new ATOM 0 HA LYS A 39 10.010 18.006 -2.944 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.070 17.774 -5.279 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.690 18.436 -5.364 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.996 15.571 -4.652 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.572 16.124 -6.212 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.677 16.883 -5.209 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.100 16.457 -3.610 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.921 14.093 -4.278 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.427 14.498 -5.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.251 13.640 -4.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.546 15.259 -5.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.056 14.867 -3.452 1.00 0.00 H new ATOM 512 N PRO A 40 9.286 20.472 -3.128 1.00 0.00 N ATOM 513 CA PRO A 40 8.837 21.854 -2.940 1.00 0.00 C ATOM 514 C PRO A 40 8.108 22.410 -4.166 1.00 0.00 C ATOM 515 O PRO A 40 7.396 23.402 -4.073 1.00 0.00 O ATOM 516 CB PRO A 40 10.137 22.626 -2.693 1.00 0.00 C ATOM 517 CG PRO A 40 11.191 21.809 -3.354 1.00 0.00 C ATOM 518 CD PRO A 40 10.761 20.378 -3.202 1.00 0.00 C ATOM 0 HA PRO A 40 8.117 21.935 -2.126 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.089 23.629 -3.117 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.334 22.740 -1.627 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.290 22.077 -4.406 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.163 21.976 -2.889 1.00 0.00 H new ATOM 0 HD2 PRO A 40 11.083 19.769 -4.047 1.00 0.00 H new ATOM 0 HD3 PRO A 40 11.181 19.925 -2.304 1.00 0.00 H new ATOM 526 N ASP A 41 8.251 21.746 -5.300 1.00 0.00 N ATOM 527 CA ASP A 41 7.630 22.208 -6.535 1.00 0.00 C ATOM 528 C ASP A 41 6.408 21.342 -6.850 1.00 0.00 C ATOM 529 O ASP A 41 5.856 21.384 -7.952 1.00 0.00 O ATOM 530 CB ASP A 41 8.664 22.188 -7.686 1.00 0.00 C ATOM 531 CG ASP A 41 8.183 22.858 -8.973 1.00 0.00 C ATOM 532 OD1 ASP A 41 8.054 24.108 -8.998 1.00 0.00 O ATOM 533 OD2 ASP A 41 7.970 22.159 -9.990 1.00 0.00 O ATOM 0 H ASP A 41 8.791 20.886 -5.394 1.00 0.00 H new ATOM 0 HA ASP A 41 7.290 23.237 -6.417 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.575 22.684 -7.350 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.927 21.153 -7.905 1.00 0.00 H new ATOM 538 N CYS A 42 5.989 20.547 -5.856 1.00 0.00 N ATOM 539 CA CYS A 42 4.823 19.698 -5.988 1.00 0.00 C ATOM 540 C CYS A 42 3.604 20.539 -6.358 1.00 0.00 C ATOM 541 O CYS A 42 3.340 21.589 -5.739 1.00 0.00 O ATOM 542 CB CYS A 42 4.554 18.945 -4.705 1.00 0.00 C ATOM 543 SG CYS A 42 3.193 17.771 -4.815 1.00 0.00 S ATOM 0 H CYS A 42 6.452 20.483 -4.950 1.00 0.00 H new ATOM 0 HA CYS A 42 5.017 18.973 -6.779 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.458 18.411 -4.413 1.00 0.00 H new ATOM 0 HB3 CYS A 42 4.338 19.662 -3.913 1.00 0.00 H new ATOM 0 HG CYS A 42 3.352 17.019 -5.864 1.00 0.00 H new ATOM 549 N LYS A 43 2.890 20.086 -7.358 1.00 0.00 N ATOM 550 CA LYS A 43 1.757 20.792 -7.892 1.00 0.00 C ATOM 551 C LYS A 43 0.497 20.495 -7.122 1.00 0.00 C ATOM 552 O LYS A 43 -0.368 21.357 -6.957 1.00 0.00 O ATOM 553 CB LYS A 43 1.557 20.393 -9.332 1.00 0.00 C ATOM 554 CG LYS A 43 2.695 20.812 -10.226 1.00 0.00 C ATOM 555 CD LYS A 43 2.501 20.319 -11.635 1.00 0.00 C ATOM 556 CE LYS A 43 1.246 20.897 -12.297 1.00 0.00 C ATOM 557 NZ LYS A 43 1.254 22.377 -12.329 1.00 0.00 N ATOM 0 H LYS A 43 3.084 19.203 -7.830 1.00 0.00 H new ATOM 0 HA LYS A 43 1.960 21.860 -7.811 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.437 19.311 -9.390 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.632 20.836 -9.700 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.776 21.899 -10.228 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.633 20.423 -9.829 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.375 20.582 -12.231 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.435 19.231 -11.629 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.167 20.515 -13.315 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.363 20.553 -11.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.466 22.716 -12.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.148 22.746 -11.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.154 22.711 -12.730 1.00 0.00 H new ATOM 571 N VAL A 44 0.396 19.289 -6.646 1.00 0.00 N ATOM 572 CA VAL A 44 -0.800 18.845 -5.999 1.00 0.00 C ATOM 573 C VAL A 44 -0.478 17.891 -4.873 1.00 0.00 C ATOM 574 O VAL A 44 0.209 16.902 -5.074 1.00 0.00 O ATOM 575 CB VAL A 44 -1.789 18.203 -7.031 1.00 0.00 C ATOM 576 CG1 VAL A 44 -1.147 17.068 -7.818 1.00 0.00 C ATOM 577 CG2 VAL A 44 -3.069 17.739 -6.364 1.00 0.00 C ATOM 0 H VAL A 44 1.137 18.590 -6.695 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.296 19.713 -5.565 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.044 18.988 -7.743 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.872 16.656 -8.520 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.286 17.448 -8.368 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.823 16.287 -7.131 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.730 17.299 -7.111 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.834 16.994 -5.604 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.565 18.590 -5.897 1.00 0.00 H new ATOM 587 N GLY A 45 -0.964 18.213 -3.696 1.00 0.00 N ATOM 588 CA GLY A 45 -0.724 17.392 -2.539 1.00 0.00 C ATOM 589 C GLY A 45 0.736 17.457 -2.093 1.00 0.00 C ATOM 590 O GLY A 45 1.373 16.442 -1.916 1.00 0.00 O ATOM 0 H GLY A 45 -1.530 19.042 -3.518 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.369 17.717 -1.722 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.990 16.359 -2.764 1.00 0.00 H new ATOM 594 N ARG A 46 1.278 18.652 -1.934 1.00 0.00 N ATOM 595 CA ARG A 46 2.663 18.802 -1.500 1.00 0.00 C ATOM 596 C ARG A 46 2.804 18.410 -0.039 1.00 0.00 C ATOM 597 O ARG A 46 2.220 19.046 0.830 1.00 0.00 O ATOM 598 CB ARG A 46 3.140 20.245 -1.664 1.00 0.00 C ATOM 599 CG ARG A 46 4.628 20.424 -1.392 1.00 0.00 C ATOM 600 CD ARG A 46 5.018 21.882 -1.317 1.00 0.00 C ATOM 601 NE ARG A 46 4.629 22.665 -2.500 1.00 0.00 N ATOM 602 CZ ARG A 46 4.608 24.019 -2.534 1.00 0.00 C ATOM 603 NH1 ARG A 46 4.872 24.729 -1.436 1.00 0.00 N ATOM 604 NH2 ARG A 46 4.297 24.649 -3.657 1.00 0.00 N ATOM 0 H ARG A 46 0.786 19.531 -2.097 1.00 0.00 H new ATOM 0 HA ARG A 46 3.273 18.149 -2.124 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.921 20.580 -2.678 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.575 20.886 -0.988 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.887 19.931 -0.455 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.202 19.935 -2.179 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.560 22.326 -0.433 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.098 21.953 -1.186 1.00 0.00 H new ATOM 0 HE ARG A 46 4.359 22.159 -3.344 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.092 24.253 -0.561 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.854 25.748 -1.471 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.073 24.115 -4.496 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.281 25.669 -3.682 1.00 0.00 H new ATOM 618 N ILE A 47 3.566 17.387 0.228 1.00 0.00 N ATOM 619 CA ILE A 47 3.766 16.936 1.580 1.00 0.00 C ATOM 620 C ILE A 47 4.691 17.866 2.323 1.00 0.00 C ATOM 621 O ILE A 47 5.863 18.021 1.969 1.00 0.00 O ATOM 622 CB ILE A 47 4.280 15.488 1.663 1.00 0.00 C ATOM 623 CG1 ILE A 47 3.330 14.566 0.894 1.00 0.00 C ATOM 624 CG2 ILE A 47 4.401 15.067 3.112 1.00 0.00 C ATOM 625 CD1 ILE A 47 3.741 13.124 0.884 1.00 0.00 C ATOM 0 H ILE A 47 4.064 16.844 -0.478 1.00 0.00 H new ATOM 0 HA ILE A 47 2.786 16.949 2.056 1.00 0.00 H new ATOM 0 HB ILE A 47 5.269 15.419 1.210 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.334 14.645 1.330 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.256 14.917 -0.135 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.765 14.041 3.164 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.101 15.727 3.625 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.424 15.130 3.592 1.00 0.00 H new ATOM 0 HD11 ILE A 47 3.013 12.542 0.318 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.722 13.029 0.419 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.787 12.752 1.907 1.00 0.00 H new ATOM 637 N THR A 48 4.146 18.467 3.326 1.00 0.00 N ATOM 638 CA THR A 48 4.791 19.421 4.178 1.00 0.00 C ATOM 639 C THR A 48 6.006 18.878 4.911 1.00 0.00 C ATOM 640 O THR A 48 7.149 19.320 4.694 1.00 0.00 O ATOM 641 CB THR A 48 3.764 19.850 5.211 1.00 0.00 C ATOM 642 OG1 THR A 48 2.998 18.679 5.580 1.00 0.00 O ATOM 643 CG2 THR A 48 2.846 20.846 4.628 1.00 0.00 C ATOM 0 H THR A 48 3.176 18.297 3.594 1.00 0.00 H new ATOM 0 HA THR A 48 5.151 20.237 3.552 1.00 0.00 H new ATOM 0 HB THR A 48 4.264 20.288 6.075 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.155 18.470 6.524 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.113 21.147 5.377 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.414 21.718 4.304 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.332 20.409 3.772 1.00 0.00 H new ATOM 651 N THR A 49 5.770 17.908 5.730 1.00 0.00 N ATOM 652 CA THR A 49 6.770 17.471 6.655 1.00 0.00 C ATOM 653 C THR A 49 6.973 15.978 6.525 1.00 0.00 C ATOM 654 O THR A 49 6.101 15.272 6.028 1.00 0.00 O ATOM 655 CB THR A 49 6.288 17.781 8.092 1.00 0.00 C ATOM 656 OG1 THR A 49 5.459 18.953 8.075 1.00 0.00 O ATOM 657 CG2 THR A 49 7.462 18.029 9.028 1.00 0.00 C ATOM 0 H THR A 49 4.888 17.398 5.780 1.00 0.00 H new ATOM 0 HA THR A 49 7.707 17.986 6.445 1.00 0.00 H new ATOM 0 HB THR A 49 5.728 16.918 8.453 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.525 18.691 7.935 1.00 0.00 H new ATOM 0 HG21 THR A 49 7.090 18.244 10.030 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.096 17.143 9.059 1.00 0.00 H new ATOM 0 HG23 THR A 49 8.042 18.878 8.667 1.00 0.00 H new ATOM 665 N THR A 50 8.101 15.509 6.979 1.00 0.00 N ATOM 666 CA THR A 50 8.430 14.114 6.969 1.00 0.00 C ATOM 667 C THR A 50 7.428 13.305 7.807 1.00 0.00 C ATOM 668 O THR A 50 7.025 12.214 7.418 1.00 0.00 O ATOM 669 CB THR A 50 9.867 13.931 7.500 1.00 0.00 C ATOM 670 OG1 THR A 50 10.306 12.582 7.357 1.00 0.00 O ATOM 671 CG2 THR A 50 9.995 14.369 8.944 1.00 0.00 C ATOM 0 H THR A 50 8.832 16.100 7.375 1.00 0.00 H new ATOM 0 HA THR A 50 8.373 13.740 5.947 1.00 0.00 H new ATOM 0 HB THR A 50 10.508 14.571 6.894 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.214 12.494 7.715 1.00 0.00 H new ATOM 0 HG21 THR A 50 11.022 14.224 9.279 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.731 15.423 9.029 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.324 13.776 9.565 1.00 0.00 H new ATOM 679 N GLU A 51 7.010 13.873 8.941 1.00 0.00 N ATOM 680 CA GLU A 51 6.016 13.249 9.802 1.00 0.00 C ATOM 681 C GLU A 51 4.711 13.089 9.046 1.00 0.00 C ATOM 682 O GLU A 51 4.009 12.096 9.213 1.00 0.00 O ATOM 683 CB GLU A 51 5.788 14.059 11.082 1.00 0.00 C ATOM 684 CG GLU A 51 5.293 15.477 10.823 1.00 0.00 C ATOM 685 CD GLU A 51 4.936 16.215 12.067 1.00 0.00 C ATOM 686 OE1 GLU A 51 3.764 16.128 12.510 1.00 0.00 O ATOM 687 OE2 GLU A 51 5.799 16.910 12.614 1.00 0.00 O ATOM 0 H GLU A 51 7.351 14.772 9.282 1.00 0.00 H new ATOM 0 HA GLU A 51 6.392 12.269 10.095 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.063 13.538 11.708 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.720 14.105 11.645 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.065 16.032 10.289 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.421 15.436 10.171 1.00 0.00 H new ATOM 694 N ASP A 52 4.418 14.041 8.181 1.00 0.00 N ATOM 695 CA ASP A 52 3.203 14.032 7.404 1.00 0.00 C ATOM 696 C ASP A 52 3.314 13.026 6.310 1.00 0.00 C ATOM 697 O ASP A 52 2.388 12.252 6.062 1.00 0.00 O ATOM 698 CB ASP A 52 2.948 15.420 6.815 1.00 0.00 C ATOM 699 CG ASP A 52 2.523 16.450 7.837 1.00 0.00 C ATOM 700 OD1 ASP A 52 1.486 16.266 8.507 1.00 0.00 O ATOM 701 OD2 ASP A 52 3.245 17.461 8.012 1.00 0.00 O ATOM 0 H ASP A 52 5.021 14.843 8.000 1.00 0.00 H new ATOM 0 HA ASP A 52 2.367 13.766 8.051 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.855 15.766 6.320 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.177 15.343 6.049 1.00 0.00 H new ATOM 706 N PHE A 53 4.479 13.006 5.699 1.00 0.00 N ATOM 707 CA PHE A 53 4.824 12.067 4.657 1.00 0.00 C ATOM 708 C PHE A 53 4.621 10.624 5.176 1.00 0.00 C ATOM 709 O PHE A 53 3.890 9.826 4.584 1.00 0.00 O ATOM 710 CB PHE A 53 6.288 12.299 4.225 1.00 0.00 C ATOM 711 CG PHE A 53 6.818 11.316 3.240 1.00 0.00 C ATOM 712 CD1 PHE A 53 7.366 10.129 3.671 1.00 0.00 C ATOM 713 CD2 PHE A 53 6.757 11.570 1.895 1.00 0.00 C ATOM 714 CE1 PHE A 53 7.839 9.214 2.784 1.00 0.00 C ATOM 715 CE2 PHE A 53 7.236 10.659 0.991 1.00 0.00 C ATOM 716 CZ PHE A 53 7.775 9.479 1.431 1.00 0.00 C ATOM 0 H PHE A 53 5.230 13.659 5.920 1.00 0.00 H new ATOM 0 HA PHE A 53 4.179 12.215 3.791 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.371 13.299 3.798 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.920 12.278 5.113 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.421 9.922 4.729 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.327 12.497 1.544 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.262 8.285 3.136 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.189 10.871 -0.067 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.149 8.757 0.720 1.00 0.00 H new ATOM 726 N LYS A 54 5.237 10.346 6.295 1.00 0.00 N ATOM 727 CA LYS A 54 5.194 9.052 6.925 1.00 0.00 C ATOM 728 C LYS A 54 3.801 8.692 7.403 1.00 0.00 C ATOM 729 O LYS A 54 3.354 7.557 7.217 1.00 0.00 O ATOM 730 CB LYS A 54 6.188 9.033 8.075 1.00 0.00 C ATOM 731 CG LYS A 54 7.629 9.020 7.595 1.00 0.00 C ATOM 732 CD LYS A 54 8.599 9.121 8.744 1.00 0.00 C ATOM 733 CE LYS A 54 10.035 8.893 8.292 1.00 0.00 C ATOM 734 NZ LYS A 54 10.470 9.865 7.271 1.00 0.00 N ATOM 0 H LYS A 54 5.796 11.029 6.806 1.00 0.00 H new ATOM 0 HA LYS A 54 5.467 8.297 6.187 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.026 9.907 8.706 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.006 8.155 8.694 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.819 8.103 7.038 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.791 9.850 6.907 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.515 10.105 9.206 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.337 8.388 9.507 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.698 8.957 9.155 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.130 7.884 7.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.492 9.765 7.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.960 9.687 6.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.265 10.830 7.601 1.00 0.00 H new ATOM 748 N HIS A 55 3.089 9.676 7.940 1.00 0.00 N ATOM 749 CA HIS A 55 1.718 9.498 8.432 1.00 0.00 C ATOM 750 C HIS A 55 0.841 9.045 7.286 1.00 0.00 C ATOM 751 O HIS A 55 0.079 8.063 7.395 1.00 0.00 O ATOM 752 CB HIS A 55 1.204 10.838 9.002 1.00 0.00 C ATOM 753 CG HIS A 55 -0.238 10.881 9.451 1.00 0.00 C ATOM 754 ND1 HIS A 55 -0.639 10.704 10.755 1.00 0.00 N ATOM 755 CD2 HIS A 55 -1.375 11.123 8.743 1.00 0.00 C ATOM 756 CE1 HIS A 55 -1.944 10.826 10.841 1.00 0.00 C ATOM 757 NE2 HIS A 55 -2.426 11.081 9.626 1.00 0.00 N ATOM 0 H HIS A 55 3.444 10.626 8.049 1.00 0.00 H new ATOM 0 HA HIS A 55 1.694 8.746 9.221 1.00 0.00 H new ATOM 0 HB2 HIS A 55 1.832 11.109 9.851 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.346 11.607 8.242 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -0.016 10.507 11.538 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -1.439 11.313 7.682 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -2.528 10.735 11.745 1.00 0.00 H new ATOM 765 N LEU A 56 0.955 9.731 6.203 1.00 0.00 N ATOM 766 CA LEU A 56 0.163 9.431 5.071 1.00 0.00 C ATOM 767 C LEU A 56 0.574 8.144 4.425 1.00 0.00 C ATOM 768 O LEU A 56 -0.291 7.362 4.065 1.00 0.00 O ATOM 769 CB LEU A 56 0.213 10.514 4.066 1.00 0.00 C ATOM 770 CG LEU A 56 -0.921 10.473 3.084 1.00 0.00 C ATOM 771 CD1 LEU A 56 -2.254 10.800 3.749 1.00 0.00 C ATOM 772 CD2 LEU A 56 -0.614 11.377 1.945 1.00 0.00 C ATOM 0 H LEU A 56 1.599 10.513 6.081 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.859 9.331 5.436 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.204 11.476 4.579 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.156 10.451 3.523 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.026 9.459 2.698 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.051 10.760 3.006 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.456 10.074 4.536 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.210 11.800 4.180 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.435 11.351 1.228 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.486 12.395 2.313 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.304 11.049 1.457 1.00 0.00 H new ATOM 784 N ALA A 57 1.880 7.899 4.303 1.00 0.00 N ATOM 785 CA ALA A 57 2.364 6.634 3.709 1.00 0.00 C ATOM 786 C ALA A 57 1.749 5.448 4.452 1.00 0.00 C ATOM 787 O ALA A 57 1.257 4.486 3.832 1.00 0.00 O ATOM 788 CB ALA A 57 3.882 6.553 3.691 1.00 0.00 C ATOM 0 H ALA A 57 2.616 8.541 4.599 1.00 0.00 H new ATOM 0 HA ALA A 57 2.044 6.603 2.667 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.191 5.607 3.246 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.283 7.379 3.103 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.262 6.615 4.711 1.00 0.00 H new ATOM 794 N ARG A 58 1.684 5.578 5.770 1.00 0.00 N ATOM 795 CA ARG A 58 1.080 4.548 6.616 1.00 0.00 C ATOM 796 C ARG A 58 -0.406 4.445 6.321 1.00 0.00 C ATOM 797 O ARG A 58 -0.943 3.345 6.120 1.00 0.00 O ATOM 798 CB ARG A 58 1.229 4.885 8.093 1.00 0.00 C ATOM 799 CG ARG A 58 2.639 4.959 8.606 1.00 0.00 C ATOM 800 CD ARG A 58 2.635 5.450 10.031 1.00 0.00 C ATOM 801 NE ARG A 58 3.985 5.624 10.572 1.00 0.00 N ATOM 802 CZ ARG A 58 4.264 5.921 11.851 1.00 0.00 C ATOM 803 NH1 ARG A 58 3.294 5.954 12.763 1.00 0.00 N ATOM 804 NH2 ARG A 58 5.510 6.156 12.214 1.00 0.00 N ATOM 0 H ARG A 58 2.041 6.386 6.280 1.00 0.00 H new ATOM 0 HA ARG A 58 1.592 3.610 6.400 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.744 5.843 8.279 1.00 0.00 H new ATOM 0 HB3 ARG A 58 0.690 4.137 8.674 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.109 3.977 8.551 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.229 5.630 7.981 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.102 6.399 10.082 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.087 4.743 10.653 1.00 0.00 H new ATOM 0 HE ARG A 58 4.770 5.511 9.930 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.332 5.753 12.491 1.00 0.00 H new ATOM 0 HH12 ARG A 58 3.514 6.180 13.733 1.00 0.00 H new ATOM 0 HH21 ARG A 58 6.259 6.112 11.523 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.724 6.382 13.185 1.00 0.00 H new ATOM 818 N LYS A 59 -1.058 5.604 6.237 1.00 0.00 N ATOM 819 CA LYS A 59 -2.497 5.649 6.089 1.00 0.00 C ATOM 820 C LYS A 59 -2.935 5.056 4.746 1.00 0.00 C ATOM 821 O LYS A 59 -3.892 4.282 4.674 1.00 0.00 O ATOM 822 CB LYS A 59 -2.980 7.096 6.280 1.00 0.00 C ATOM 823 CG LYS A 59 -4.481 7.314 6.149 1.00 0.00 C ATOM 824 CD LYS A 59 -4.878 8.709 6.622 1.00 0.00 C ATOM 825 CE LYS A 59 -4.802 8.830 8.149 1.00 0.00 C ATOM 826 NZ LYS A 59 -5.105 10.199 8.623 1.00 0.00 N ATOM 0 H LYS A 59 -0.606 6.518 6.270 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.963 5.031 6.857 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.667 7.437 7.267 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.475 7.728 5.549 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.781 7.180 5.110 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.013 6.564 6.734 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.222 9.449 6.165 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.892 8.932 6.289 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.503 8.128 8.602 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.805 8.545 8.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.258 10.608 9.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.394 10.789 7.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.876 10.162 9.319 1.00 0.00 H new ATOM 840 N LEU A 60 -2.204 5.385 3.708 1.00 0.00 N ATOM 841 CA LEU A 60 -2.497 4.907 2.366 1.00 0.00 C ATOM 842 C LEU A 60 -2.254 3.423 2.251 1.00 0.00 C ATOM 843 O LEU A 60 -3.067 2.704 1.656 1.00 0.00 O ATOM 844 CB LEU A 60 -1.665 5.686 1.387 1.00 0.00 C ATOM 845 CG LEU A 60 -1.902 7.168 1.495 1.00 0.00 C ATOM 846 CD1 LEU A 60 -0.793 7.955 0.850 1.00 0.00 C ATOM 847 CD2 LEU A 60 -3.236 7.521 0.901 1.00 0.00 C ATOM 0 H LEU A 60 -1.387 5.992 3.764 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.552 5.065 2.142 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.610 5.475 1.560 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.894 5.356 0.374 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.910 7.436 2.552 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.999 9.021 0.948 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.152 7.721 1.341 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.728 7.693 -0.206 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.398 8.596 0.984 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.255 7.231 -0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.024 6.993 1.437 1.00 0.00 H new ATOM 859 N THR A 61 -1.140 2.958 2.852 1.00 0.00 N ATOM 860 CA THR A 61 -0.826 1.533 2.869 1.00 0.00 C ATOM 861 C THR A 61 -1.967 0.796 3.513 1.00 0.00 C ATOM 862 O THR A 61 -2.429 -0.233 3.028 1.00 0.00 O ATOM 863 CB THR A 61 0.483 1.245 3.663 1.00 0.00 C ATOM 864 OG1 THR A 61 1.570 1.972 3.084 1.00 0.00 O ATOM 865 CG2 THR A 61 0.822 -0.247 3.648 1.00 0.00 C ATOM 0 H THR A 61 -0.456 3.549 3.324 1.00 0.00 H new ATOM 0 HA THR A 61 -0.678 1.199 1.842 1.00 0.00 H new ATOM 0 HB THR A 61 0.325 1.560 4.695 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.603 2.873 3.468 1.00 0.00 H new ATOM 0 HG21 THR A 61 1.740 -0.417 4.210 1.00 0.00 H new ATOM 0 HG22 THR A 61 0.008 -0.810 4.104 1.00 0.00 H new ATOM 0 HG23 THR A 61 0.960 -0.578 2.619 1.00 0.00 H new ATOM 873 N HIS A 62 -2.474 1.400 4.549 1.00 0.00 N ATOM 874 CA HIS A 62 -3.531 0.813 5.336 1.00 0.00 C ATOM 875 C HIS A 62 -4.852 0.763 4.539 1.00 0.00 C ATOM 876 O HIS A 62 -5.615 -0.203 4.664 1.00 0.00 O ATOM 877 CB HIS A 62 -3.666 1.572 6.670 1.00 0.00 C ATOM 878 CG HIS A 62 -4.699 1.076 7.652 1.00 0.00 C ATOM 879 ND1 HIS A 62 -4.378 0.396 8.807 1.00 0.00 N ATOM 880 CD2 HIS A 62 -6.047 1.215 7.671 1.00 0.00 C ATOM 881 CE1 HIS A 62 -5.471 0.134 9.484 1.00 0.00 C ATOM 882 NE2 HIS A 62 -6.500 0.618 8.818 1.00 0.00 N ATOM 0 H HIS A 62 -2.168 2.316 4.876 1.00 0.00 H new ATOM 0 HA HIS A 62 -3.280 -0.222 5.570 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.695 1.556 7.166 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.891 2.614 6.443 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -6.651 1.705 6.922 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -5.519 -0.390 10.427 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -7.476 0.558 9.109 1.00 0.00 H new ATOM 890 N GLY A 63 -5.104 1.767 3.722 1.00 0.00 N ATOM 891 CA GLY A 63 -6.338 1.813 2.961 1.00 0.00 C ATOM 892 C GLY A 63 -6.377 0.830 1.804 1.00 0.00 C ATOM 893 O GLY A 63 -7.401 0.170 1.592 1.00 0.00 O ATOM 0 H GLY A 63 -4.476 2.556 3.568 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.175 1.608 3.629 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.479 2.822 2.574 1.00 0.00 H new ATOM 897 N VAL A 64 -5.257 0.687 1.080 1.00 0.00 N ATOM 898 CA VAL A 64 -5.205 -0.258 -0.062 1.00 0.00 C ATOM 899 C VAL A 64 -5.309 -1.668 0.484 1.00 0.00 C ATOM 900 O VAL A 64 -6.061 -2.497 -0.020 1.00 0.00 O ATOM 901 CB VAL A 64 -3.888 -0.125 -0.896 1.00 0.00 C ATOM 902 CG1 VAL A 64 -3.839 -1.157 -2.049 1.00 0.00 C ATOM 903 CG2 VAL A 64 -3.746 1.285 -1.447 1.00 0.00 C ATOM 0 H VAL A 64 -4.391 1.197 1.253 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.033 -0.025 -0.732 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.052 -0.330 -0.227 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.911 -1.035 -2.607 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.886 -2.165 -1.637 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.686 -0.998 -2.716 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.824 1.359 -2.024 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.596 1.512 -2.090 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.715 1.997 -0.622 1.00 0.00 H new ATOM 913 N MET A 65 -4.646 -1.855 1.604 1.00 0.00 N ATOM 914 CA MET A 65 -4.582 -3.127 2.290 1.00 0.00 C ATOM 915 C MET A 65 -5.975 -3.553 2.729 1.00 0.00 C ATOM 916 O MET A 65 -6.381 -4.687 2.527 1.00 0.00 O ATOM 917 CB MET A 65 -3.629 -3.003 3.465 1.00 0.00 C ATOM 918 CG MET A 65 -3.562 -4.170 4.392 1.00 0.00 C ATOM 919 SD MET A 65 -2.220 -3.945 5.562 1.00 0.00 S ATOM 920 CE MET A 65 -2.651 -5.169 6.749 1.00 0.00 C ATOM 0 H MET A 65 -4.126 -1.113 2.073 1.00 0.00 H new ATOM 0 HA MET A 65 -4.205 -3.901 1.621 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.628 -2.819 3.075 1.00 0.00 H new ATOM 0 HB3 MET A 65 -3.912 -2.124 4.043 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.507 -4.277 4.925 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.411 -5.088 3.824 1.00 0.00 H new ATOM 0 HE1 MET A 65 -1.917 -5.169 7.555 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.638 -4.949 7.156 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.666 -6.149 6.272 1.00 0.00 H new ATOM 930 N ASN A 66 -6.706 -2.620 3.295 1.00 0.00 N ATOM 931 CA ASN A 66 -8.078 -2.851 3.717 1.00 0.00 C ATOM 932 C ASN A 66 -8.990 -3.145 2.545 1.00 0.00 C ATOM 933 O ASN A 66 -9.804 -4.071 2.611 1.00 0.00 O ATOM 934 CB ASN A 66 -8.599 -1.690 4.533 1.00 0.00 C ATOM 935 CG ASN A 66 -8.449 -1.893 6.005 1.00 0.00 C ATOM 936 OD1 ASN A 66 -9.335 -2.422 6.670 1.00 0.00 O ATOM 937 ND2 ASN A 66 -7.330 -1.492 6.530 1.00 0.00 N ATOM 0 H ASN A 66 -6.369 -1.675 3.478 1.00 0.00 H new ATOM 0 HA ASN A 66 -8.074 -3.737 4.352 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.070 -0.783 4.242 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -9.652 -1.533 4.300 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -7.163 -1.613 7.529 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.618 -1.057 5.943 1.00 0.00 H new ATOM 944 N LYS A 67 -8.833 -2.395 1.472 1.00 0.00 N ATOM 945 CA LYS A 67 -9.638 -2.584 0.278 1.00 0.00 C ATOM 946 C LYS A 67 -9.450 -3.954 -0.312 1.00 0.00 C ATOM 947 O LYS A 67 -10.439 -4.674 -0.608 1.00 0.00 O ATOM 948 CB LYS A 67 -9.387 -1.518 -0.793 1.00 0.00 C ATOM 949 CG LYS A 67 -10.037 -0.179 -0.524 1.00 0.00 C ATOM 950 CD LYS A 67 -9.800 0.781 -1.678 1.00 0.00 C ATOM 951 CE LYS A 67 -10.683 2.019 -1.578 1.00 0.00 C ATOM 952 NZ LYS A 67 -10.457 2.777 -0.339 1.00 0.00 N ATOM 0 H LYS A 67 -8.149 -1.642 1.401 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.671 -2.480 0.608 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.312 -1.370 -0.892 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.747 -1.894 -1.751 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.108 -0.314 -0.372 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.636 0.246 0.396 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.753 1.082 -1.690 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.996 0.271 -2.621 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.494 2.666 -2.435 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.730 1.719 -1.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.993 3.668 -0.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.775 2.214 0.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.443 2.987 -0.240 1.00 0.00 H new ATOM 966 N GLU A 68 -8.226 -4.363 -0.447 1.00 0.00 N ATOM 967 CA GLU A 68 -8.003 -5.603 -1.025 1.00 0.00 C ATOM 968 C GLU A 68 -8.341 -6.700 -0.084 1.00 0.00 C ATOM 969 O GLU A 68 -8.948 -7.619 -0.477 1.00 0.00 O ATOM 970 CB GLU A 68 -6.665 -5.718 -1.672 1.00 0.00 C ATOM 971 CG GLU A 68 -5.476 -5.502 -0.790 1.00 0.00 C ATOM 972 CD GLU A 68 -4.234 -5.536 -1.610 1.00 0.00 C ATOM 973 OE1 GLU A 68 -3.918 -4.511 -2.219 1.00 0.00 O ATOM 974 OE2 GLU A 68 -3.609 -6.620 -1.723 1.00 0.00 O ATOM 0 H GLU A 68 -7.393 -3.848 -0.162 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.693 -5.709 -1.862 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.585 -6.710 -2.116 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -6.618 -4.999 -2.490 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.560 -4.543 -0.278 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.437 -6.272 -0.020 1.00 0.00 H new ATOM 981 N LEU A 69 -8.024 -6.569 1.182 1.00 0.00 N ATOM 982 CA LEU A 69 -8.468 -7.579 2.151 1.00 0.00 C ATOM 983 C LEU A 69 -9.991 -7.698 2.229 1.00 0.00 C ATOM 984 O LEU A 69 -10.509 -8.747 2.608 1.00 0.00 O ATOM 985 CB LEU A 69 -7.906 -7.327 3.551 1.00 0.00 C ATOM 986 CG LEU A 69 -6.431 -7.623 3.759 1.00 0.00 C ATOM 987 CD1 LEU A 69 -5.996 -7.196 5.149 1.00 0.00 C ATOM 988 CD2 LEU A 69 -6.170 -9.103 3.564 1.00 0.00 C ATOM 0 H LEU A 69 -7.477 -5.801 1.571 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.071 -8.523 1.778 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.082 -6.282 3.805 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.476 -7.928 4.260 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.854 -7.059 3.026 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.937 -7.415 5.282 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.163 -6.126 5.270 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.575 -7.740 5.895 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.110 -9.308 3.715 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.756 -9.674 4.284 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.456 -9.393 2.553 1.00 0.00 H new ATOM 1000 N LYS A 70 -10.720 -6.646 1.887 1.00 0.00 N ATOM 1001 CA LYS A 70 -12.155 -6.740 1.940 1.00 0.00 C ATOM 1002 C LYS A 70 -12.752 -7.348 0.686 1.00 0.00 C ATOM 1003 O LYS A 70 -13.807 -7.979 0.742 1.00 0.00 O ATOM 1004 CB LYS A 70 -12.821 -5.434 2.338 1.00 0.00 C ATOM 1005 CG LYS A 70 -12.732 -4.356 1.351 1.00 0.00 C ATOM 1006 CD LYS A 70 -13.487 -3.174 1.825 1.00 0.00 C ATOM 1007 CE LYS A 70 -13.405 -2.106 0.824 1.00 0.00 C ATOM 1008 NZ LYS A 70 -14.174 -0.908 1.191 1.00 0.00 N ATOM 0 H LYS A 70 -10.348 -5.747 1.580 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.376 -7.441 2.745 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.874 -5.630 2.542 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -12.375 -5.088 3.270 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.688 -4.089 1.185 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.131 -4.693 0.394 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -14.529 -3.442 2.002 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.081 -2.828 2.776 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -12.360 -1.830 0.682 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.768 -2.484 -0.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -14.076 -0.191 0.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.177 -1.159 1.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -13.813 -0.525 2.088 1.00 0.00 H new ATOM 1022 N TYR A 71 -12.082 -7.173 -0.437 1.00 0.00 N ATOM 1023 CA TYR A 71 -12.554 -7.743 -1.710 1.00 0.00 C ATOM 1024 C TYR A 71 -11.908 -9.081 -1.981 1.00 0.00 C ATOM 1025 O TYR A 71 -12.522 -9.996 -2.539 1.00 0.00 O ATOM 1026 CB TYR A 71 -12.293 -6.762 -2.864 1.00 0.00 C ATOM 1027 CG TYR A 71 -13.093 -5.471 -2.749 1.00 0.00 C ATOM 1028 CD1 TYR A 71 -14.012 -5.289 -1.722 1.00 0.00 C ATOM 1029 CD2 TYR A 71 -12.929 -4.444 -3.657 1.00 0.00 C ATOM 1030 CE1 TYR A 71 -14.733 -4.151 -1.599 1.00 0.00 C ATOM 1031 CE2 TYR A 71 -13.658 -3.276 -3.544 1.00 0.00 C ATOM 1032 CZ TYR A 71 -14.559 -3.133 -2.511 1.00 0.00 C ATOM 1033 OH TYR A 71 -15.281 -1.962 -2.386 1.00 0.00 O ATOM 0 H TYR A 71 -11.212 -6.645 -0.507 1.00 0.00 H new ATOM 0 HA TYR A 71 -13.629 -7.906 -1.633 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.230 -6.521 -2.894 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -12.536 -7.249 -3.808 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -14.155 -6.080 -1.001 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -12.222 -4.555 -4.466 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -15.441 -4.041 -0.791 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -13.523 -2.480 -4.261 1.00 0.00 H new ATOM 0 HH TYR A 71 -15.037 -1.349 -3.110 1.00 0.00 H new ATOM 1043 N CYS A 72 -10.701 -9.193 -1.555 1.00 0.00 N ATOM 1044 CA CYS A 72 -9.940 -10.388 -1.650 1.00 0.00 C ATOM 1045 C CYS A 72 -10.058 -11.085 -0.335 1.00 0.00 C ATOM 1046 O CYS A 72 -9.368 -10.767 0.648 1.00 0.00 O ATOM 1047 CB CYS A 72 -8.479 -10.090 -1.993 1.00 0.00 C ATOM 1048 SG CYS A 72 -8.236 -9.369 -3.643 1.00 0.00 S ATOM 0 H CYS A 72 -10.196 -8.425 -1.113 1.00 0.00 H new ATOM 0 HA CYS A 72 -10.317 -11.020 -2.453 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -8.074 -9.407 -1.247 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -7.905 -11.014 -1.924 1.00 0.00 H new ATOM 0 HG CYS A 72 -7.168 -9.876 -4.185 1.00 0.00 H new ATOM 1054 N LYS A 73 -10.973 -11.990 -0.303 1.00 0.00 N ATOM 1055 CA LYS A 73 -11.327 -12.713 0.877 1.00 0.00 C ATOM 1056 C LYS A 73 -10.205 -13.626 1.322 1.00 0.00 C ATOM 1057 O LYS A 73 -10.098 -13.974 2.498 1.00 0.00 O ATOM 1058 CB LYS A 73 -12.620 -13.444 0.622 1.00 0.00 C ATOM 1059 CG LYS A 73 -13.781 -12.483 0.334 1.00 0.00 C ATOM 1060 CD LYS A 73 -14.133 -11.665 1.556 1.00 0.00 C ATOM 1061 CE LYS A 73 -15.359 -10.818 1.309 1.00 0.00 C ATOM 1062 NZ LYS A 73 -15.762 -10.085 2.514 1.00 0.00 N ATOM 0 H LYS A 73 -11.516 -12.259 -1.123 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.482 -12.024 1.707 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.492 -14.121 -0.223 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.865 -14.058 1.488 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -13.510 -11.818 -0.486 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.653 -13.050 0.010 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.310 -12.328 2.403 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.292 -11.024 1.823 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -15.158 -10.112 0.503 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.180 -11.454 0.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -16.607 -9.514 2.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -15.978 -10.760 3.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.987 -9.460 2.815 1.00 0.00 H new ATOM 1076 N ASN A 74 -9.341 -13.955 0.409 1.00 0.00 N ATOM 1077 CA ASN A 74 -8.171 -14.714 0.731 1.00 0.00 C ATOM 1078 C ASN A 74 -6.943 -13.829 0.563 1.00 0.00 C ATOM 1079 O ASN A 74 -6.732 -13.238 -0.490 1.00 0.00 O ATOM 1080 CB ASN A 74 -8.049 -16.015 -0.111 1.00 0.00 C ATOM 1081 CG ASN A 74 -8.019 -15.788 -1.617 1.00 0.00 C ATOM 1082 OD1 ASN A 74 -6.962 -15.594 -2.217 1.00 0.00 O ATOM 1083 ND2 ASN A 74 -9.164 -15.833 -2.231 1.00 0.00 N ATOM 0 H ASN A 74 -9.427 -13.706 -0.576 1.00 0.00 H new ATOM 0 HA ASN A 74 -8.251 -15.039 1.768 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -7.140 -16.540 0.183 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.887 -16.669 0.129 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -9.206 -15.705 -3.242 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -10.021 -15.996 -1.702 1.00 0.00 H new ATOM 1090 N PRO A 75 -6.134 -13.667 1.621 1.00 0.00 N ATOM 1091 CA PRO A 75 -4.878 -12.890 1.556 1.00 0.00 C ATOM 1092 C PRO A 75 -3.789 -13.590 0.798 1.00 0.00 C ATOM 1093 O PRO A 75 -2.661 -13.137 0.712 1.00 0.00 O ATOM 1094 CB PRO A 75 -4.453 -12.728 2.949 1.00 0.00 C ATOM 1095 CG PRO A 75 -5.170 -13.814 3.728 1.00 0.00 C ATOM 1096 CD PRO A 75 -6.407 -14.158 2.978 1.00 0.00 C ATOM 0 HA PRO A 75 -5.055 -11.950 1.034 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.372 -12.829 3.042 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.715 -11.739 3.325 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.532 -14.691 3.839 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -5.414 -13.468 4.732 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.595 -15.232 2.986 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -7.285 -13.677 3.410 1.00 0.00 H new ATOM 1104 N GLU A 76 -4.156 -14.685 0.262 1.00 0.00 N ATOM 1105 CA GLU A 76 -3.383 -15.448 -0.673 1.00 0.00 C ATOM 1106 C GLU A 76 -3.286 -14.628 -1.979 1.00 0.00 C ATOM 1107 O GLU A 76 -2.513 -14.922 -2.881 1.00 0.00 O ATOM 1108 CB GLU A 76 -4.123 -16.753 -0.910 1.00 0.00 C ATOM 1109 CG GLU A 76 -3.444 -17.755 -1.795 1.00 0.00 C ATOM 1110 CD GLU A 76 -4.379 -18.871 -2.136 1.00 0.00 C ATOM 1111 OE1 GLU A 76 -4.687 -19.700 -1.255 1.00 0.00 O ATOM 1112 OE2 GLU A 76 -4.873 -18.911 -3.285 1.00 0.00 O ATOM 0 H GLU A 76 -5.059 -15.113 0.467 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.378 -15.661 -0.309 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.307 -17.221 0.057 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.096 -16.520 -1.342 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.100 -17.269 -2.708 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.561 -18.152 -1.294 1.00 0.00 H new ATOM 1119 N ASP A 77 -4.081 -13.584 -2.020 1.00 0.00 N ATOM 1120 CA ASP A 77 -4.162 -12.675 -3.153 1.00 0.00 C ATOM 1121 C ASP A 77 -3.698 -11.287 -2.696 1.00 0.00 C ATOM 1122 O ASP A 77 -3.662 -10.339 -3.459 1.00 0.00 O ATOM 1123 CB ASP A 77 -5.606 -12.621 -3.671 1.00 0.00 C ATOM 1124 CG ASP A 77 -5.757 -11.960 -5.031 1.00 0.00 C ATOM 1125 OD1 ASP A 77 -5.650 -12.673 -6.054 1.00 0.00 O ATOM 1126 OD2 ASP A 77 -6.042 -10.750 -5.109 1.00 0.00 O ATOM 0 H ASP A 77 -4.705 -13.333 -1.253 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.523 -13.022 -3.965 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.998 -13.637 -3.728 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.219 -12.083 -2.948 1.00 0.00 H new ATOM 1131 N LEU A 78 -3.306 -11.204 -1.442 1.00 0.00 N ATOM 1132 CA LEU A 78 -2.848 -9.997 -0.850 1.00 0.00 C ATOM 1133 C LEU A 78 -1.351 -9.943 -1.061 1.00 0.00 C ATOM 1134 O LEU A 78 -0.563 -10.607 -0.353 1.00 0.00 O ATOM 1135 CB LEU A 78 -3.159 -10.053 0.614 1.00 0.00 C ATOM 1136 CG LEU A 78 -2.719 -8.905 1.439 1.00 0.00 C ATOM 1137 CD1 LEU A 78 -3.618 -7.710 1.304 1.00 0.00 C ATOM 1138 CD2 LEU A 78 -2.531 -9.302 2.846 1.00 0.00 C ATOM 0 H LEU A 78 -3.303 -12.000 -0.804 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.323 -9.117 -1.285 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.238 -10.158 0.727 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.706 -10.957 1.022 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.750 -8.591 1.051 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.245 -6.901 1.932 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.636 -7.384 0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.627 -7.977 1.618 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.208 -8.439 3.428 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.472 -9.678 3.247 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.774 -10.084 2.905 1.00 0.00 H new ATOM 1150 N GLU A 79 -0.987 -9.239 -2.059 1.00 0.00 N ATOM 1151 CA GLU A 79 0.338 -9.127 -2.514 1.00 0.00 C ATOM 1152 C GLU A 79 0.522 -7.737 -3.038 1.00 0.00 C ATOM 1153 O GLU A 79 -0.392 -7.183 -3.613 1.00 0.00 O ATOM 1154 CB GLU A 79 0.456 -10.072 -3.670 1.00 0.00 C ATOM 1155 CG GLU A 79 1.766 -10.087 -4.361 1.00 0.00 C ATOM 1156 CD GLU A 79 2.865 -10.556 -3.479 1.00 0.00 C ATOM 1157 OE1 GLU A 79 2.985 -11.766 -3.275 1.00 0.00 O ATOM 1158 OE2 GLU A 79 3.632 -9.718 -2.987 1.00 0.00 O ATOM 0 H GLU A 79 -1.647 -8.693 -2.613 1.00 0.00 H new ATOM 0 HA GLU A 79 1.065 -9.341 -1.731 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.243 -11.080 -3.314 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.315 -9.822 -4.399 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.705 -10.734 -5.236 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.995 -9.084 -4.721 1.00 0.00 H new ATOM 1165 N CYS A 80 1.698 -7.201 -2.898 1.00 0.00 N ATOM 1166 CA CYS A 80 2.000 -5.909 -3.452 1.00 0.00 C ATOM 1167 C CYS A 80 2.392 -6.137 -4.884 1.00 0.00 C ATOM 1168 O CYS A 80 3.566 -6.086 -5.265 1.00 0.00 O ATOM 1169 CB CYS A 80 3.103 -5.154 -2.646 1.00 0.00 C ATOM 1170 SG CYS A 80 3.639 -3.570 -3.353 1.00 0.00 S ATOM 0 H CYS A 80 2.472 -7.641 -2.401 1.00 0.00 H new ATOM 0 HA CYS A 80 1.128 -5.257 -3.393 1.00 0.00 H new ATOM 0 HB2 CYS A 80 2.733 -4.975 -1.637 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.973 -5.805 -2.556 1.00 0.00 H new ATOM 0 HG CYS A 80 4.937 -3.540 -3.416 1.00 0.00 H new ATOM 1176 N ASN A 81 1.411 -6.491 -5.667 1.00 0.00 N ATOM 1177 CA ASN A 81 1.673 -6.845 -7.029 1.00 0.00 C ATOM 1178 C ASN A 81 1.373 -5.686 -7.892 1.00 0.00 C ATOM 1179 O ASN A 81 0.913 -4.667 -7.431 1.00 0.00 O ATOM 1180 CB ASN A 81 0.880 -8.063 -7.506 1.00 0.00 C ATOM 1181 CG ASN A 81 -0.607 -7.738 -7.677 1.00 0.00 C ATOM 1182 OD1 ASN A 81 -1.004 -7.211 -8.627 1.00 0.00 O ATOM 1183 ND2 ASN A 81 -1.388 -8.042 -6.780 1.00 0.00 N ATOM 0 H ASN A 81 0.432 -6.541 -5.386 1.00 0.00 H new ATOM 0 HA ASN A 81 2.726 -7.120 -7.093 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.287 -8.414 -8.454 1.00 0.00 H new ATOM 0 HB3 ASN A 81 0.995 -8.876 -6.789 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.381 -7.830 -6.875 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.044 -8.507 -5.940 1.00 0.00 H new ATOM 1190 N GLU A 82 1.606 -5.895 -9.120 1.00 0.00 N ATOM 1191 CA GLU A 82 1.412 -4.984 -10.187 1.00 0.00 C ATOM 1192 C GLU A 82 0.019 -4.324 -10.158 1.00 0.00 C ATOM 1193 O GLU A 82 -0.095 -3.106 -10.191 1.00 0.00 O ATOM 1194 CB GLU A 82 1.553 -5.780 -11.414 1.00 0.00 C ATOM 1195 CG GLU A 82 1.635 -4.964 -12.640 1.00 0.00 C ATOM 1196 CD GLU A 82 1.752 -5.797 -13.860 1.00 0.00 C ATOM 1197 OE1 GLU A 82 2.858 -6.289 -14.148 1.00 0.00 O ATOM 1198 OE2 GLU A 82 0.742 -5.978 -14.562 1.00 0.00 O ATOM 0 H GLU A 82 1.972 -6.790 -9.445 1.00 0.00 H new ATOM 0 HA GLU A 82 2.133 -4.170 -10.119 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.449 -6.396 -11.337 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.705 -6.460 -11.496 1.00 0.00 H new ATOM 0 HG2 GLU A 82 0.748 -4.335 -12.716 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.495 -4.297 -12.574 1.00 0.00 H new ATOM 1205 N ASN A 83 -0.994 -5.159 -10.116 1.00 0.00 N ATOM 1206 CA ASN A 83 -2.403 -4.778 -10.002 1.00 0.00 C ATOM 1207 C ASN A 83 -2.572 -3.919 -8.803 1.00 0.00 C ATOM 1208 O ASN A 83 -3.124 -2.812 -8.891 1.00 0.00 O ATOM 1209 CB ASN A 83 -3.299 -6.032 -9.811 1.00 0.00 C ATOM 1210 CG ASN A 83 -3.403 -6.899 -11.055 1.00 0.00 C ATOM 1211 OD1 ASN A 83 -4.290 -6.700 -11.888 1.00 0.00 O ATOM 1212 ND2 ASN A 83 -2.535 -7.875 -11.180 1.00 0.00 N ATOM 0 H ASN A 83 -0.864 -6.170 -10.162 1.00 0.00 H new ATOM 0 HA ASN A 83 -2.693 -4.255 -10.913 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.901 -6.632 -8.992 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.299 -5.713 -9.516 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -2.581 -8.498 -11.986 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -1.814 -8.010 -10.471 1.00 0.00 H new ATOM 1219 N VAL A 84 -2.050 -4.400 -7.670 1.00 0.00 N ATOM 1220 CA VAL A 84 -2.175 -3.651 -6.431 1.00 0.00 C ATOM 1221 C VAL A 84 -1.489 -2.294 -6.545 1.00 0.00 C ATOM 1222 O VAL A 84 -2.080 -1.260 -6.224 1.00 0.00 O ATOM 1223 CB VAL A 84 -1.642 -4.459 -5.244 1.00 0.00 C ATOM 1224 CG1 VAL A 84 -1.533 -3.621 -3.996 1.00 0.00 C ATOM 1225 CG2 VAL A 84 -2.560 -5.612 -4.994 1.00 0.00 C ATOM 0 H VAL A 84 -1.549 -5.285 -7.592 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.234 -3.468 -6.248 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.640 -4.810 -5.492 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.151 -4.233 -3.179 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.852 -2.789 -4.175 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.517 -3.234 -3.730 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.190 -6.195 -4.150 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.559 -5.239 -4.768 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.601 -6.244 -5.881 1.00 0.00 H new ATOM 1235 N LYS A 85 -0.276 -2.311 -7.062 1.00 0.00 N ATOM 1236 CA LYS A 85 0.515 -1.110 -7.283 1.00 0.00 C ATOM 1237 C LYS A 85 -0.228 -0.138 -8.118 1.00 0.00 C ATOM 1238 O LYS A 85 -0.374 0.999 -7.733 1.00 0.00 O ATOM 1239 CB LYS A 85 1.815 -1.428 -7.977 1.00 0.00 C ATOM 1240 CG LYS A 85 2.736 -2.261 -7.180 1.00 0.00 C ATOM 1241 CD LYS A 85 3.972 -2.577 -7.954 1.00 0.00 C ATOM 1242 CE LYS A 85 4.698 -3.683 -7.286 1.00 0.00 C ATOM 1243 NZ LYS A 85 6.039 -3.892 -7.858 1.00 0.00 N ATOM 0 H LYS A 85 0.197 -3.169 -7.345 1.00 0.00 H new ATOM 0 HA LYS A 85 0.721 -0.682 -6.302 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.598 -1.940 -8.914 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.316 -0.494 -8.233 1.00 0.00 H new ATOM 0 HG2 LYS A 85 3.001 -1.739 -6.260 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.237 -3.186 -6.889 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.714 -2.860 -8.974 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.609 -1.695 -8.019 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.788 -3.466 -6.222 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.119 -4.602 -7.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 6.510 -4.674 -7.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.953 -4.125 -8.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.602 -3.024 -7.750 1.00 0.00 H new ATOM 1257 N HIS A 86 -0.741 -0.626 -9.233 1.00 0.00 N ATOM 1258 CA HIS A 86 -1.466 0.188 -10.197 1.00 0.00 C ATOM 1259 C HIS A 86 -2.593 0.927 -9.486 1.00 0.00 C ATOM 1260 O HIS A 86 -2.688 2.167 -9.537 1.00 0.00 O ATOM 1261 CB HIS A 86 -2.028 -0.688 -11.337 1.00 0.00 C ATOM 1262 CG HIS A 86 -2.583 0.079 -12.522 1.00 0.00 C ATOM 1263 ND1 HIS A 86 -3.083 -0.537 -13.638 1.00 0.00 N ATOM 1264 CD2 HIS A 86 -2.691 1.413 -12.759 1.00 0.00 C ATOM 1265 CE1 HIS A 86 -3.475 0.369 -14.511 1.00 0.00 C ATOM 1266 NE2 HIS A 86 -3.248 1.566 -14.002 1.00 0.00 N ATOM 0 H HIS A 86 -0.666 -1.608 -9.499 1.00 0.00 H new ATOM 0 HA HIS A 86 -0.782 0.913 -10.638 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -1.237 -1.350 -11.690 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -2.817 -1.322 -10.932 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -2.393 2.207 -12.090 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -3.909 0.167 -15.479 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -3.453 2.455 -14.457 1.00 0.00 H new ATOM 1274 N LYS A 87 -3.369 0.174 -8.753 1.00 0.00 N ATOM 1275 CA LYS A 87 -4.510 0.716 -8.030 1.00 0.00 C ATOM 1276 C LYS A 87 -4.062 1.690 -6.965 1.00 0.00 C ATOM 1277 O LYS A 87 -4.713 2.689 -6.722 1.00 0.00 O ATOM 1278 CB LYS A 87 -5.320 -0.384 -7.422 1.00 0.00 C ATOM 1279 CG LYS A 87 -5.993 -1.264 -8.440 1.00 0.00 C ATOM 1280 CD LYS A 87 -6.476 -2.526 -7.797 1.00 0.00 C ATOM 1281 CE LYS A 87 -7.525 -2.288 -6.712 1.00 0.00 C ATOM 1282 NZ LYS A 87 -8.788 -1.745 -7.254 1.00 0.00 N ATOM 0 H LYS A 87 -3.237 -0.830 -8.634 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.135 1.254 -8.743 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -4.673 -0.997 -6.794 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.078 0.051 -6.771 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.832 -0.734 -8.891 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -5.296 -1.501 -9.244 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -6.897 -3.178 -8.563 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -5.626 -3.052 -7.362 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.729 -3.226 -6.196 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -7.125 -1.597 -5.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.488 -1.665 -6.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.614 -0.805 -7.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.152 -2.382 -7.991 1.00 0.00 H new ATOM 1296 N THR A 88 -2.922 1.427 -6.424 1.00 0.00 N ATOM 1297 CA THR A 88 -2.394 2.148 -5.361 1.00 0.00 C ATOM 1298 C THR A 88 -1.912 3.478 -5.797 1.00 0.00 C ATOM 1299 O THR A 88 -2.416 4.465 -5.342 1.00 0.00 O ATOM 1300 CB THR A 88 -1.277 1.366 -4.729 1.00 0.00 C ATOM 1301 OG1 THR A 88 -1.815 0.257 -4.021 1.00 0.00 O ATOM 1302 CG2 THR A 88 -0.435 2.240 -3.850 1.00 0.00 C ATOM 0 H THR A 88 -2.320 0.666 -6.738 1.00 0.00 H new ATOM 0 HA THR A 88 -3.184 2.310 -4.628 1.00 0.00 H new ATOM 0 HB THR A 88 -0.619 0.986 -5.510 1.00 0.00 H new ATOM 0 HG1 THR A 88 -1.858 -0.521 -4.615 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.365 1.647 -3.406 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.003 3.045 -4.444 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.054 2.664 -3.059 1.00 0.00 H new ATOM 1310 N LYS A 89 -0.970 3.506 -6.707 1.00 0.00 N ATOM 1311 CA LYS A 89 -0.423 4.747 -7.142 1.00 0.00 C ATOM 1312 C LYS A 89 -1.476 5.634 -7.799 1.00 0.00 C ATOM 1313 O LYS A 89 -1.455 6.850 -7.647 1.00 0.00 O ATOM 1314 CB LYS A 89 0.856 4.545 -7.982 1.00 0.00 C ATOM 1315 CG LYS A 89 0.827 3.369 -8.942 1.00 0.00 C ATOM 1316 CD LYS A 89 -0.068 3.558 -10.091 1.00 0.00 C ATOM 1317 CE LYS A 89 0.447 4.609 -11.053 1.00 0.00 C ATOM 1318 NZ LYS A 89 1.709 4.193 -11.727 1.00 0.00 N ATOM 0 H LYS A 89 -0.573 2.680 -7.154 1.00 0.00 H new ATOM 0 HA LYS A 89 -0.100 5.301 -6.261 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.042 5.454 -8.554 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.699 4.417 -7.303 1.00 0.00 H new ATOM 0 HG2 LYS A 89 1.837 3.187 -9.308 1.00 0.00 H new ATOM 0 HG3 LYS A 89 0.519 2.476 -8.398 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.184 2.611 -10.618 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -1.057 3.847 -9.735 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -0.314 4.812 -11.806 1.00 0.00 H new ATOM 0 HE3 LYS A 89 0.617 5.540 -10.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 1.877 4.800 -12.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 2.504 4.286 -11.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 1.628 3.203 -12.034 1.00 0.00 H new ATOM 1332 N GLU A 90 -2.436 4.999 -8.478 1.00 0.00 N ATOM 1333 CA GLU A 90 -3.564 5.737 -9.048 1.00 0.00 C ATOM 1334 C GLU A 90 -4.479 6.270 -7.943 1.00 0.00 C ATOM 1335 O GLU A 90 -4.963 7.419 -8.011 1.00 0.00 O ATOM 1336 CB GLU A 90 -4.343 4.880 -10.022 1.00 0.00 C ATOM 1337 CG GLU A 90 -3.624 4.625 -11.336 1.00 0.00 C ATOM 1338 CD GLU A 90 -3.418 5.894 -12.118 1.00 0.00 C ATOM 1339 OE1 GLU A 90 -4.401 6.409 -12.689 1.00 0.00 O ATOM 1340 OE2 GLU A 90 -2.288 6.422 -12.155 1.00 0.00 O ATOM 0 H GLU A 90 -2.455 3.993 -8.644 1.00 0.00 H new ATOM 0 HA GLU A 90 -3.162 6.587 -9.599 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.565 3.923 -9.550 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.298 5.362 -10.230 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -2.658 4.160 -11.137 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.200 3.919 -11.934 1.00 0.00 H new ATOM 1347 N TYR A 91 -4.636 5.476 -6.879 1.00 0.00 N ATOM 1348 CA TYR A 91 -5.451 5.867 -5.742 1.00 0.00 C ATOM 1349 C TYR A 91 -4.796 7.037 -5.086 1.00 0.00 C ATOM 1350 O TYR A 91 -5.437 8.019 -4.808 1.00 0.00 O ATOM 1351 CB TYR A 91 -5.602 4.704 -4.735 1.00 0.00 C ATOM 1352 CG TYR A 91 -5.901 5.118 -3.310 1.00 0.00 C ATOM 1353 CD1 TYR A 91 -7.100 5.717 -2.960 1.00 0.00 C ATOM 1354 CD2 TYR A 91 -4.961 4.900 -2.313 1.00 0.00 C ATOM 1355 CE1 TYR A 91 -7.350 6.090 -1.658 1.00 0.00 C ATOM 1356 CE2 TYR A 91 -5.200 5.266 -1.018 1.00 0.00 C ATOM 1357 CZ TYR A 91 -6.399 5.861 -0.691 1.00 0.00 C ATOM 1358 OH TYR A 91 -6.652 6.224 0.614 1.00 0.00 O ATOM 0 H TYR A 91 -4.204 4.556 -6.789 1.00 0.00 H new ATOM 0 HA TYR A 91 -6.452 6.131 -6.084 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -6.400 4.047 -5.080 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.683 4.118 -4.741 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -7.849 5.894 -3.718 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.021 4.432 -2.565 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.287 6.560 -1.398 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.455 5.090 -0.257 1.00 0.00 H new ATOM 0 HH TYR A 91 -6.004 5.789 1.206 1.00 0.00 H new ATOM 1368 N ILE A 92 -3.500 6.907 -4.866 1.00 0.00 N ATOM 1369 CA ILE A 92 -2.666 7.960 -4.292 1.00 0.00 C ATOM 1370 C ILE A 92 -2.860 9.256 -5.016 1.00 0.00 C ATOM 1371 O ILE A 92 -3.143 10.264 -4.374 1.00 0.00 O ATOM 1372 CB ILE A 92 -1.174 7.590 -4.356 1.00 0.00 C ATOM 1373 CG1 ILE A 92 -0.891 6.311 -3.568 1.00 0.00 C ATOM 1374 CG2 ILE A 92 -0.305 8.759 -3.880 1.00 0.00 C ATOM 1375 CD1 ILE A 92 -0.700 6.482 -2.123 1.00 0.00 C ATOM 0 H ILE A 92 -2.984 6.054 -5.083 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.971 8.068 -3.251 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.913 7.390 -5.395 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.717 5.618 -3.727 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.002 5.842 -3.981 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.746 8.476 -3.933 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.480 9.626 -4.517 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.562 9.008 -2.850 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.506 5.512 -1.664 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.147 7.144 -1.944 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.599 6.917 -1.686 1.00 0.00 H new ATOM 1387 N LYS A 93 -2.709 9.227 -6.333 1.00 0.00 N ATOM 1388 CA LYS A 93 -2.881 10.417 -7.131 1.00 0.00 C ATOM 1389 C LYS A 93 -4.208 11.038 -6.824 1.00 0.00 C ATOM 1390 O LYS A 93 -4.273 12.149 -6.278 1.00 0.00 O ATOM 1391 CB LYS A 93 -2.791 10.107 -8.625 1.00 0.00 C ATOM 1392 CG LYS A 93 -1.448 9.589 -9.061 1.00 0.00 C ATOM 1393 CD LYS A 93 -1.457 9.179 -10.513 1.00 0.00 C ATOM 1394 CE LYS A 93 -0.128 8.576 -10.903 1.00 0.00 C ATOM 1395 NZ LYS A 93 -0.130 8.073 -12.289 1.00 0.00 N ATOM 0 H LYS A 93 -2.468 8.390 -6.864 1.00 0.00 H new ATOM 0 HA LYS A 93 -2.078 11.111 -6.882 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -3.553 9.371 -8.880 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -3.021 11.012 -9.188 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.692 10.358 -8.904 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.168 8.736 -8.443 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.255 8.458 -10.688 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.667 10.045 -11.140 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.656 9.325 -10.791 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.112 7.759 -10.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 0.652 7.399 -12.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.033 7.596 -12.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.010 8.869 -12.947 1.00 0.00 H new ATOM 1409 N LYS A 94 -5.250 10.248 -6.975 1.00 0.00 N ATOM 1410 CA LYS A 94 -6.597 10.771 -6.873 1.00 0.00 C ATOM 1411 C LYS A 94 -6.855 11.247 -5.459 1.00 0.00 C ATOM 1412 O LYS A 94 -7.608 12.198 -5.233 1.00 0.00 O ATOM 1413 CB LYS A 94 -7.628 9.717 -7.247 1.00 0.00 C ATOM 1414 CG LYS A 94 -7.472 9.100 -8.621 1.00 0.00 C ATOM 1415 CD LYS A 94 -8.515 8.010 -8.829 1.00 0.00 C ATOM 1416 CE LYS A 94 -8.217 7.154 -10.050 1.00 0.00 C ATOM 1417 NZ LYS A 94 -8.185 7.927 -11.306 1.00 0.00 N ATOM 0 H LYS A 94 -5.192 9.248 -7.168 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.689 11.605 -7.569 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.590 8.919 -6.505 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.619 10.166 -7.182 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -7.580 9.868 -9.387 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.471 8.681 -8.728 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -8.556 7.375 -7.944 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -9.498 8.467 -8.939 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -7.257 6.657 -9.912 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -8.972 6.372 -10.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.028 7.282 -12.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -9.091 8.422 -11.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -7.413 8.623 -11.266 1.00 0.00 H new ATOM 1431 N TYR A 95 -6.236 10.578 -4.521 1.00 0.00 N ATOM 1432 CA TYR A 95 -6.343 10.928 -3.170 1.00 0.00 C ATOM 1433 C TYR A 95 -5.713 12.289 -2.901 1.00 0.00 C ATOM 1434 O TYR A 95 -6.355 13.174 -2.389 1.00 0.00 O ATOM 1435 CB TYR A 95 -5.704 9.845 -2.333 1.00 0.00 C ATOM 1436 CG TYR A 95 -5.601 10.220 -0.894 1.00 0.00 C ATOM 1437 CD1 TYR A 95 -6.737 10.284 -0.094 1.00 0.00 C ATOM 1438 CD2 TYR A 95 -4.391 10.573 -0.343 1.00 0.00 C ATOM 1439 CE1 TYR A 95 -6.656 10.677 1.213 1.00 0.00 C ATOM 1440 CE2 TYR A 95 -4.314 10.971 0.956 1.00 0.00 C ATOM 1441 CZ TYR A 95 -5.443 11.018 1.733 1.00 0.00 C ATOM 1442 OH TYR A 95 -5.350 11.440 3.027 1.00 0.00 O ATOM 0 H TYR A 95 -5.642 9.768 -4.699 1.00 0.00 H new ATOM 0 HA TYR A 95 -7.395 11.013 -2.900 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.286 8.928 -2.425 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.708 9.631 -2.721 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -7.697 10.019 -0.511 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.496 10.534 -0.946 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.544 10.717 1.827 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.360 11.251 1.377 1.00 0.00 H new ATOM 0 HH TYR A 95 -5.991 10.945 3.579 1.00 0.00 H new ATOM 1452 N MET A 96 -4.476 12.459 -3.286 1.00 0.00 N ATOM 1453 CA MET A 96 -3.765 13.673 -3.018 1.00 0.00 C ATOM 1454 C MET A 96 -4.358 14.864 -3.746 1.00 0.00 C ATOM 1455 O MET A 96 -4.161 16.014 -3.340 1.00 0.00 O ATOM 1456 CB MET A 96 -2.298 13.504 -3.307 1.00 0.00 C ATOM 1457 CG MET A 96 -1.719 12.307 -2.570 1.00 0.00 C ATOM 1458 SD MET A 96 0.000 12.427 -2.191 1.00 0.00 S ATOM 1459 CE MET A 96 -0.054 13.869 -1.179 1.00 0.00 C ATOM 0 H MET A 96 -3.936 11.758 -3.794 1.00 0.00 H new ATOM 0 HA MET A 96 -3.873 13.889 -1.955 1.00 0.00 H new ATOM 0 HB2 MET A 96 -2.150 13.379 -4.380 1.00 0.00 H new ATOM 0 HB3 MET A 96 -1.762 14.407 -3.014 1.00 0.00 H new ATOM 0 HG2 MET A 96 -2.272 12.169 -1.641 1.00 0.00 H new ATOM 0 HG3 MET A 96 -1.881 11.414 -3.174 1.00 0.00 H new ATOM 0 HE1 MET A 96 0.873 13.951 -0.612 1.00 0.00 H new ATOM 0 HE2 MET A 96 -0.173 14.751 -1.808 1.00 0.00 H new ATOM 0 HE3 MET A 96 -0.895 13.798 -0.490 1.00 0.00 H new ATOM 1469 N GLN A 97 -5.142 14.584 -4.792 1.00 0.00 N ATOM 1470 CA GLN A 97 -5.820 15.644 -5.534 1.00 0.00 C ATOM 1471 C GLN A 97 -6.831 16.371 -4.651 1.00 0.00 C ATOM 1472 O GLN A 97 -7.220 17.513 -4.943 1.00 0.00 O ATOM 1473 CB GLN A 97 -6.518 15.138 -6.805 1.00 0.00 C ATOM 1474 CG GLN A 97 -5.654 14.284 -7.719 1.00 0.00 C ATOM 1475 CD GLN A 97 -4.266 14.841 -7.967 1.00 0.00 C ATOM 1476 OE1 GLN A 97 -4.033 15.610 -8.897 1.00 0.00 O ATOM 1477 NE2 GLN A 97 -3.326 14.405 -7.153 1.00 0.00 N ATOM 0 H GLN A 97 -5.320 13.641 -5.139 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.038 16.337 -5.844 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -7.394 14.559 -6.514 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.878 15.998 -7.370 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -5.561 13.288 -7.285 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -6.162 14.168 -8.676 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -3.565 13.767 -6.394 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -2.360 14.705 -7.282 1.00 0.00 H new ATOM 1486 N LYS A 98 -7.240 15.730 -3.562 1.00 0.00 N ATOM 1487 CA LYS A 98 -8.219 16.323 -2.679 1.00 0.00 C ATOM 1488 C LYS A 98 -7.607 17.358 -1.763 1.00 0.00 C ATOM 1489 O LYS A 98 -8.324 18.164 -1.210 1.00 0.00 O ATOM 1490 CB LYS A 98 -8.963 15.279 -1.832 1.00 0.00 C ATOM 1491 CG LYS A 98 -8.179 14.693 -0.677 1.00 0.00 C ATOM 1492 CD LYS A 98 -9.028 14.581 0.583 1.00 0.00 C ATOM 1493 CE LYS A 98 -9.305 15.948 1.255 1.00 0.00 C ATOM 1494 NZ LYS A 98 -10.164 16.888 0.495 1.00 0.00 N ATOM 0 H LYS A 98 -6.909 14.808 -3.277 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.939 16.810 -3.337 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -9.869 15.738 -1.437 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -9.277 14.465 -2.485 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.807 13.707 -0.954 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.308 15.317 -0.475 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -9.977 14.107 0.333 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.524 13.928 1.296 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -9.770 15.766 2.224 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -8.349 16.436 1.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -10.545 17.609 1.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -9.601 17.350 -0.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.950 16.365 0.058 1.00 0.00 H new ATOM 1508 N PHE A 99 -6.289 17.316 -1.575 1.00 0.00 N ATOM 1509 CA PHE A 99 -5.625 18.259 -0.666 1.00 0.00 C ATOM 1510 C PHE A 99 -5.406 19.616 -1.317 1.00 0.00 C ATOM 1511 O PHE A 99 -5.307 20.639 -0.636 1.00 0.00 O ATOM 1512 CB PHE A 99 -4.292 17.722 -0.132 1.00 0.00 C ATOM 1513 CG PHE A 99 -4.391 16.515 0.759 1.00 0.00 C ATOM 1514 CD1 PHE A 99 -5.081 16.585 1.967 1.00 0.00 C ATOM 1515 CD2 PHE A 99 -3.750 15.321 0.423 1.00 0.00 C ATOM 1516 CE1 PHE A 99 -5.139 15.496 2.807 1.00 0.00 C ATOM 1517 CE2 PHE A 99 -3.810 14.226 1.271 1.00 0.00 C ATOM 1518 CZ PHE A 99 -4.508 14.323 2.458 1.00 0.00 C ATOM 0 H PHE A 99 -5.664 16.651 -2.031 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.303 18.380 0.179 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.654 17.474 -0.980 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.794 18.519 0.420 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.576 17.503 2.247 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.203 15.250 -0.505 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.679 15.562 3.740 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -3.314 13.304 1.005 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.560 13.471 3.119 1.00 0.00 H new ATOM 1528 N GLY A 100 -5.324 19.627 -2.615 1.00 0.00 N ATOM 1529 CA GLY A 100 -5.134 20.850 -3.311 1.00 0.00 C ATOM 1530 C GLY A 100 -3.709 21.000 -3.702 1.00 0.00 C ATOM 1531 O GLY A 100 -3.168 20.164 -4.410 1.00 0.00 O ATOM 0 H GLY A 100 -5.387 18.799 -3.207 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.767 20.874 -4.198 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.436 21.687 -2.681 1.00 0.00 H new ATOM 1535 N ALA A 101 -3.090 22.011 -3.218 1.00 0.00 N ATOM 1536 CA ALA A 101 -1.710 22.256 -3.531 1.00 0.00 C ATOM 1537 C ALA A 101 -0.816 21.630 -2.490 1.00 0.00 C ATOM 1538 O ALA A 101 0.187 21.012 -2.818 1.00 0.00 O ATOM 1539 CB ALA A 101 -1.441 23.738 -3.637 1.00 0.00 C ATOM 0 H ALA A 101 -3.513 22.698 -2.594 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.491 21.800 -4.496 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -0.390 23.901 -3.875 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.062 24.165 -4.425 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.677 24.219 -2.688 1.00 0.00 H new ATOM 1545 N VAL A 102 -1.198 21.740 -1.240 1.00 0.00 N ATOM 1546 CA VAL A 102 -0.369 21.239 -0.168 1.00 0.00 C ATOM 1547 C VAL A 102 -1.150 20.195 0.594 1.00 0.00 C ATOM 1548 O VAL A 102 -2.380 20.207 0.611 1.00 0.00 O ATOM 1549 CB VAL A 102 0.076 22.353 0.807 1.00 0.00 C ATOM 1550 CG1 VAL A 102 1.346 21.995 1.548 1.00 0.00 C ATOM 1551 CG2 VAL A 102 0.202 23.680 0.118 1.00 0.00 C ATOM 0 H VAL A 102 -2.073 22.170 -0.940 1.00 0.00 H new ATOM 0 HA VAL A 102 0.533 20.816 -0.610 1.00 0.00 H new ATOM 0 HB VAL A 102 -0.714 22.444 1.553 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.617 22.809 2.220 1.00 0.00 H new ATOM 0 HG12 VAL A 102 1.186 21.085 2.126 1.00 0.00 H new ATOM 0 HG13 VAL A 102 2.152 21.832 0.832 1.00 0.00 H new ATOM 0 HG21 VAL A 102 0.517 24.435 0.838 1.00 0.00 H new ATOM 0 HG22 VAL A 102 0.942 23.607 -0.679 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -0.761 23.962 -0.307 1.00 0.00 H new ATOM 1561 N TYR A 103 -0.439 19.330 1.214 1.00 0.00 N ATOM 1562 CA TYR A 103 -0.973 18.249 1.943 1.00 0.00 C ATOM 1563 C TYR A 103 -1.327 18.679 3.347 1.00 0.00 C ATOM 1564 O TYR A 103 -0.467 18.893 4.201 1.00 0.00 O ATOM 1565 CB TYR A 103 0.001 17.061 1.903 1.00 0.00 C ATOM 1566 CG TYR A 103 -0.250 15.963 2.903 1.00 0.00 C ATOM 1567 CD1 TYR A 103 -1.497 15.491 3.136 1.00 0.00 C ATOM 1568 CD2 TYR A 103 0.785 15.418 3.616 1.00 0.00 C ATOM 1569 CE1 TYR A 103 -1.728 14.510 4.051 1.00 0.00 C ATOM 1570 CE2 TYR A 103 0.570 14.420 4.537 1.00 0.00 C ATOM 1571 CZ TYR A 103 -0.691 13.973 4.751 1.00 0.00 C ATOM 1572 OH TYR A 103 -0.930 12.993 5.696 1.00 0.00 O ATOM 0 H TYR A 103 0.580 19.360 1.226 1.00 0.00 H new ATOM 0 HA TYR A 103 -1.903 17.916 1.482 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -0.028 16.627 0.903 1.00 0.00 H new ATOM 0 HB3 TYR A 103 1.011 17.440 2.057 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -2.328 15.902 2.583 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.789 15.779 3.451 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -2.734 14.157 4.222 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.399 13.996 5.085 1.00 0.00 H new ATOM 0 HH TYR A 103 -0.826 13.372 6.594 1.00 0.00 H new ATOM 1582 N LYS A 104 -2.579 18.870 3.531 1.00 0.00 N ATOM 1583 CA LYS A 104 -3.154 19.157 4.808 1.00 0.00 C ATOM 1584 C LYS A 104 -4.057 18.004 5.230 1.00 0.00 C ATOM 1585 O LYS A 104 -5.237 17.991 4.901 1.00 0.00 O ATOM 1586 CB LYS A 104 -3.930 20.472 4.761 1.00 0.00 C ATOM 1587 CG LYS A 104 -3.065 21.719 4.885 1.00 0.00 C ATOM 1588 CD LYS A 104 -3.870 22.982 4.609 1.00 0.00 C ATOM 1589 CE LYS A 104 -4.054 23.203 3.111 1.00 0.00 C ATOM 1590 NZ LYS A 104 -2.816 23.705 2.474 1.00 0.00 N ATOM 0 H LYS A 104 -3.263 18.831 2.776 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.359 19.267 5.545 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -4.483 20.520 3.823 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -4.666 20.474 5.565 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.638 21.769 5.886 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.231 21.657 4.186 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -4.845 22.907 5.091 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -3.363 23.842 5.047 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -4.352 22.267 2.639 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -4.863 23.915 2.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -2.708 23.271 1.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -2.872 24.739 2.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -1.997 23.459 3.065 1.00 0.00 H new ATOM 1604 N PRO A 105 -3.506 16.995 5.943 1.00 0.00 N ATOM 1605 CA PRO A 105 -4.265 15.801 6.362 1.00 0.00 C ATOM 1606 C PRO A 105 -5.423 16.137 7.291 1.00 0.00 C ATOM 1607 O PRO A 105 -6.300 15.324 7.536 1.00 0.00 O ATOM 1608 CB PRO A 105 -3.237 14.943 7.090 1.00 0.00 C ATOM 1609 CG PRO A 105 -2.148 15.873 7.449 1.00 0.00 C ATOM 1610 CD PRO A 105 -2.108 16.932 6.394 1.00 0.00 C ATOM 0 HA PRO A 105 -4.721 15.304 5.506 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -3.668 14.479 7.977 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -2.873 14.137 6.453 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -2.325 16.313 8.430 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -1.195 15.347 7.503 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -1.768 17.888 6.793 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -1.432 16.668 5.581 1.00 0.00 H new ATOM 1618 N LYS A 106 -5.388 17.317 7.861 1.00 0.00 N ATOM 1619 CA LYS A 106 -6.494 17.824 8.649 1.00 0.00 C ATOM 1620 C LYS A 106 -7.806 17.855 7.862 1.00 0.00 C ATOM 1621 O LYS A 106 -8.885 17.932 8.452 1.00 0.00 O ATOM 1622 CB LYS A 106 -6.156 19.169 9.271 1.00 0.00 C ATOM 1623 CG LYS A 106 -5.783 20.258 8.275 1.00 0.00 C ATOM 1624 CD LYS A 106 -5.258 21.485 8.995 1.00 0.00 C ATOM 1625 CE LYS A 106 -6.313 22.143 9.880 1.00 0.00 C ATOM 1626 NZ LYS A 106 -7.421 22.736 9.100 1.00 0.00 N ATOM 0 H LYS A 106 -4.595 17.955 7.794 1.00 0.00 H new ATOM 0 HA LYS A 106 -6.656 17.123 9.468 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -7.011 19.508 9.855 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -5.328 19.034 9.967 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -5.027 19.883 7.585 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -6.655 20.526 7.678 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -4.401 21.204 9.606 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -4.903 22.208 8.261 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -6.716 21.402 10.571 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -5.843 22.919 10.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -8.056 23.256 9.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -7.034 23.389 8.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.953 21.980 8.623 1.00 0.00 H new ATOM 1640 N GLU A 107 -7.716 17.797 6.551 1.00 0.00 N ATOM 1641 CA GLU A 107 -8.910 17.706 5.735 1.00 0.00 C ATOM 1642 C GLU A 107 -9.063 16.315 5.089 1.00 0.00 C ATOM 1643 O GLU A 107 -9.925 16.100 4.245 1.00 0.00 O ATOM 1644 CB GLU A 107 -8.951 18.801 4.701 1.00 0.00 C ATOM 1645 CG GLU A 107 -7.976 18.680 3.580 1.00 0.00 C ATOM 1646 CD GLU A 107 -8.294 19.658 2.486 1.00 0.00 C ATOM 1647 OE1 GLU A 107 -7.859 20.822 2.551 1.00 0.00 O ATOM 1648 OE2 GLU A 107 -9.034 19.294 1.552 1.00 0.00 O ATOM 0 H GLU A 107 -6.839 17.811 6.030 1.00 0.00 H new ATOM 0 HA GLU A 107 -9.764 17.844 6.399 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -9.956 18.838 4.280 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -8.781 19.754 5.203 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -6.966 18.858 3.950 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -7.996 17.665 3.183 1.00 0.00 H new ATOM 1655 N ASP A 108 -8.253 15.381 5.529 1.00 0.00 N ATOM 1656 CA ASP A 108 -8.231 14.012 5.037 1.00 0.00 C ATOM 1657 C ASP A 108 -9.459 13.204 5.508 1.00 0.00 C ATOM 1658 O ASP A 108 -10.164 13.588 6.451 1.00 0.00 O ATOM 1659 CB ASP A 108 -6.857 13.357 5.407 1.00 0.00 C ATOM 1660 CG ASP A 108 -6.875 11.886 5.746 1.00 0.00 C ATOM 1661 OD1 ASP A 108 -7.167 11.052 4.868 1.00 0.00 O ATOM 1662 OD2 ASP A 108 -6.592 11.542 6.920 1.00 0.00 O ATOM 0 H ASP A 108 -7.566 15.553 6.263 1.00 0.00 H new ATOM 0 HA ASP A 108 -8.313 14.013 3.950 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -6.174 13.505 4.571 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -6.441 13.897 6.258 1.00 0.00 H new ATOM 1667 N THR A 109 -9.670 12.099 4.858 1.00 0.00 N ATOM 1668 CA THR A 109 -10.809 11.220 5.039 1.00 0.00 C ATOM 1669 C THR A 109 -10.537 10.275 6.216 1.00 0.00 C ATOM 1670 O THR A 109 -11.463 9.723 6.822 1.00 0.00 O ATOM 1671 CB THR A 109 -11.060 10.420 3.711 1.00 0.00 C ATOM 1672 OG1 THR A 109 -12.113 9.443 3.845 1.00 0.00 O ATOM 1673 CG2 THR A 109 -9.777 9.743 3.239 1.00 0.00 C ATOM 0 H THR A 109 -9.023 11.759 4.146 1.00 0.00 H new ATOM 0 HA THR A 109 -11.704 11.799 5.265 1.00 0.00 H new ATOM 0 HB THR A 109 -11.382 11.146 2.964 1.00 0.00 H new ATOM 0 HG1 THR A 109 -12.233 8.973 2.994 1.00 0.00 H new ATOM 0 HG21 THR A 109 -9.973 9.194 2.318 1.00 0.00 H new ATOM 0 HG22 THR A 109 -9.013 10.499 3.056 1.00 0.00 H new ATOM 0 HG23 THR A 109 -9.427 9.052 4.006 1.00 0.00 H new TER 1681 THR A 109