USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 962 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 108 GLN : amide:sc= 0.705 K(o=0.69,f=-1.3) USER MOD Set 1.2: A 109 GLN : amide:sc= 0.107 K(o=0.69,f=-3.2!) USER MOD Set 1.3: A 112 LYS NZ :NH3+ 156:sc= -0.123 (180deg=-0.52) USER MOD Set 2.1: A 33 SER OG : rot -20:sc=-0.00205 USER MOD Set 2.2: A 73 HIS :FLIP no HD1:sc= -4.77! C(o=-6.9!,f=-4.8!) USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -1.05 K(o=-1.1,f=-4!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 140:sc= -0.886 USER MOD Single : A 27 SER OG : rot 160:sc= -2.92! USER MOD Single : A 29 HIS : no HD1:sc= -0.27 X(o=-0.27,f=-0.11) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 140:sc= -0.695 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 166:sc= -1.35 (180deg=-1.8) USER MOD Single : A 47 GLN : amide:sc= -0.221 X(o=-0.22,f=-0.014) USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ -177:sc= -0.977 (180deg=-1.03) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 63 LYS NZ :NH3+ 153:sc= -0.0379 (180deg=-0.432) USER MOD Single : A 69 ASN :FLIP amide:sc= -0.842 F(o=-2,f=-0.84) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot -120:sc= 1.21 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot -81:sc= 0.978 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 120:sc= -1.39! USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0286) USER MOD Single : A 107 SER OG : rot -140:sc=-0.000826 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 13.403 -6.436 -2.676 1.00 0.00 N ATOM 2 CA HIS A 1 12.692 -5.673 -3.736 1.00 0.00 C ATOM 3 C HIS A 1 11.275 -5.314 -3.300 1.00 0.00 C ATOM 4 O HIS A 1 10.934 -4.138 -3.171 1.00 0.00 O ATOM 5 CB HIS A 1 12.654 -6.523 -5.006 1.00 0.00 C ATOM 6 CG HIS A 1 12.594 -5.716 -6.265 1.00 0.00 C ATOM 7 ND1 HIS A 1 13.330 -6.020 -7.391 1.00 0.00 N ATOM 8 CD2 HIS A 1 11.879 -4.608 -6.575 1.00 0.00 C ATOM 9 CE1 HIS A 1 13.071 -5.135 -8.337 1.00 0.00 C ATOM 10 NE2 HIS A 1 12.193 -4.268 -7.867 1.00 0.00 N ATOM 0 H1 HIS A 1 14.364 -6.667 -3.000 1.00 0.00 H new ATOM 0 H2 HIS A 1 13.458 -5.861 -1.811 1.00 0.00 H new ATOM 0 H3 HIS A 1 12.885 -7.315 -2.474 1.00 0.00 H new ATOM 0 HA HIS A 1 13.224 -4.740 -3.924 1.00 0.00 H new ATOM 0 HB2 HIS A 1 13.539 -7.159 -5.034 1.00 0.00 H new ATOM 0 HB3 HIS A 1 11.788 -7.183 -4.966 1.00 0.00 H new ATOM 0 HD2 HIS A 1 11.190 -4.089 -5.926 1.00 0.00 H new ATOM 0 HE1 HIS A 1 13.504 -5.123 -9.326 1.00 0.00 H new ATOM 0 HE2 HIS A 1 11.810 -3.474 -8.381 1.00 0.00 H new ATOM 21 N SER A 2 10.454 -6.334 -3.076 1.00 0.00 N ATOM 22 CA SER A 2 9.074 -6.126 -2.654 1.00 0.00 C ATOM 23 C SER A 2 8.293 -5.344 -3.705 1.00 0.00 C ATOM 24 O SER A 2 8.466 -4.134 -3.847 1.00 0.00 O ATOM 25 CB SER A 2 9.032 -5.383 -1.317 1.00 0.00 C ATOM 26 OG SER A 2 7.957 -5.839 -0.513 1.00 0.00 O ATOM 0 H SER A 2 10.720 -7.313 -3.180 1.00 0.00 H new ATOM 0 HA SER A 2 8.609 -7.104 -2.534 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.973 -5.528 -0.787 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.928 -4.313 -1.495 1.00 0.00 H new ATOM 0 HG SER A 2 7.953 -5.350 0.336 1.00 0.00 H new ATOM 32 N VAL A 3 7.432 -6.043 -4.438 1.00 0.00 N ATOM 33 CA VAL A 3 6.623 -5.413 -5.473 1.00 0.00 C ATOM 34 C VAL A 3 5.210 -5.997 -5.495 1.00 0.00 C ATOM 35 O VAL A 3 5.038 -7.215 -5.550 1.00 0.00 O ATOM 36 CB VAL A 3 7.264 -5.581 -6.865 1.00 0.00 C ATOM 37 CG1 VAL A 3 7.370 -7.053 -7.235 1.00 0.00 C ATOM 38 CG2 VAL A 3 6.474 -4.814 -7.916 1.00 0.00 C ATOM 0 H VAL A 3 7.277 -7.046 -4.334 1.00 0.00 H new ATOM 0 HA VAL A 3 6.569 -4.351 -5.235 1.00 0.00 H new ATOM 0 HB VAL A 3 8.272 -5.168 -6.829 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.825 -7.149 -8.221 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.986 -7.570 -6.499 1.00 0.00 H new ATOM 0 HG13 VAL A 3 6.375 -7.497 -7.250 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.943 -4.945 -8.891 1.00 0.00 H new ATOM 0 HG22 VAL A 3 5.452 -5.192 -7.951 1.00 0.00 H new ATOM 0 HG23 VAL A 3 6.461 -3.755 -7.660 1.00 0.00 H new ATOM 48 N PRO A 4 4.175 -5.137 -5.453 1.00 0.00 N ATOM 49 CA PRO A 4 2.785 -5.580 -5.470 1.00 0.00 C ATOM 50 C PRO A 4 2.277 -5.826 -6.886 1.00 0.00 C ATOM 51 O PRO A 4 2.826 -5.297 -7.852 1.00 0.00 O ATOM 52 CB PRO A 4 2.049 -4.409 -4.829 1.00 0.00 C ATOM 53 CG PRO A 4 2.851 -3.206 -5.198 1.00 0.00 C ATOM 54 CD PRO A 4 4.278 -3.667 -5.387 1.00 0.00 C ATOM 0 HA PRO A 4 2.643 -6.529 -4.952 1.00 0.00 H new ATOM 0 HB2 PRO A 4 1.027 -4.333 -5.201 1.00 0.00 H new ATOM 0 HB3 PRO A 4 1.986 -4.526 -3.747 1.00 0.00 H new ATOM 0 HG2 PRO A 4 2.468 -2.753 -6.112 1.00 0.00 H new ATOM 0 HG3 PRO A 4 2.791 -2.448 -4.417 1.00 0.00 H new ATOM 0 HD2 PRO A 4 4.712 -3.256 -6.299 1.00 0.00 H new ATOM 0 HD3 PRO A 4 4.913 -3.349 -4.560 1.00 0.00 H new ATOM 62 N GLU A 5 1.235 -6.641 -7.004 1.00 0.00 N ATOM 63 CA GLU A 5 0.665 -6.965 -8.297 1.00 0.00 C ATOM 64 C GLU A 5 -0.506 -6.052 -8.631 1.00 0.00 C ATOM 65 O GLU A 5 -0.545 -5.430 -9.692 1.00 0.00 O ATOM 66 CB GLU A 5 0.215 -8.422 -8.299 1.00 0.00 C ATOM 67 CG GLU A 5 1.330 -9.400 -8.632 1.00 0.00 C ATOM 68 CD GLU A 5 1.018 -10.251 -9.847 1.00 0.00 C ATOM 69 OE1 GLU A 5 0.914 -9.687 -10.956 1.00 0.00 O ATOM 70 OE2 GLU A 5 0.880 -11.483 -9.689 1.00 0.00 O ATOM 0 H GLU A 5 0.770 -7.088 -6.214 1.00 0.00 H new ATOM 0 HA GLU A 5 1.429 -6.815 -9.060 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -0.194 -8.669 -7.319 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -0.592 -8.544 -9.021 1.00 0.00 H new ATOM 0 HG2 GLU A 5 2.252 -8.847 -8.808 1.00 0.00 H new ATOM 0 HG3 GLU A 5 1.507 -10.049 -7.774 1.00 0.00 H new ATOM 77 N SER A 6 -1.454 -5.983 -7.716 1.00 0.00 N ATOM 78 CA SER A 6 -2.639 -5.152 -7.893 1.00 0.00 C ATOM 79 C SER A 6 -3.443 -5.068 -6.600 1.00 0.00 C ATOM 80 O SER A 6 -3.175 -5.796 -5.644 1.00 0.00 O ATOM 81 CB SER A 6 -3.514 -5.709 -9.018 1.00 0.00 C ATOM 82 OG SER A 6 -4.217 -4.671 -9.680 1.00 0.00 O ATOM 0 H SER A 6 -1.429 -6.495 -6.834 1.00 0.00 H new ATOM 0 HA SER A 6 -2.312 -4.147 -8.161 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.892 -6.246 -9.735 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.223 -6.429 -8.609 1.00 0.00 H new ATOM 0 HG SER A 6 -4.767 -5.053 -10.395 1.00 0.00 H new ATOM 88 N ILE A 7 -4.430 -4.179 -6.577 1.00 0.00 N ATOM 89 CA ILE A 7 -5.273 -4.005 -5.400 1.00 0.00 C ATOM 90 C ILE A 7 -6.750 -4.061 -5.775 1.00 0.00 C ATOM 91 O ILE A 7 -7.324 -3.070 -6.224 1.00 0.00 O ATOM 92 CB ILE A 7 -4.995 -2.667 -4.680 1.00 0.00 C ATOM 93 CG1 ILE A 7 -3.548 -2.215 -4.901 1.00 0.00 C ATOM 94 CG2 ILE A 7 -5.289 -2.798 -3.193 1.00 0.00 C ATOM 95 CD1 ILE A 7 -3.283 -0.794 -4.450 1.00 0.00 C ATOM 0 H ILE A 7 -4.666 -3.568 -7.359 1.00 0.00 H new ATOM 0 HA ILE A 7 -5.030 -4.824 -4.723 1.00 0.00 H new ATOM 0 HB ILE A 7 -5.654 -1.909 -5.103 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.880 -2.889 -4.365 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.306 -2.303 -5.960 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -5.089 -1.848 -2.697 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -6.336 -3.068 -3.051 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.653 -3.572 -2.763 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.239 -0.542 -4.637 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.926 -0.110 -5.004 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.493 -0.705 -3.384 1.00 0.00 H new ATOM 107 N ARG A 8 -7.360 -5.227 -5.587 1.00 0.00 N ATOM 108 CA ARG A 8 -8.771 -5.409 -5.907 1.00 0.00 C ATOM 109 C ARG A 8 -9.618 -5.419 -4.639 1.00 0.00 C ATOM 110 O ARG A 8 -9.722 -6.439 -3.958 1.00 0.00 O ATOM 111 CB ARG A 8 -8.978 -6.710 -6.684 1.00 0.00 C ATOM 112 CG ARG A 8 -8.661 -6.589 -8.166 1.00 0.00 C ATOM 113 CD ARG A 8 -8.513 -7.955 -8.818 1.00 0.00 C ATOM 114 NE ARG A 8 -9.794 -8.646 -8.943 1.00 0.00 N ATOM 115 CZ ARG A 8 -10.010 -9.663 -9.775 1.00 0.00 C ATOM 116 NH1 ARG A 8 -9.033 -10.112 -10.553 1.00 0.00 N ATOM 117 NH2 ARG A 8 -11.206 -10.233 -9.828 1.00 0.00 N ATOM 0 H ARG A 8 -6.900 -6.058 -5.215 1.00 0.00 H new ATOM 0 HA ARG A 8 -9.088 -4.571 -6.528 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.350 -7.488 -6.249 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -10.012 -7.033 -6.567 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.454 -6.031 -8.664 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -7.740 -6.021 -8.297 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.067 -7.838 -9.806 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.828 -8.565 -8.229 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.568 -8.331 -8.359 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -8.111 -9.678 -10.516 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -9.204 -10.891 -11.188 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -11.960 -9.892 -9.232 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -11.372 -11.012 -10.465 1.00 0.00 H new ATOM 131 N PHE A 9 -10.221 -4.276 -4.327 1.00 0.00 N ATOM 132 CA PHE A 9 -11.059 -4.151 -3.140 1.00 0.00 C ATOM 133 C PHE A 9 -12.463 -3.684 -3.511 1.00 0.00 C ATOM 134 O PHE A 9 -12.746 -2.487 -3.522 1.00 0.00 O ATOM 135 CB PHE A 9 -10.429 -3.172 -2.148 1.00 0.00 C ATOM 136 CG PHE A 9 -10.011 -1.871 -2.772 1.00 0.00 C ATOM 137 CD1 PHE A 9 -8.813 -1.771 -3.461 1.00 0.00 C ATOM 138 CD2 PHE A 9 -10.816 -0.748 -2.668 1.00 0.00 C ATOM 139 CE1 PHE A 9 -8.426 -0.576 -4.036 1.00 0.00 C ATOM 140 CE2 PHE A 9 -10.434 0.451 -3.241 1.00 0.00 C ATOM 141 CZ PHE A 9 -9.237 0.537 -3.926 1.00 0.00 C ATOM 0 H PHE A 9 -10.145 -3.423 -4.880 1.00 0.00 H new ATOM 0 HA PHE A 9 -11.134 -5.133 -2.674 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -11.141 -2.970 -1.348 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -9.559 -3.642 -1.689 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.174 -2.637 -3.550 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -11.752 -0.810 -2.133 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -7.490 -0.512 -4.571 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -11.070 1.319 -3.153 1.00 0.00 H new ATOM 0 HZ PHE A 9 -8.936 1.472 -4.374 1.00 0.00 H new ATOM 151 N GLY A 10 -13.338 -4.637 -3.812 1.00 0.00 N ATOM 152 CA GLY A 10 -14.701 -4.301 -4.179 1.00 0.00 C ATOM 153 C GLY A 10 -14.805 -3.759 -5.593 1.00 0.00 C ATOM 154 O GLY A 10 -14.091 -4.215 -6.486 1.00 0.00 O ATOM 0 H GLY A 10 -13.128 -5.635 -3.808 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -15.328 -5.188 -4.086 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -15.090 -3.561 -3.480 1.00 0.00 H new ATOM 158 N PRO A 11 -15.693 -2.777 -5.832 1.00 0.00 N ATOM 159 CA PRO A 11 -15.879 -2.181 -7.157 1.00 0.00 C ATOM 160 C PRO A 11 -14.813 -1.138 -7.487 1.00 0.00 C ATOM 161 O PRO A 11 -15.132 -0.023 -7.899 1.00 0.00 O ATOM 162 CB PRO A 11 -17.252 -1.525 -7.043 1.00 0.00 C ATOM 163 CG PRO A 11 -17.359 -1.135 -5.608 1.00 0.00 C ATOM 164 CD PRO A 11 -16.592 -2.172 -4.827 1.00 0.00 C ATOM 0 HA PRO A 11 -15.801 -2.919 -7.955 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -17.333 -0.657 -7.698 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -18.047 -2.215 -7.328 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -16.945 -0.140 -5.444 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -18.401 -1.102 -5.291 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -16.031 -1.722 -4.008 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -17.258 -2.915 -4.387 1.00 0.00 H new ATOM 172 N ASN A 12 -13.549 -1.506 -7.304 1.00 0.00 N ATOM 173 CA ASN A 12 -12.442 -0.598 -7.584 1.00 0.00 C ATOM 174 C ASN A 12 -11.131 -1.366 -7.726 1.00 0.00 C ATOM 175 O ASN A 12 -10.741 -2.119 -6.833 1.00 0.00 O ATOM 176 CB ASN A 12 -12.319 0.447 -6.473 1.00 0.00 C ATOM 177 CG ASN A 12 -12.997 1.754 -6.832 1.00 0.00 C ATOM 178 OD1 ASN A 12 -12.738 2.331 -7.888 1.00 0.00 O ATOM 179 ND2 ASN A 12 -13.871 2.229 -5.953 1.00 0.00 N ATOM 0 H ASN A 12 -13.266 -2.425 -6.964 1.00 0.00 H new ATOM 0 HA ASN A 12 -12.649 -0.092 -8.527 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -12.758 0.053 -5.557 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -11.265 0.632 -6.267 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -14.358 3.105 -6.141 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -14.055 1.718 -5.090 1.00 0.00 H new ATOM 186 N VAL A 13 -10.456 -1.170 -8.853 1.00 0.00 N ATOM 187 CA VAL A 13 -9.189 -1.843 -9.114 1.00 0.00 C ATOM 188 C VAL A 13 -8.037 -0.845 -9.146 1.00 0.00 C ATOM 189 O VAL A 13 -7.930 -0.036 -10.067 1.00 0.00 O ATOM 190 CB VAL A 13 -9.224 -2.613 -10.448 1.00 0.00 C ATOM 191 CG1 VAL A 13 -7.955 -3.432 -10.627 1.00 0.00 C ATOM 192 CG2 VAL A 13 -10.457 -3.502 -10.522 1.00 0.00 C ATOM 0 H VAL A 13 -10.765 -0.550 -9.601 1.00 0.00 H new ATOM 0 HA VAL A 13 -9.033 -2.551 -8.300 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.279 -1.889 -11.261 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.999 -3.968 -11.575 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.090 -2.768 -10.625 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.865 -4.147 -9.809 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.463 -4.037 -11.472 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -10.438 -4.219 -9.701 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -11.354 -2.887 -10.446 1.00 0.00 H new ATOM 202 N PHE A 14 -7.176 -0.907 -8.135 1.00 0.00 N ATOM 203 CA PHE A 14 -6.032 -0.007 -8.051 1.00 0.00 C ATOM 204 C PHE A 14 -4.776 -0.672 -8.604 1.00 0.00 C ATOM 205 O PHE A 14 -4.323 -1.693 -8.087 1.00 0.00 O ATOM 206 CB PHE A 14 -5.798 0.422 -6.601 1.00 0.00 C ATOM 207 CG PHE A 14 -5.045 1.715 -6.469 1.00 0.00 C ATOM 208 CD1 PHE A 14 -3.770 1.847 -6.995 1.00 0.00 C ATOM 209 CD2 PHE A 14 -5.612 2.798 -5.817 1.00 0.00 C ATOM 210 CE1 PHE A 14 -3.074 3.035 -6.873 1.00 0.00 C ATOM 211 CE2 PHE A 14 -4.921 3.988 -5.692 1.00 0.00 C ATOM 212 CZ PHE A 14 -3.651 4.107 -6.221 1.00 0.00 C ATOM 0 H PHE A 14 -7.249 -1.570 -7.364 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.251 0.875 -8.653 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -6.761 0.520 -6.100 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -5.248 -0.363 -6.083 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -3.315 1.012 -7.506 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -6.605 2.711 -5.402 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.081 3.125 -7.287 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -5.374 4.825 -5.181 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.110 5.037 -6.125 1.00 0.00 H new ATOM 222 N TYR A 15 -4.217 -0.083 -9.655 1.00 0.00 N ATOM 223 CA TYR A 15 -3.010 -0.615 -10.276 1.00 0.00 C ATOM 224 C TYR A 15 -1.766 0.027 -9.674 1.00 0.00 C ATOM 225 O TYR A 15 -1.566 1.237 -9.778 1.00 0.00 O ATOM 226 CB TYR A 15 -3.043 -0.379 -11.787 1.00 0.00 C ATOM 227 CG TYR A 15 -4.073 -1.216 -12.510 1.00 0.00 C ATOM 228 CD1 TYR A 15 -3.852 -2.566 -12.755 1.00 0.00 C ATOM 229 CD2 TYR A 15 -5.267 -0.657 -12.947 1.00 0.00 C ATOM 230 CE1 TYR A 15 -4.792 -3.334 -13.416 1.00 0.00 C ATOM 231 CE2 TYR A 15 -6.212 -1.419 -13.608 1.00 0.00 C ATOM 232 CZ TYR A 15 -5.969 -2.756 -13.840 1.00 0.00 C ATOM 233 OH TYR A 15 -6.908 -3.518 -14.497 1.00 0.00 O ATOM 0 H TYR A 15 -4.580 0.763 -10.095 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.972 -1.688 -10.086 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -3.246 0.675 -11.977 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.058 -0.594 -12.201 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.931 -3.022 -12.424 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.460 0.390 -12.767 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -4.605 -4.382 -13.599 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -7.136 -0.969 -13.941 1.00 0.00 H new ATOM 0 HH TYR A 15 -7.680 -2.960 -14.727 1.00 0.00 H new ATOM 243 N VAL A 16 -0.935 -0.791 -9.038 1.00 0.00 N ATOM 244 CA VAL A 16 0.289 -0.305 -8.412 1.00 0.00 C ATOM 245 C VAL A 16 1.279 0.234 -9.444 1.00 0.00 C ATOM 246 O VAL A 16 2.250 0.903 -9.091 1.00 0.00 O ATOM 247 CB VAL A 16 0.976 -1.412 -7.589 1.00 0.00 C ATOM 248 CG1 VAL A 16 0.242 -1.633 -6.276 1.00 0.00 C ATOM 249 CG2 VAL A 16 1.055 -2.705 -8.388 1.00 0.00 C ATOM 0 H VAL A 16 -1.087 -1.795 -8.942 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.007 0.508 -7.749 1.00 0.00 H new ATOM 0 HB VAL A 16 1.993 -1.091 -7.362 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.741 -2.418 -5.708 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.245 -0.709 -5.698 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.787 -1.931 -6.480 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.543 -3.474 -7.789 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.049 -3.033 -8.649 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.629 -2.535 -9.299 1.00 0.00 H new ATOM 259 N LEU A 17 1.035 -0.061 -10.719 1.00 0.00 N ATOM 260 CA LEU A 17 1.916 0.398 -11.788 1.00 0.00 C ATOM 261 C LEU A 17 1.225 1.430 -12.678 1.00 0.00 C ATOM 262 O LEU A 17 1.886 2.168 -13.409 1.00 0.00 O ATOM 263 CB LEU A 17 2.379 -0.788 -12.636 1.00 0.00 C ATOM 264 CG LEU A 17 2.881 -1.994 -11.840 1.00 0.00 C ATOM 265 CD1 LEU A 17 2.522 -3.290 -12.550 1.00 0.00 C ATOM 266 CD2 LEU A 17 4.384 -1.899 -11.624 1.00 0.00 C ATOM 0 H LEU A 17 0.238 -0.613 -11.035 1.00 0.00 H new ATOM 0 HA LEU A 17 2.780 0.873 -11.324 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.551 -1.108 -13.269 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.176 -0.452 -13.299 1.00 0.00 H new ATOM 0 HG LEU A 17 2.393 -1.992 -10.866 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.887 -4.137 -11.969 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.439 -3.361 -12.653 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.982 -3.303 -13.538 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.725 -2.764 -11.056 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.890 -1.876 -12.589 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.615 -0.988 -11.071 1.00 0.00 H new ATOM 278 N LYS A 18 -0.103 1.476 -12.620 1.00 0.00 N ATOM 279 CA LYS A 18 -0.867 2.419 -13.431 1.00 0.00 C ATOM 280 C LYS A 18 -1.177 3.696 -12.654 1.00 0.00 C ATOM 281 O LYS A 18 -1.256 4.779 -13.233 1.00 0.00 O ATOM 282 CB LYS A 18 -2.167 1.772 -13.915 1.00 0.00 C ATOM 283 CG LYS A 18 -2.504 2.096 -15.361 1.00 0.00 C ATOM 284 CD LYS A 18 -3.295 0.973 -16.013 1.00 0.00 C ATOM 285 CE LYS A 18 -3.644 1.304 -17.455 1.00 0.00 C ATOM 286 NZ LYS A 18 -4.941 0.698 -17.866 1.00 0.00 N ATOM 0 H LYS A 18 -0.670 0.874 -12.023 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.257 2.687 -14.294 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.089 0.691 -13.802 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.987 2.101 -13.277 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.080 3.020 -15.403 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.584 2.267 -15.921 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.715 0.051 -15.980 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.210 0.794 -15.448 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.694 2.386 -17.577 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.851 0.945 -18.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.143 0.947 -18.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.886 -0.336 -17.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.702 1.059 -17.256 1.00 0.00 H new ATOM 300 N LEU A 19 -1.356 3.564 -11.343 1.00 0.00 N ATOM 301 CA LEU A 19 -1.661 4.711 -10.493 1.00 0.00 C ATOM 302 C LEU A 19 -3.041 5.278 -10.819 1.00 0.00 C ATOM 303 O LEU A 19 -3.300 6.463 -10.611 1.00 0.00 O ATOM 304 CB LEU A 19 -0.597 5.800 -10.660 1.00 0.00 C ATOM 305 CG LEU A 19 0.282 6.039 -9.430 1.00 0.00 C ATOM 306 CD1 LEU A 19 1.656 5.420 -9.628 1.00 0.00 C ATOM 307 CD2 LEU A 19 0.403 7.528 -9.139 1.00 0.00 C ATOM 0 H LEU A 19 -1.295 2.675 -10.846 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.661 4.371 -9.457 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.044 5.534 -11.500 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.093 6.735 -10.921 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.190 5.560 -8.572 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.267 5.600 -8.743 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.552 4.346 -9.785 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.136 5.869 -10.498 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.032 7.677 -8.261 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.851 8.031 -9.996 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.587 7.944 -8.951 1.00 0.00 H new ATOM 319 N THR A 20 -3.921 4.424 -11.331 1.00 0.00 N ATOM 320 CA THR A 20 -5.271 4.842 -11.685 1.00 0.00 C ATOM 321 C THR A 20 -6.297 3.815 -11.217 1.00 0.00 C ATOM 322 O THR A 20 -6.368 2.707 -11.748 1.00 0.00 O ATOM 323 CB THR A 20 -5.384 5.040 -13.197 1.00 0.00 C ATOM 324 OG1 THR A 20 -4.202 5.623 -13.716 1.00 0.00 O ATOM 325 CG2 THR A 20 -6.545 5.923 -13.600 1.00 0.00 C ATOM 0 H THR A 20 -3.723 3.439 -11.510 1.00 0.00 H new ATOM 0 HA THR A 20 -5.476 5.788 -11.185 1.00 0.00 H new ATOM 0 HB THR A 20 -5.547 4.043 -13.607 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.293 5.740 -14.685 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.567 6.022 -14.685 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.478 5.476 -13.257 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.427 6.908 -13.148 1.00 0.00 H new ATOM 333 N VAL A 21 -7.091 4.192 -10.221 1.00 0.00 N ATOM 334 CA VAL A 21 -8.114 3.304 -9.683 1.00 0.00 C ATOM 335 C VAL A 21 -9.246 3.107 -10.685 1.00 0.00 C ATOM 336 O VAL A 21 -9.953 4.053 -11.031 1.00 0.00 O ATOM 337 CB VAL A 21 -8.699 3.846 -8.364 1.00 0.00 C ATOM 338 CG1 VAL A 21 -9.475 2.757 -7.638 1.00 0.00 C ATOM 339 CG2 VAL A 21 -7.597 4.405 -7.475 1.00 0.00 C ATOM 0 H VAL A 21 -7.046 5.106 -9.770 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.630 2.347 -9.487 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.387 4.657 -8.602 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -9.881 3.157 -6.709 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -10.292 2.409 -8.271 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.809 1.924 -7.414 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.032 4.782 -6.550 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.881 3.617 -7.244 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.088 5.217 -7.994 1.00 0.00 H new ATOM 349 N GLU A 22 -9.409 1.873 -11.151 1.00 0.00 N ATOM 350 CA GLU A 22 -10.452 1.553 -12.117 1.00 0.00 C ATOM 351 C GLU A 22 -11.834 1.635 -11.476 1.00 0.00 C ATOM 352 O GLU A 22 -12.073 1.058 -10.416 1.00 0.00 O ATOM 353 CB GLU A 22 -10.227 0.155 -12.698 1.00 0.00 C ATOM 354 CG GLU A 22 -10.439 0.080 -14.202 1.00 0.00 C ATOM 355 CD GLU A 22 -11.677 -0.711 -14.578 1.00 0.00 C ATOM 356 OE1 GLU A 22 -12.795 -0.188 -14.389 1.00 0.00 O ATOM 357 OE2 GLU A 22 -11.528 -1.853 -15.061 1.00 0.00 O ATOM 0 H GLU A 22 -8.832 1.079 -10.875 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.403 2.286 -12.922 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.212 -0.167 -12.466 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.903 -0.546 -12.209 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.521 1.090 -14.604 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.565 -0.378 -14.666 1.00 0.00 H new ATOM 364 N THR A 23 -12.740 2.356 -12.129 1.00 0.00 N ATOM 365 CA THR A 23 -14.098 2.514 -11.626 1.00 0.00 C ATOM 366 C THR A 23 -15.118 2.124 -12.693 1.00 0.00 C ATOM 367 O THR A 23 -14.832 2.186 -13.889 1.00 0.00 O ATOM 368 CB THR A 23 -14.336 3.958 -11.179 1.00 0.00 C ATOM 369 OG1 THR A 23 -14.533 4.804 -12.298 1.00 0.00 O ATOM 370 CG2 THR A 23 -13.194 4.530 -10.366 1.00 0.00 C ATOM 0 H THR A 23 -12.557 2.840 -13.008 1.00 0.00 H new ATOM 0 HA THR A 23 -14.222 1.853 -10.768 1.00 0.00 H new ATOM 0 HB THR A 23 -15.225 3.922 -10.550 1.00 0.00 H new ATOM 0 HG1 THR A 23 -15.244 5.449 -12.100 1.00 0.00 H new ATOM 0 HG21 THR A 23 -13.428 5.556 -10.082 1.00 0.00 H new ATOM 0 HG22 THR A 23 -13.049 3.929 -9.468 1.00 0.00 H new ATOM 0 HG23 THR A 23 -12.281 4.518 -10.962 1.00 0.00 H new ATOM 378 N PRO A 24 -16.327 1.716 -12.273 1.00 0.00 N ATOM 379 CA PRO A 24 -17.391 1.316 -13.197 1.00 0.00 C ATOM 380 C PRO A 24 -17.950 2.493 -13.993 1.00 0.00 C ATOM 381 O PRO A 24 -18.711 2.305 -14.942 1.00 0.00 O ATOM 382 CB PRO A 24 -18.462 0.735 -12.272 1.00 0.00 C ATOM 383 CG PRO A 24 -18.234 1.397 -10.962 1.00 0.00 C ATOM 384 CD PRO A 24 -16.753 1.614 -10.865 1.00 0.00 C ATOM 0 HA PRO A 24 -17.032 0.615 -13.951 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -19.464 0.940 -12.649 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -18.368 -0.348 -12.189 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.772 2.343 -10.903 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -18.592 0.775 -10.142 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -16.516 2.520 -10.307 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -16.259 0.787 -10.355 1.00 0.00 H new ATOM 392 N GLU A 25 -17.570 3.707 -13.602 1.00 0.00 N ATOM 393 CA GLU A 25 -18.037 4.909 -14.284 1.00 0.00 C ATOM 394 C GLU A 25 -16.900 5.572 -15.057 1.00 0.00 C ATOM 395 O GLU A 25 -17.118 6.172 -16.109 1.00 0.00 O ATOM 396 CB GLU A 25 -18.631 5.894 -13.274 1.00 0.00 C ATOM 397 CG GLU A 25 -20.031 6.363 -13.635 1.00 0.00 C ATOM 398 CD GLU A 25 -20.037 7.732 -14.286 1.00 0.00 C ATOM 399 OE1 GLU A 25 -19.451 7.872 -15.380 1.00 0.00 O ATOM 400 OE2 GLU A 25 -20.629 8.665 -13.702 1.00 0.00 O ATOM 0 H GLU A 25 -16.941 3.883 -12.818 1.00 0.00 H new ATOM 0 HA GLU A 25 -18.811 4.619 -14.994 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -18.656 5.423 -12.291 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -17.975 6.761 -13.195 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -20.489 5.641 -14.311 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -20.645 6.390 -12.735 1.00 0.00 H new ATOM 407 N GLY A 26 -15.686 5.460 -14.527 1.00 0.00 N ATOM 408 CA GLY A 26 -14.534 6.053 -15.180 1.00 0.00 C ATOM 409 C GLY A 26 -13.222 5.616 -14.557 1.00 0.00 C ATOM 410 O GLY A 26 -12.890 4.431 -14.561 1.00 0.00 O ATOM 0 H GLY A 26 -15.480 4.969 -13.657 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.539 5.781 -16.236 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -14.612 7.139 -15.130 1.00 0.00 H new ATOM 414 N SER A 27 -12.476 6.576 -14.020 1.00 0.00 N ATOM 415 CA SER A 27 -11.193 6.285 -13.391 1.00 0.00 C ATOM 416 C SER A 27 -10.815 7.381 -12.399 1.00 0.00 C ATOM 417 O SER A 27 -11.456 8.430 -12.345 1.00 0.00 O ATOM 418 CB SER A 27 -10.102 6.143 -14.454 1.00 0.00 C ATOM 419 OG SER A 27 -9.208 5.092 -14.130 1.00 0.00 O ATOM 0 H SER A 27 -12.738 7.562 -14.008 1.00 0.00 H new ATOM 0 HA SER A 27 -11.285 5.344 -12.848 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.559 5.950 -15.425 1.00 0.00 H new ATOM 0 HB3 SER A 27 -9.551 7.079 -14.541 1.00 0.00 H new ATOM 0 HG SER A 27 -8.732 4.807 -14.938 1.00 0.00 H new ATOM 425 N VAL A 28 -9.771 7.130 -11.616 1.00 0.00 N ATOM 426 CA VAL A 28 -9.311 8.096 -10.626 1.00 0.00 C ATOM 427 C VAL A 28 -7.804 8.309 -10.720 1.00 0.00 C ATOM 428 O VAL A 28 -7.040 7.357 -10.878 1.00 0.00 O ATOM 429 CB VAL A 28 -9.665 7.645 -9.195 1.00 0.00 C ATOM 430 CG1 VAL A 28 -9.321 8.734 -8.190 1.00 0.00 C ATOM 431 CG2 VAL A 28 -11.136 7.269 -9.100 1.00 0.00 C ATOM 0 H VAL A 28 -9.228 6.267 -11.648 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.821 9.035 -10.842 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.072 6.762 -8.957 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.578 8.397 -7.186 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.254 8.950 -8.238 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -9.884 9.637 -8.425 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -11.366 6.953 -8.082 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -11.750 8.132 -9.360 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -11.348 6.452 -9.790 1.00 0.00 H new ATOM 441 N HIS A 29 -7.383 9.566 -10.618 1.00 0.00 N ATOM 442 CA HIS A 29 -5.967 9.908 -10.686 1.00 0.00 C ATOM 443 C HIS A 29 -5.450 10.325 -9.312 1.00 0.00 C ATOM 444 O HIS A 29 -6.219 10.768 -8.460 1.00 0.00 O ATOM 445 CB HIS A 29 -5.740 11.035 -11.696 1.00 0.00 C ATOM 446 CG HIS A 29 -4.523 10.841 -12.546 1.00 0.00 C ATOM 447 ND1 HIS A 29 -4.241 11.622 -13.647 1.00 0.00 N ATOM 448 CD2 HIS A 29 -3.509 9.948 -12.451 1.00 0.00 C ATOM 449 CE1 HIS A 29 -3.108 11.217 -14.193 1.00 0.00 C ATOM 450 NE2 HIS A 29 -2.644 10.203 -13.487 1.00 0.00 N ATOM 0 H HIS A 29 -8.003 10.365 -10.488 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.416 9.026 -11.013 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -6.615 11.115 -12.341 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -5.652 11.980 -11.160 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -3.401 9.179 -11.701 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -2.641 11.643 -15.068 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -1.783 9.692 -13.680 1.00 0.00 H new ATOM 459 N LEU A 30 -4.146 10.176 -9.100 1.00 0.00 N ATOM 460 CA LEU A 30 -3.540 10.535 -7.822 1.00 0.00 C ATOM 461 C LEU A 30 -2.019 10.567 -7.923 1.00 0.00 C ATOM 462 O LEU A 30 -1.443 10.130 -8.919 1.00 0.00 O ATOM 463 CB LEU A 30 -3.961 9.538 -6.740 1.00 0.00 C ATOM 464 CG LEU A 30 -3.689 8.068 -7.072 1.00 0.00 C ATOM 465 CD1 LEU A 30 -2.197 7.780 -7.046 1.00 0.00 C ATOM 466 CD2 LEU A 30 -4.421 7.158 -6.100 1.00 0.00 C ATOM 0 H LEU A 30 -3.492 9.811 -9.792 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.890 11.532 -7.555 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.441 9.788 -5.815 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.027 9.660 -6.550 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.060 7.871 -8.078 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.025 6.730 -7.284 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.693 8.407 -7.782 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.802 7.996 -6.053 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.216 6.117 -6.351 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.080 7.360 -5.085 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.493 7.343 -6.166 1.00 0.00 H new ATOM 478 N THR A 31 -1.375 11.077 -6.878 1.00 0.00 N ATOM 479 CA THR A 31 0.079 11.152 -6.839 1.00 0.00 C ATOM 480 C THR A 31 0.662 9.827 -6.350 1.00 0.00 C ATOM 481 O THR A 31 0.151 9.231 -5.403 1.00 0.00 O ATOM 482 CB THR A 31 0.532 12.291 -5.924 1.00 0.00 C ATOM 483 OG1 THR A 31 0.322 11.954 -4.565 1.00 0.00 O ATOM 484 CG2 THR A 31 -0.188 13.596 -6.190 1.00 0.00 C ATOM 0 H THR A 31 -1.839 11.444 -6.047 1.00 0.00 H new ATOM 0 HA THR A 31 0.442 11.349 -7.848 1.00 0.00 H new ATOM 0 HB THR A 31 1.592 12.430 -6.138 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.619 12.694 -3.995 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.181 14.361 -5.507 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.006 13.909 -7.218 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.258 13.459 -6.037 1.00 0.00 H new ATOM 492 N PRO A 32 1.738 9.341 -6.992 1.00 0.00 N ATOM 493 CA PRO A 32 2.373 8.075 -6.611 1.00 0.00 C ATOM 494 C PRO A 32 3.083 8.148 -5.264 1.00 0.00 C ATOM 495 O PRO A 32 3.507 7.126 -4.724 1.00 0.00 O ATOM 496 CB PRO A 32 3.383 7.830 -7.735 1.00 0.00 C ATOM 497 CG PRO A 32 3.686 9.184 -8.274 1.00 0.00 C ATOM 498 CD PRO A 32 2.415 9.976 -8.138 1.00 0.00 C ATOM 0 HA PRO A 32 1.638 7.278 -6.494 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.283 7.343 -7.359 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.968 7.181 -8.506 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.499 9.652 -7.719 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.002 9.128 -9.316 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.617 11.031 -7.951 1.00 0.00 H new ATOM 0 HD3 PRO A 32 1.809 9.922 -9.043 1.00 0.00 H new ATOM 506 N SER A 33 3.213 9.353 -4.722 1.00 0.00 N ATOM 507 CA SER A 33 3.875 9.533 -3.437 1.00 0.00 C ATOM 508 C SER A 33 2.996 9.038 -2.306 1.00 0.00 C ATOM 509 O SER A 33 3.430 8.253 -1.465 1.00 0.00 O ATOM 510 CB SER A 33 4.244 11.001 -3.221 1.00 0.00 C ATOM 511 OG SER A 33 5.233 11.136 -2.215 1.00 0.00 O ATOM 0 H SER A 33 2.871 10.214 -5.149 1.00 0.00 H new ATOM 0 HA SER A 33 4.792 8.944 -3.443 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.610 11.428 -4.155 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.355 11.565 -2.939 1.00 0.00 H new ATOM 0 HG SER A 33 5.243 10.331 -1.656 1.00 0.00 H new ATOM 517 N GLU A 34 1.755 9.486 -2.302 1.00 0.00 N ATOM 518 CA GLU A 34 0.806 9.071 -1.282 1.00 0.00 C ATOM 519 C GLU A 34 0.324 7.671 -1.585 1.00 0.00 C ATOM 520 O GLU A 34 0.169 6.843 -0.689 1.00 0.00 O ATOM 521 CB GLU A 34 -0.374 10.043 -1.205 1.00 0.00 C ATOM 522 CG GLU A 34 -0.026 11.368 -0.546 1.00 0.00 C ATOM 523 CD GLU A 34 -1.124 12.402 -0.696 1.00 0.00 C ATOM 524 OE1 GLU A 34 -2.298 12.065 -0.435 1.00 0.00 O ATOM 525 OE2 GLU A 34 -0.810 13.550 -1.075 1.00 0.00 O ATOM 0 H GLU A 34 1.379 10.137 -2.992 1.00 0.00 H new ATOM 0 HA GLU A 34 1.304 9.078 -0.312 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.744 10.233 -2.212 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.186 9.573 -0.651 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.169 11.202 0.514 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.895 11.756 -0.983 1.00 0.00 H new ATOM 532 N SER A 35 0.133 7.400 -2.860 1.00 0.00 N ATOM 533 CA SER A 35 -0.284 6.082 -3.286 1.00 0.00 C ATOM 534 C SER A 35 0.917 5.142 -3.259 1.00 0.00 C ATOM 535 O SER A 35 0.772 3.927 -3.385 1.00 0.00 O ATOM 536 CB SER A 35 -0.915 6.136 -4.678 1.00 0.00 C ATOM 537 OG SER A 35 0.036 5.851 -5.690 1.00 0.00 O ATOM 0 H SER A 35 0.260 8.073 -3.616 1.00 0.00 H new ATOM 0 HA SER A 35 -1.043 5.704 -2.601 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.735 5.420 -4.735 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.343 7.124 -4.847 1.00 0.00 H new ATOM 0 HG SER A 35 -0.377 5.289 -6.378 1.00 0.00 H new ATOM 543 N GLY A 36 2.109 5.719 -3.069 1.00 0.00 N ATOM 544 CA GLY A 36 3.310 4.921 -2.998 1.00 0.00 C ATOM 545 C GLY A 36 3.437 4.237 -1.658 1.00 0.00 C ATOM 546 O GLY A 36 3.991 3.142 -1.558 1.00 0.00 O ATOM 0 H GLY A 36 2.254 6.723 -2.964 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.299 4.173 -3.791 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.180 5.554 -3.169 1.00 0.00 H new ATOM 550 N ILE A 37 2.904 4.880 -0.623 1.00 0.00 N ATOM 551 CA ILE A 37 2.947 4.315 0.721 1.00 0.00 C ATOM 552 C ILE A 37 2.072 3.078 0.799 1.00 0.00 C ATOM 553 O ILE A 37 2.499 2.026 1.273 1.00 0.00 O ATOM 554 CB ILE A 37 2.497 5.337 1.790 1.00 0.00 C ATOM 555 CG1 ILE A 37 3.449 6.535 1.813 1.00 0.00 C ATOM 556 CG2 ILE A 37 2.428 4.686 3.166 1.00 0.00 C ATOM 557 CD1 ILE A 37 2.882 7.766 1.144 1.00 0.00 C ATOM 0 H ILE A 37 2.440 5.786 -0.688 1.00 0.00 H new ATOM 0 HA ILE A 37 3.983 4.046 0.927 1.00 0.00 H new ATOM 0 HB ILE A 37 1.499 5.688 1.529 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.695 6.774 2.848 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.381 6.259 1.319 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.109 5.424 3.902 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.713 3.863 3.144 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.412 4.304 3.438 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.609 8.576 1.197 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.662 7.544 0.100 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.966 8.067 1.652 1.00 0.00 H new ATOM 569 N LEU A 38 0.853 3.210 0.311 1.00 0.00 N ATOM 570 CA LEU A 38 -0.082 2.095 0.303 1.00 0.00 C ATOM 571 C LEU A 38 0.419 1.005 -0.635 1.00 0.00 C ATOM 572 O LEU A 38 0.048 -0.161 -0.508 1.00 0.00 O ATOM 573 CB LEU A 38 -1.478 2.561 -0.123 1.00 0.00 C ATOM 574 CG LEU A 38 -1.666 2.781 -1.627 1.00 0.00 C ATOM 575 CD1 LEU A 38 -2.196 1.519 -2.289 1.00 0.00 C ATOM 576 CD2 LEU A 38 -2.604 3.950 -1.883 1.00 0.00 C ATOM 0 H LEU A 38 0.485 4.075 -0.085 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.151 1.692 1.313 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.207 1.824 0.213 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.705 3.493 0.395 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.695 3.017 -2.063 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.323 1.694 -3.357 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.489 0.704 -2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.157 1.253 -1.848 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.725 4.091 -2.957 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.575 3.743 -1.432 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.185 4.855 -1.443 1.00 0.00 H new ATOM 588 N LYS A 39 1.271 1.401 -1.577 1.00 0.00 N ATOM 589 CA LYS A 39 1.836 0.471 -2.542 1.00 0.00 C ATOM 590 C LYS A 39 2.827 -0.466 -1.872 1.00 0.00 C ATOM 591 O LYS A 39 2.976 -1.618 -2.276 1.00 0.00 O ATOM 592 CB LYS A 39 2.519 1.233 -3.679 1.00 0.00 C ATOM 593 CG LYS A 39 2.685 0.416 -4.950 1.00 0.00 C ATOM 594 CD LYS A 39 4.108 0.494 -5.484 1.00 0.00 C ATOM 595 CE LYS A 39 4.278 -0.340 -6.743 1.00 0.00 C ATOM 596 NZ LYS A 39 5.681 -0.316 -7.240 1.00 0.00 N ATOM 0 H LYS A 39 1.584 2.365 -1.690 1.00 0.00 H new ATOM 0 HA LYS A 39 1.023 -0.125 -2.956 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.938 2.127 -3.906 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.500 1.568 -3.342 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.427 -0.624 -4.751 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.991 0.777 -5.709 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.361 1.533 -5.698 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.804 0.147 -4.720 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.983 -1.369 -6.539 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.611 0.035 -7.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.755 -0.897 -8.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.955 0.663 -7.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.315 -0.698 -6.509 1.00 0.00 H new ATOM 610 N ARG A 40 3.501 0.033 -0.845 1.00 0.00 N ATOM 611 CA ARG A 40 4.475 -0.773 -0.121 1.00 0.00 C ATOM 612 C ARG A 40 3.784 -1.662 0.900 1.00 0.00 C ATOM 613 O ARG A 40 4.241 -2.768 1.188 1.00 0.00 O ATOM 614 CB ARG A 40 5.514 0.118 0.562 1.00 0.00 C ATOM 615 CG ARG A 40 6.764 0.344 -0.272 1.00 0.00 C ATOM 616 CD ARG A 40 6.435 0.963 -1.622 1.00 0.00 C ATOM 617 NE ARG A 40 6.836 0.101 -2.732 1.00 0.00 N ATOM 618 CZ ARG A 40 8.101 -0.206 -3.013 1.00 0.00 C ATOM 619 NH1 ARG A 40 9.088 0.276 -2.268 1.00 0.00 N ATOM 620 NH2 ARG A 40 8.379 -0.996 -4.041 1.00 0.00 N ATOM 0 H ARG A 40 3.393 0.985 -0.496 1.00 0.00 H new ATOM 0 HA ARG A 40 4.989 -1.411 -0.840 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.060 1.082 0.790 1.00 0.00 H new ATOM 0 HB3 ARG A 40 5.798 -0.333 1.513 1.00 0.00 H new ATOM 0 HG2 ARG A 40 7.450 0.995 0.270 1.00 0.00 H new ATOM 0 HG3 ARG A 40 7.278 -0.605 -0.422 1.00 0.00 H new ATOM 0 HD2 ARG A 40 5.364 1.155 -1.681 1.00 0.00 H new ATOM 0 HD3 ARG A 40 6.937 1.926 -1.711 1.00 0.00 H new ATOM 0 HE ARG A 40 6.104 -0.288 -3.326 1.00 0.00 H new ATOM 0 HH11 ARG A 40 8.879 0.884 -1.476 1.00 0.00 H new ATOM 0 HH12 ARG A 40 10.055 0.038 -2.487 1.00 0.00 H new ATOM 0 HH21 ARG A 40 7.624 -1.369 -4.617 1.00 0.00 H new ATOM 0 HH22 ARG A 40 9.348 -1.231 -4.256 1.00 0.00 H new ATOM 634 N LEU A 41 2.671 -1.180 1.427 1.00 0.00 N ATOM 635 CA LEU A 41 1.902 -1.945 2.397 1.00 0.00 C ATOM 636 C LEU A 41 1.020 -2.958 1.681 1.00 0.00 C ATOM 637 O LEU A 41 0.599 -3.955 2.268 1.00 0.00 O ATOM 638 CB LEU A 41 1.050 -1.017 3.268 1.00 0.00 C ATOM 639 CG LEU A 41 1.797 0.167 3.892 1.00 0.00 C ATOM 640 CD1 LEU A 41 0.950 0.819 4.974 1.00 0.00 C ATOM 641 CD2 LEU A 41 3.139 -0.279 4.459 1.00 0.00 C ATOM 0 H LEU A 41 2.280 -0.266 1.201 1.00 0.00 H new ATOM 0 HA LEU A 41 2.596 -2.478 3.047 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.230 -0.630 2.663 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.604 -1.606 4.069 1.00 0.00 H new ATOM 0 HG LEU A 41 1.986 0.903 3.110 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.495 1.658 5.407 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.017 1.178 4.539 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.730 0.089 5.753 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.652 0.577 4.897 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.976 -1.036 5.227 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.750 -0.698 3.660 1.00 0.00 H new ATOM 653 N LEU A 42 0.761 -2.706 0.400 1.00 0.00 N ATOM 654 CA LEU A 42 -0.052 -3.608 -0.399 1.00 0.00 C ATOM 655 C LEU A 42 0.756 -4.838 -0.791 1.00 0.00 C ATOM 656 O LEU A 42 0.195 -5.901 -1.056 1.00 0.00 O ATOM 657 CB LEU A 42 -0.578 -2.899 -1.649 1.00 0.00 C ATOM 658 CG LEU A 42 -2.081 -2.616 -1.646 1.00 0.00 C ATOM 659 CD1 LEU A 42 -2.868 -3.917 -1.693 1.00 0.00 C ATOM 660 CD2 LEU A 42 -2.470 -1.801 -0.421 1.00 0.00 C ATOM 0 H LEU A 42 1.103 -1.887 -0.102 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.905 -3.924 0.201 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.046 -1.955 -1.764 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.340 -3.508 -2.521 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.323 -2.034 -2.536 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.936 -3.697 -1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.613 -4.464 -2.601 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.620 -4.524 -0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.543 -1.610 -0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.214 -2.356 0.482 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.932 -0.853 -0.429 1.00 0.00 H new ATOM 672 N ILE A 43 2.078 -4.692 -0.814 1.00 0.00 N ATOM 673 CA ILE A 43 2.950 -5.807 -1.161 1.00 0.00 C ATOM 674 C ILE A 43 2.906 -6.872 -0.072 1.00 0.00 C ATOM 675 O ILE A 43 3.075 -8.060 -0.344 1.00 0.00 O ATOM 676 CB ILE A 43 4.418 -5.372 -1.372 1.00 0.00 C ATOM 677 CG1 ILE A 43 4.496 -3.969 -1.985 1.00 0.00 C ATOM 678 CG2 ILE A 43 5.133 -6.382 -2.259 1.00 0.00 C ATOM 679 CD1 ILE A 43 5.908 -3.524 -2.306 1.00 0.00 C ATOM 0 H ILE A 43 2.564 -3.821 -0.599 1.00 0.00 H new ATOM 0 HA ILE A 43 2.577 -6.208 -2.103 1.00 0.00 H new ATOM 0 HB ILE A 43 4.911 -5.338 -0.400 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.901 -3.947 -2.898 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.047 -3.255 -1.295 1.00 0.00 H new ATOM 0 HG21 ILE A 43 6.167 -6.070 -2.404 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.113 -7.363 -1.783 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.631 -6.437 -3.225 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.885 -2.523 -2.736 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.502 -3.513 -1.392 1.00 0.00 H new ATOM 0 HD13 ILE A 43 6.354 -4.216 -3.021 1.00 0.00 H new ATOM 691 N ASN A 44 2.675 -6.436 1.165 1.00 0.00 N ATOM 692 CA ASN A 44 2.604 -7.354 2.295 1.00 0.00 C ATOM 693 C ASN A 44 1.160 -7.723 2.603 1.00 0.00 C ATOM 694 O ASN A 44 0.818 -8.898 2.737 1.00 0.00 O ATOM 695 CB ASN A 44 3.262 -6.734 3.529 1.00 0.00 C ATOM 696 CG ASN A 44 4.776 -6.797 3.469 1.00 0.00 C ATOM 697 OD1 ASN A 44 5.444 -5.782 3.273 1.00 0.00 O ATOM 698 ND2 ASN A 44 5.326 -7.994 3.638 1.00 0.00 N ATOM 0 H ASN A 44 2.534 -5.455 1.408 1.00 0.00 H new ATOM 0 HA ASN A 44 3.143 -8.263 2.027 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.948 -5.694 3.622 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.914 -7.253 4.422 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.340 -8.098 3.608 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.734 -8.809 3.798 1.00 0.00 H new ATOM 705 N LYS A 45 0.321 -6.707 2.708 1.00 0.00 N ATOM 706 CA LYS A 45 -1.096 -6.902 2.996 1.00 0.00 C ATOM 707 C LYS A 45 -1.293 -7.750 4.248 1.00 0.00 C ATOM 708 O LYS A 45 -1.396 -8.974 4.171 1.00 0.00 O ATOM 709 CB LYS A 45 -1.791 -7.563 1.804 1.00 0.00 C ATOM 710 CG LYS A 45 -2.331 -6.569 0.789 1.00 0.00 C ATOM 711 CD LYS A 45 -3.478 -5.754 1.363 1.00 0.00 C ATOM 712 CE LYS A 45 -3.014 -4.379 1.818 1.00 0.00 C ATOM 713 NZ LYS A 45 -3.645 -3.978 3.105 1.00 0.00 N ATOM 0 H LYS A 45 0.596 -5.731 2.598 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.540 -5.923 3.174 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.087 -8.231 1.308 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.612 -8.180 2.169 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.531 -5.900 0.472 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.671 -7.102 -0.099 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.260 -5.645 0.611 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.918 -6.287 2.205 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.930 -4.380 1.930 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.254 -3.643 1.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.138 -3.160 3.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.639 -3.722 2.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.599 -4.771 3.776 1.00 0.00 H new ATOM 727 N GLY A 46 -1.344 -7.092 5.401 1.00 0.00 N ATOM 728 CA GLY A 46 -1.528 -7.803 6.652 1.00 0.00 C ATOM 729 C GLY A 46 -0.229 -8.351 7.207 1.00 0.00 C ATOM 730 O GLY A 46 0.006 -9.559 7.180 1.00 0.00 O ATOM 0 H GLY A 46 -1.261 -6.079 5.491 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.977 -7.132 7.384 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.229 -8.624 6.499 1.00 0.00 H new ATOM 734 N GLN A 47 0.618 -7.461 7.713 1.00 0.00 N ATOM 735 CA GLN A 47 1.900 -7.860 8.277 1.00 0.00 C ATOM 736 C GLN A 47 2.329 -6.898 9.380 1.00 0.00 C ATOM 737 O GLN A 47 1.723 -5.843 9.567 1.00 0.00 O ATOM 738 CB GLN A 47 2.968 -7.914 7.183 1.00 0.00 C ATOM 739 CG GLN A 47 3.256 -9.320 6.682 1.00 0.00 C ATOM 740 CD GLN A 47 4.124 -10.114 7.639 1.00 0.00 C ATOM 741 OE1 GLN A 47 3.769 -11.221 8.045 1.00 0.00 O ATOM 742 NE2 GLN A 47 5.269 -9.551 8.005 1.00 0.00 N ATOM 0 H GLN A 47 0.438 -6.457 7.744 1.00 0.00 H new ATOM 0 HA GLN A 47 1.787 -8.854 8.710 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.648 -7.297 6.344 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.891 -7.478 7.566 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.314 -9.847 6.529 1.00 0.00 H new ATOM 0 HG3 GLN A 47 3.750 -9.262 5.712 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.524 -8.632 7.644 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.894 -10.038 8.647 1.00 0.00 H new ATOM 751 N LEU A 48 3.376 -7.270 10.108 1.00 0.00 N ATOM 752 CA LEU A 48 3.884 -6.438 11.191 1.00 0.00 C ATOM 753 C LEU A 48 5.026 -5.550 10.710 1.00 0.00 C ATOM 754 O LEU A 48 6.032 -6.038 10.196 1.00 0.00 O ATOM 755 CB LEU A 48 4.357 -7.310 12.357 1.00 0.00 C ATOM 756 CG LEU A 48 4.828 -6.542 13.594 1.00 0.00 C ATOM 757 CD1 LEU A 48 3.820 -5.468 13.976 1.00 0.00 C ATOM 758 CD2 LEU A 48 5.055 -7.497 14.756 1.00 0.00 C ATOM 0 H LEU A 48 3.888 -8.141 9.968 1.00 0.00 H new ATOM 0 HA LEU A 48 3.070 -5.798 11.532 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.542 -7.973 12.649 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.173 -7.943 12.009 1.00 0.00 H new ATOM 0 HG LEU A 48 5.773 -6.054 13.356 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.174 -4.934 14.858 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.704 -4.767 13.149 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.859 -5.933 14.195 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.390 -6.936 15.628 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.123 -8.012 14.991 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.815 -8.229 14.482 1.00 0.00 H new ATOM 770 N CYS A 49 4.861 -4.242 10.881 1.00 0.00 N ATOM 771 CA CYS A 49 5.875 -3.279 10.468 1.00 0.00 C ATOM 772 C CYS A 49 6.035 -2.182 11.515 1.00 0.00 C ATOM 773 O CYS A 49 5.241 -2.083 12.449 1.00 0.00 O ATOM 774 CB CYS A 49 5.505 -2.663 9.117 1.00 0.00 C ATOM 775 SG CYS A 49 6.187 -3.545 7.693 1.00 0.00 S ATOM 0 H CYS A 49 4.032 -3.824 11.304 1.00 0.00 H new ATOM 0 HA CYS A 49 6.824 -3.805 10.369 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.419 -2.635 9.028 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.854 -1.631 9.093 1.00 0.00 H new ATOM 0 HG CYS A 49 5.818 -2.951 6.597 1.00 0.00 H new ATOM 781 N LEU A 50 7.065 -1.359 11.352 1.00 0.00 N ATOM 782 CA LEU A 50 7.326 -0.267 12.284 1.00 0.00 C ATOM 783 C LEU A 50 7.106 1.082 11.607 1.00 0.00 C ATOM 784 O LEU A 50 7.388 1.244 10.420 1.00 0.00 O ATOM 785 CB LEU A 50 8.755 -0.355 12.826 1.00 0.00 C ATOM 786 CG LEU A 50 9.078 -1.636 13.598 1.00 0.00 C ATOM 787 CD1 LEU A 50 8.059 -1.864 14.703 1.00 0.00 C ATOM 788 CD2 LEU A 50 9.120 -2.828 12.655 1.00 0.00 C ATOM 0 H LEU A 50 7.733 -1.427 10.584 1.00 0.00 H new ATOM 0 HA LEU A 50 6.628 -0.357 13.117 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.450 -0.267 11.991 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.933 0.499 13.479 1.00 0.00 H new ATOM 0 HG LEU A 50 10.061 -1.525 14.056 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.305 -2.779 15.241 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.077 -1.021 15.394 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.064 -1.955 14.267 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.351 -3.731 13.220 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.151 -2.942 12.169 1.00 0.00 H new ATOM 0 HD23 LEU A 50 9.888 -2.667 11.899 1.00 0.00 H new ATOM 800 N ARG A 51 6.594 2.045 12.365 1.00 0.00 N ATOM 801 CA ARG A 51 6.332 3.375 11.831 1.00 0.00 C ATOM 802 C ARG A 51 7.620 4.058 11.396 1.00 0.00 C ATOM 803 O ARG A 51 7.620 4.880 10.480 1.00 0.00 O ATOM 804 CB ARG A 51 5.606 4.235 12.868 1.00 0.00 C ATOM 805 CG ARG A 51 6.345 4.344 14.191 1.00 0.00 C ATOM 806 CD ARG A 51 5.635 5.286 15.150 1.00 0.00 C ATOM 807 NE ARG A 51 6.572 5.989 16.023 1.00 0.00 N ATOM 808 CZ ARG A 51 6.224 6.982 16.838 1.00 0.00 C ATOM 809 NH1 ARG A 51 4.963 7.393 16.895 1.00 0.00 N ATOM 810 NH2 ARG A 51 7.140 7.566 17.598 1.00 0.00 N ATOM 0 H ARG A 51 6.353 1.929 13.349 1.00 0.00 H new ATOM 0 HA ARG A 51 5.694 3.262 10.955 1.00 0.00 H new ATOM 0 HB2 ARG A 51 5.459 5.235 12.460 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.616 3.815 13.048 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.429 3.356 14.645 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.360 4.700 14.014 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.055 6.013 14.581 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.929 4.720 15.757 1.00 0.00 H new ATOM 0 HE ARG A 51 7.551 5.702 16.007 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.254 6.947 16.312 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.703 8.155 17.522 1.00 0.00 H new ATOM 0 HH21 ARG A 51 8.110 7.254 17.558 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.874 8.327 18.223 1.00 0.00 H new ATOM 824 N LYS A 52 8.716 3.709 12.052 1.00 0.00 N ATOM 825 CA LYS A 52 10.012 4.287 11.720 1.00 0.00 C ATOM 826 C LYS A 52 10.709 3.470 10.643 1.00 0.00 C ATOM 827 O LYS A 52 11.633 3.947 9.987 1.00 0.00 O ATOM 828 CB LYS A 52 10.894 4.392 12.965 1.00 0.00 C ATOM 829 CG LYS A 52 10.244 5.155 14.109 1.00 0.00 C ATOM 830 CD LYS A 52 11.125 6.296 14.593 1.00 0.00 C ATOM 831 CE LYS A 52 10.756 7.609 13.921 1.00 0.00 C ATOM 832 NZ LYS A 52 9.634 8.295 14.618 1.00 0.00 N ATOM 0 H LYS A 52 8.736 3.032 12.814 1.00 0.00 H new ATOM 0 HA LYS A 52 9.843 5.292 11.332 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.147 3.388 13.306 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.829 4.883 12.697 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.282 5.550 13.783 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.045 4.473 14.935 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.027 6.399 15.674 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.170 6.062 14.388 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.627 8.264 13.903 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.478 7.420 12.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.414 9.186 14.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.795 7.681 14.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.908 8.499 15.600 1.00 0.00 H new ATOM 846 N HIS A 53 10.245 2.246 10.446 1.00 0.00 N ATOM 847 CA HIS A 53 10.799 1.384 9.420 1.00 0.00 C ATOM 848 C HIS A 53 10.023 1.579 8.127 1.00 0.00 C ATOM 849 O HIS A 53 10.543 1.364 7.032 1.00 0.00 O ATOM 850 CB HIS A 53 10.741 -0.076 9.859 1.00 0.00 C ATOM 851 CG HIS A 53 11.265 -1.035 8.836 1.00 0.00 C ATOM 852 ND1 HIS A 53 10.646 -2.231 8.538 1.00 0.00 N ATOM 853 CD2 HIS A 53 12.357 -0.970 8.037 1.00 0.00 C ATOM 854 CE1 HIS A 53 11.335 -2.861 7.603 1.00 0.00 C ATOM 855 NE2 HIS A 53 12.377 -2.116 7.281 1.00 0.00 N ATOM 0 H HIS A 53 9.486 1.829 10.985 1.00 0.00 H new ATOM 0 HA HIS A 53 11.844 1.647 9.257 1.00 0.00 H new ATOM 0 HB2 HIS A 53 11.313 -0.192 10.779 1.00 0.00 H new ATOM 0 HB3 HIS A 53 9.708 -0.335 10.091 1.00 0.00 H new ATOM 0 HD2 HIS A 53 13.078 -0.166 8.001 1.00 0.00 H new ATOM 0 HE1 HIS A 53 11.088 -3.821 7.175 1.00 0.00 H new ATOM 0 HE2 HIS A 53 13.082 -2.354 6.584 1.00 0.00 H new ATOM 864 N LEU A 54 8.768 2.001 8.270 1.00 0.00 N ATOM 865 CA LEU A 54 7.908 2.242 7.125 1.00 0.00 C ATOM 866 C LEU A 54 8.400 3.444 6.340 1.00 0.00 C ATOM 867 O LEU A 54 8.331 3.467 5.112 1.00 0.00 O ATOM 868 CB LEU A 54 6.462 2.460 7.578 1.00 0.00 C ATOM 869 CG LEU A 54 5.401 1.774 6.713 1.00 0.00 C ATOM 870 CD1 LEU A 54 4.424 0.993 7.580 1.00 0.00 C ATOM 871 CD2 LEU A 54 4.662 2.797 5.862 1.00 0.00 C ATOM 0 H LEU A 54 8.328 2.182 9.172 1.00 0.00 H new ATOM 0 HA LEU A 54 7.940 1.365 6.478 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.360 2.102 8.603 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.260 3.531 7.593 1.00 0.00 H new ATOM 0 HG LEU A 54 5.904 1.072 6.047 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.678 0.513 6.946 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.965 0.233 8.143 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.928 1.673 8.272 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.912 2.291 5.254 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.173 3.524 6.510 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.371 3.309 5.212 1.00 0.00 H new ATOM 883 N LEU A 55 8.909 4.437 7.057 1.00 0.00 N ATOM 884 CA LEU A 55 9.426 5.641 6.418 1.00 0.00 C ATOM 885 C LEU A 55 10.562 5.294 5.464 1.00 0.00 C ATOM 886 O LEU A 55 10.787 5.983 4.470 1.00 0.00 O ATOM 887 CB LEU A 55 9.919 6.634 7.468 1.00 0.00 C ATOM 888 CG LEU A 55 10.915 6.051 8.466 1.00 0.00 C ATOM 889 CD1 LEU A 55 12.325 6.067 7.896 1.00 0.00 C ATOM 890 CD2 LEU A 55 10.857 6.803 9.785 1.00 0.00 C ATOM 0 H LEU A 55 8.975 4.434 8.075 1.00 0.00 H new ATOM 0 HA LEU A 55 8.616 6.099 5.851 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.384 7.480 6.961 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.060 7.023 8.015 1.00 0.00 H new ATOM 0 HG LEU A 55 10.639 5.013 8.654 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.017 5.647 8.626 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.355 5.473 6.983 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.615 7.093 7.671 1.00 0.00 H new ATOM 0 HD21 LEU A 55 11.575 6.371 10.482 1.00 0.00 H new ATOM 0 HD22 LEU A 55 11.101 7.852 9.617 1.00 0.00 H new ATOM 0 HD23 LEU A 55 9.854 6.726 10.204 1.00 0.00 H new ATOM 902 N GLU A 56 11.274 4.219 5.779 1.00 0.00 N ATOM 903 CA GLU A 56 12.392 3.773 4.955 1.00 0.00 C ATOM 904 C GLU A 56 11.914 3.265 3.599 1.00 0.00 C ATOM 905 O GLU A 56 12.679 3.232 2.635 1.00 0.00 O ATOM 906 CB GLU A 56 13.180 2.677 5.674 1.00 0.00 C ATOM 907 CG GLU A 56 13.955 3.177 6.882 1.00 0.00 C ATOM 908 CD GLU A 56 15.211 2.369 7.144 1.00 0.00 C ATOM 909 OE1 GLU A 56 15.112 1.316 7.808 1.00 0.00 O ATOM 910 OE2 GLU A 56 16.294 2.791 6.687 1.00 0.00 O ATOM 0 H GLU A 56 11.097 3.639 6.599 1.00 0.00 H new ATOM 0 HA GLU A 56 13.043 4.631 4.787 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.491 1.895 5.993 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.876 2.220 4.970 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.225 4.222 6.729 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.313 3.139 7.762 1.00 0.00 H new ATOM 917 N GLU A 57 10.648 2.872 3.527 1.00 0.00 N ATOM 918 CA GLU A 57 10.080 2.370 2.280 1.00 0.00 C ATOM 919 C GLU A 57 9.478 3.504 1.463 1.00 0.00 C ATOM 920 O GLU A 57 9.342 3.400 0.244 1.00 0.00 O ATOM 921 CB GLU A 57 9.023 1.299 2.561 1.00 0.00 C ATOM 922 CG GLU A 57 9.452 0.277 3.603 1.00 0.00 C ATOM 923 CD GLU A 57 9.740 -1.084 3.000 1.00 0.00 C ATOM 924 OE1 GLU A 57 10.878 -1.297 2.531 1.00 0.00 O ATOM 925 OE2 GLU A 57 8.829 -1.938 2.998 1.00 0.00 O ATOM 0 H GLU A 57 9.997 2.891 4.312 1.00 0.00 H new ATOM 0 HA GLU A 57 10.886 1.920 1.700 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.107 1.784 2.896 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.787 0.781 1.632 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.343 0.639 4.116 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.669 0.179 4.355 1.00 0.00 H new ATOM 932 N ILE A 58 9.145 4.595 2.137 1.00 0.00 N ATOM 933 CA ILE A 58 8.587 5.757 1.465 1.00 0.00 C ATOM 934 C ILE A 58 9.709 6.702 1.055 1.00 0.00 C ATOM 935 O ILE A 58 9.554 7.513 0.143 1.00 0.00 O ATOM 936 CB ILE A 58 7.572 6.512 2.349 1.00 0.00 C ATOM 937 CG1 ILE A 58 6.786 5.533 3.225 1.00 0.00 C ATOM 938 CG2 ILE A 58 6.622 7.324 1.481 1.00 0.00 C ATOM 939 CD1 ILE A 58 5.855 4.630 2.445 1.00 0.00 C ATOM 0 H ILE A 58 9.251 4.699 3.146 1.00 0.00 H new ATOM 0 HA ILE A 58 8.054 5.400 0.584 1.00 0.00 H new ATOM 0 HB ILE A 58 8.120 7.192 3.001 1.00 0.00 H new ATOM 0 HG12 ILE A 58 7.489 4.917 3.787 1.00 0.00 H new ATOM 0 HG13 ILE A 58 6.204 6.098 3.953 1.00 0.00 H new ATOM 0 HG21 ILE A 58 5.911 7.852 2.116 1.00 0.00 H new ATOM 0 HG22 ILE A 58 7.191 8.046 0.895 1.00 0.00 H new ATOM 0 HG23 ILE A 58 6.083 6.656 0.809 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.333 3.965 3.133 1.00 0.00 H new ATOM 0 HD12 ILE A 58 5.128 5.236 1.905 1.00 0.00 H new ATOM 0 HD13 ILE A 58 6.433 4.038 1.735 1.00 0.00 H new ATOM 951 N LYS A 59 10.852 6.570 1.727 1.00 0.00 N ATOM 952 CA LYS A 59 12.016 7.389 1.424 1.00 0.00 C ATOM 953 C LYS A 59 12.713 6.857 0.177 1.00 0.00 C ATOM 954 O LYS A 59 13.308 7.617 -0.586 1.00 0.00 O ATOM 955 CB LYS A 59 12.986 7.403 2.608 1.00 0.00 C ATOM 956 CG LYS A 59 13.310 8.801 3.113 1.00 0.00 C ATOM 957 CD LYS A 59 14.782 9.136 2.932 1.00 0.00 C ATOM 958 CE LYS A 59 15.066 10.592 3.260 1.00 0.00 C ATOM 959 NZ LYS A 59 14.888 10.881 4.710 1.00 0.00 N ATOM 0 H LYS A 59 10.993 5.902 2.485 1.00 0.00 H new ATOM 0 HA LYS A 59 11.686 8.411 1.239 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.558 6.821 3.424 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.912 6.908 2.314 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.702 9.531 2.579 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.046 8.877 4.168 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.384 8.493 3.574 1.00 0.00 H new ATOM 0 HD3 LYS A 59 15.080 8.929 1.904 1.00 0.00 H new ATOM 0 HE2 LYS A 59 16.086 10.838 2.963 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.402 11.231 2.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.042 11.895 4.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.923 10.622 5.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 15.575 10.328 5.261 1.00 0.00 H new ATOM 973 N ASN A 60 12.622 5.543 -0.031 1.00 0.00 N ATOM 974 CA ASN A 60 13.229 4.913 -1.190 1.00 0.00 C ATOM 975 C ASN A 60 12.230 4.847 -2.342 1.00 0.00 C ATOM 976 O ASN A 60 12.125 3.834 -3.034 1.00 0.00 O ATOM 977 CB ASN A 60 13.721 3.508 -0.839 1.00 0.00 C ATOM 978 CG ASN A 60 15.144 3.508 -0.315 1.00 0.00 C ATOM 979 OD1 ASN A 60 16.070 3.068 -0.997 1.00 0.00 O ATOM 980 ND2 ASN A 60 15.326 4.004 0.904 1.00 0.00 N ATOM 0 H ASN A 60 12.133 4.900 0.591 1.00 0.00 H new ATOM 0 HA ASN A 60 14.084 5.514 -1.501 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.061 3.071 -0.090 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.662 2.874 -1.724 1.00 0.00 H new ATOM 0 HD21 ASN A 60 16.262 4.031 1.309 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.530 4.358 1.435 1.00 0.00 H new ATOM 987 N HIS A 61 11.494 5.938 -2.535 1.00 0.00 N ATOM 988 CA HIS A 61 10.495 6.018 -3.591 1.00 0.00 C ATOM 989 C HIS A 61 9.966 7.444 -3.717 1.00 0.00 C ATOM 990 O HIS A 61 9.808 7.966 -4.821 1.00 0.00 O ATOM 991 CB HIS A 61 9.341 5.056 -3.299 1.00 0.00 C ATOM 992 CG HIS A 61 8.540 4.695 -4.511 1.00 0.00 C ATOM 993 ND1 HIS A 61 9.038 3.928 -5.542 1.00 0.00 N ATOM 994 CD2 HIS A 61 7.266 5.001 -4.854 1.00 0.00 C ATOM 995 CE1 HIS A 61 8.107 3.778 -6.467 1.00 0.00 C ATOM 996 NE2 HIS A 61 7.022 4.419 -6.073 1.00 0.00 N ATOM 0 H HIS A 61 11.573 6.783 -1.969 1.00 0.00 H new ATOM 0 HA HIS A 61 10.964 5.734 -4.533 1.00 0.00 H new ATOM 0 HB2 HIS A 61 9.742 4.145 -2.854 1.00 0.00 H new ATOM 0 HB3 HIS A 61 8.681 5.508 -2.559 1.00 0.00 H new ATOM 0 HD2 HIS A 61 6.571 5.593 -4.276 1.00 0.00 H new ATOM 0 HE1 HIS A 61 8.215 3.225 -7.389 1.00 0.00 H new ATOM 0 HE2 HIS A 61 6.145 4.473 -6.591 1.00 0.00 H new ATOM 1005 N ALA A 62 9.698 8.067 -2.573 1.00 0.00 N ATOM 1006 CA ALA A 62 9.191 9.435 -2.536 1.00 0.00 C ATOM 1007 C ALA A 62 8.920 9.870 -1.101 1.00 0.00 C ATOM 1008 O ALA A 62 7.895 9.515 -0.521 1.00 0.00 O ATOM 1009 CB ALA A 62 7.924 9.561 -3.370 1.00 0.00 C ATOM 0 H ALA A 62 9.825 7.643 -1.654 1.00 0.00 H new ATOM 0 HA ALA A 62 9.953 10.089 -2.960 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.562 10.588 -3.329 1.00 0.00 H new ATOM 0 HB2 ALA A 62 8.141 9.294 -4.404 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.160 8.891 -2.975 1.00 0.00 H new ATOM 1015 N LYS A 63 9.843 10.637 -0.531 1.00 0.00 N ATOM 1016 CA LYS A 63 9.699 11.115 0.841 1.00 0.00 C ATOM 1017 C LYS A 63 8.590 12.159 0.946 1.00 0.00 C ATOM 1018 O LYS A 63 8.839 13.308 1.312 1.00 0.00 O ATOM 1019 CB LYS A 63 11.021 11.704 1.339 1.00 0.00 C ATOM 1020 CG LYS A 63 11.005 12.074 2.814 1.00 0.00 C ATOM 1021 CD LYS A 63 12.355 12.602 3.273 1.00 0.00 C ATOM 1022 CE LYS A 63 12.203 13.821 4.168 1.00 0.00 C ATOM 1023 NZ LYS A 63 11.219 13.589 5.261 1.00 0.00 N ATOM 0 H LYS A 63 10.698 10.941 -0.996 1.00 0.00 H new ATOM 0 HA LYS A 63 9.428 10.265 1.467 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.820 10.984 1.162 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.257 12.592 0.753 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.239 12.829 2.992 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.735 11.200 3.406 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.889 11.819 3.811 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.960 12.861 2.404 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.171 14.077 4.599 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.885 14.674 3.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.454 14.193 6.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.263 13.820 4.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.251 12.591 5.551 1.00 0.00 H new ATOM 1037 N ALA A 64 7.364 11.749 0.626 1.00 0.00 N ATOM 1038 CA ALA A 64 6.209 12.642 0.685 1.00 0.00 C ATOM 1039 C ALA A 64 6.516 14.001 0.062 1.00 0.00 C ATOM 1040 O ALA A 64 7.064 14.885 0.720 1.00 0.00 O ATOM 1041 CB ALA A 64 5.751 12.813 2.125 1.00 0.00 C ATOM 0 H ALA A 64 7.145 10.800 0.322 1.00 0.00 H new ATOM 0 HA ALA A 64 5.406 12.186 0.105 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.890 13.481 2.156 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.473 11.843 2.536 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.562 13.239 2.716 1.00 0.00 H new ATOM 1047 N ILE A 65 6.155 14.165 -1.207 1.00 0.00 N ATOM 1048 CA ILE A 65 6.393 15.423 -1.905 1.00 0.00 C ATOM 1049 C ILE A 65 5.159 16.317 -1.860 1.00 0.00 C ATOM 1050 O ILE A 65 4.915 17.113 -2.765 1.00 0.00 O ATOM 1051 CB ILE A 65 6.819 15.186 -3.372 1.00 0.00 C ATOM 1052 CG1 ILE A 65 7.410 16.463 -3.978 1.00 0.00 C ATOM 1053 CG2 ILE A 65 5.641 14.694 -4.203 1.00 0.00 C ATOM 1054 CD1 ILE A 65 8.521 17.072 -3.148 1.00 0.00 C ATOM 0 H ILE A 65 5.699 13.447 -1.770 1.00 0.00 H new ATOM 0 HA ILE A 65 7.210 15.927 -1.388 1.00 0.00 H new ATOM 0 HB ILE A 65 7.589 14.415 -3.381 1.00 0.00 H new ATOM 0 HG12 ILE A 65 7.793 16.239 -4.974 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.615 17.198 -4.101 1.00 0.00 H new ATOM 0 HG21 ILE A 65 5.963 14.534 -5.232 1.00 0.00 H new ATOM 0 HG22 ILE A 65 5.270 13.757 -3.789 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.846 15.439 -4.184 1.00 0.00 H new ATOM 0 HD11 ILE A 65 8.890 17.972 -3.639 1.00 0.00 H new ATOM 0 HD12 ILE A 65 8.138 17.328 -2.160 1.00 0.00 H new ATOM 0 HD13 ILE A 65 9.335 16.354 -3.047 1.00 0.00 H new ATOM 1066 N VAL A 66 4.393 16.178 -0.787 1.00 0.00 N ATOM 1067 CA VAL A 66 3.181 16.966 -0.589 1.00 0.00 C ATOM 1068 C VAL A 66 2.815 17.022 0.891 1.00 0.00 C ATOM 1069 O VAL A 66 1.640 16.981 1.256 1.00 0.00 O ATOM 1070 CB VAL A 66 1.985 16.395 -1.381 1.00 0.00 C ATOM 1071 CG1 VAL A 66 0.793 17.336 -1.301 1.00 0.00 C ATOM 1072 CG2 VAL A 66 2.366 16.136 -2.831 1.00 0.00 C ATOM 0 H VAL A 66 4.591 15.521 -0.033 1.00 0.00 H new ATOM 0 HA VAL A 66 3.392 17.969 -0.958 1.00 0.00 H new ATOM 0 HB VAL A 66 1.704 15.443 -0.930 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.040 16.917 -1.865 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.499 17.463 -0.259 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.065 18.304 -1.721 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.506 15.734 -3.367 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.680 17.070 -3.297 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.185 15.418 -2.869 1.00 0.00 H new ATOM 1082 N ALA A 67 3.833 17.112 1.739 1.00 0.00 N ATOM 1083 CA ALA A 67 3.626 17.170 3.181 1.00 0.00 C ATOM 1084 C ALA A 67 4.929 17.482 3.911 1.00 0.00 C ATOM 1085 O ALA A 67 5.905 17.917 3.300 1.00 0.00 O ATOM 1086 CB ALA A 67 3.036 15.858 3.679 1.00 0.00 C ATOM 0 H ALA A 67 4.811 17.146 1.452 1.00 0.00 H new ATOM 0 HA ALA A 67 2.923 17.976 3.393 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.886 15.913 4.757 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.079 15.680 3.188 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.720 15.041 3.449 1.00 0.00 H new ATOM 1092 N ARG A 68 4.939 17.259 5.223 1.00 0.00 N ATOM 1093 CA ARG A 68 6.123 17.520 6.035 1.00 0.00 C ATOM 1094 C ARG A 68 6.761 16.221 6.518 1.00 0.00 C ATOM 1095 O ARG A 68 7.959 16.174 6.800 1.00 0.00 O ATOM 1096 CB ARG A 68 5.761 18.402 7.232 1.00 0.00 C ATOM 1097 CG ARG A 68 6.950 18.754 8.111 1.00 0.00 C ATOM 1098 CD ARG A 68 6.510 19.428 9.401 1.00 0.00 C ATOM 1099 NE ARG A 68 5.589 20.535 9.154 1.00 0.00 N ATOM 1100 CZ ARG A 68 4.780 21.047 10.080 1.00 0.00 C ATOM 1101 NH1 ARG A 68 4.776 20.556 11.313 1.00 0.00 N ATOM 1102 NH2 ARG A 68 3.973 22.053 9.772 1.00 0.00 N ATOM 0 H ARG A 68 4.141 16.898 5.746 1.00 0.00 H new ATOM 0 HA ARG A 68 6.848 18.042 5.411 1.00 0.00 H new ATOM 0 HB2 ARG A 68 5.303 19.322 6.869 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.012 17.890 7.836 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.511 17.849 8.345 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.624 19.415 7.566 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.029 18.694 10.048 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.386 19.797 9.934 1.00 0.00 H new ATOM 0 HE ARG A 68 5.564 20.939 8.218 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.395 19.782 11.556 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.154 20.952 12.018 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.972 22.435 8.826 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.353 22.445 10.481 1.00 0.00 H new ATOM 1116 N ASN A 69 5.955 15.171 6.610 1.00 0.00 N ATOM 1117 CA ASN A 69 6.439 13.869 7.058 1.00 0.00 C ATOM 1118 C ASN A 69 5.665 12.743 6.382 1.00 0.00 C ATOM 1119 O ASN A 69 4.825 12.990 5.517 1.00 0.00 O ATOM 1120 CB ASN A 69 6.315 13.750 8.578 1.00 0.00 C ATOM 1121 CG ASN A 69 6.923 14.935 9.302 1.00 0.00 C ATOM 1122 OD1 ASN A 69 6.137 15.992 9.470 1.00 0.00 O flip ATOM 1123 ND2 ASN A 69 8.086 14.902 9.704 1.00 0.00 N flip ATOM 0 H ASN A 69 4.961 15.194 6.380 1.00 0.00 H new ATOM 0 HA ASN A 69 7.489 13.783 6.780 1.00 0.00 H new ATOM 0 HB2 ASN A 69 5.263 13.664 8.848 1.00 0.00 H new ATOM 0 HB3 ASN A 69 6.805 12.835 8.909 1.00 0.00 H new ATOM 0 HD21 ASN A 69 8.654 14.069 9.553 1.00 0.00 H new ATOM 0 HD22 ASN A 69 8.481 15.708 10.188 1.00 0.00 H new ATOM 1130 N VAL A 70 5.950 11.505 6.779 1.00 0.00 N ATOM 1131 CA VAL A 70 5.272 10.350 6.203 1.00 0.00 C ATOM 1132 C VAL A 70 4.014 9.998 6.985 1.00 0.00 C ATOM 1133 O VAL A 70 3.048 9.478 6.427 1.00 0.00 O ATOM 1134 CB VAL A 70 6.197 9.117 6.135 1.00 0.00 C ATOM 1135 CG1 VAL A 70 6.511 8.587 7.528 1.00 0.00 C ATOM 1136 CG2 VAL A 70 5.566 8.031 5.278 1.00 0.00 C ATOM 0 H VAL A 70 6.642 11.278 7.493 1.00 0.00 H new ATOM 0 HA VAL A 70 4.992 10.630 5.187 1.00 0.00 H new ATOM 0 HB VAL A 70 7.137 9.423 5.676 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.165 7.718 7.448 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.009 9.363 8.109 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.585 8.299 8.025 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.229 7.167 5.239 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.610 7.735 5.711 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.405 8.411 4.269 1.00 0.00 H new ATOM 1146 N ASP A 71 4.031 10.289 8.278 1.00 0.00 N ATOM 1147 CA ASP A 71 2.888 10.007 9.138 1.00 0.00 C ATOM 1148 C ASP A 71 1.667 10.774 8.664 1.00 0.00 C ATOM 1149 O ASP A 71 0.641 10.188 8.320 1.00 0.00 O ATOM 1150 CB ASP A 71 3.207 10.363 10.591 1.00 0.00 C ATOM 1151 CG ASP A 71 2.676 9.333 11.569 1.00 0.00 C ATOM 1152 OD1 ASP A 71 1.488 9.427 11.944 1.00 0.00 O ATOM 1153 OD2 ASP A 71 3.449 8.433 11.960 1.00 0.00 O ATOM 0 H ASP A 71 4.823 10.720 8.755 1.00 0.00 H new ATOM 0 HA ASP A 71 2.673 8.940 9.083 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.287 10.452 10.712 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.779 11.337 10.826 1.00 0.00 H new ATOM 1158 N VAL A 72 1.798 12.086 8.632 1.00 0.00 N ATOM 1159 CA VAL A 72 0.717 12.948 8.179 1.00 0.00 C ATOM 1160 C VAL A 72 0.361 12.634 6.731 1.00 0.00 C ATOM 1161 O VAL A 72 -0.742 12.929 6.272 1.00 0.00 O ATOM 1162 CB VAL A 72 1.090 14.437 8.300 1.00 0.00 C ATOM 1163 CG1 VAL A 72 -0.114 15.315 7.996 1.00 0.00 C ATOM 1164 CG2 VAL A 72 1.643 14.738 9.685 1.00 0.00 C ATOM 0 H VAL A 72 2.643 12.582 8.914 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.143 12.755 8.820 1.00 0.00 H new ATOM 0 HB VAL A 72 1.867 14.659 7.568 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.168 16.364 8.086 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.461 15.119 6.981 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.914 15.093 8.702 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.901 15.795 9.752 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.891 14.500 10.437 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.534 14.135 9.860 1.00 0.00 H new ATOM 1174 N HIS A 73 1.305 12.021 6.022 1.00 0.00 N ATOM 1175 CA HIS A 73 1.096 11.649 4.631 1.00 0.00 C ATOM 1176 C HIS A 73 0.153 10.460 4.538 1.00 0.00 C ATOM 1177 O HIS A 73 -0.610 10.329 3.581 1.00 0.00 O ATOM 1178 CB HIS A 73 2.431 11.313 3.963 1.00 0.00 C ATOM 1179 CG HIS A 73 2.509 11.741 2.530 1.00 0.00 C ATOM 1180 ND1 HIS A 73 3.141 11.181 1.472 1.00 0.00 N flip ATOM 1181 CD2 HIS A 73 1.888 12.874 2.048 1.00 0.00 C flip ATOM 1182 CE1 HIS A 73 2.892 11.978 0.381 1.00 0.00 C flip ATOM 1183 NE2 HIS A 73 2.133 12.991 0.755 1.00 0.00 N flip ATOM 0 H HIS A 73 2.223 11.772 6.391 1.00 0.00 H new ATOM 0 HA HIS A 73 0.647 12.495 4.111 1.00 0.00 H new ATOM 0 HB2 HIS A 73 3.237 11.790 4.520 1.00 0.00 H new ATOM 0 HB3 HIS A 73 2.596 10.237 4.022 1.00 0.00 H new ATOM 0 HD2 HIS A 73 1.294 13.559 2.636 1.00 0.00 H new ATOM 0 HE1 HIS A 73 3.258 11.804 -0.620 1.00 0.00 H new ATOM 0 HE2 HIS A 73 1.793 13.738 0.149 1.00 0.00 H new ATOM 1192 N ILE A 74 0.206 9.600 5.547 1.00 0.00 N ATOM 1193 CA ILE A 74 -0.650 8.423 5.589 1.00 0.00 C ATOM 1194 C ILE A 74 -2.113 8.826 5.734 1.00 0.00 C ATOM 1195 O ILE A 74 -3.013 8.107 5.301 1.00 0.00 O ATOM 1196 CB ILE A 74 -0.260 7.478 6.745 1.00 0.00 C ATOM 1197 CG1 ILE A 74 1.194 7.028 6.595 1.00 0.00 C ATOM 1198 CG2 ILE A 74 -1.188 6.271 6.788 1.00 0.00 C ATOM 1199 CD1 ILE A 74 1.923 6.885 7.913 1.00 0.00 C ATOM 0 H ILE A 74 0.832 9.696 6.346 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.512 7.891 4.647 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.362 8.022 7.684 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.218 6.073 6.071 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.726 7.747 5.971 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.896 5.617 7.610 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.214 6.606 6.938 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.118 5.725 5.847 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.948 6.563 7.729 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.931 7.844 8.430 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.416 6.144 8.531 1.00 0.00 H new ATOM 1211 N ALA A 75 -2.341 9.985 6.341 1.00 0.00 N ATOM 1212 CA ALA A 75 -3.691 10.490 6.537 1.00 0.00 C ATOM 1213 C ALA A 75 -4.283 10.956 5.220 1.00 0.00 C ATOM 1214 O ALA A 75 -5.431 10.651 4.896 1.00 0.00 O ATOM 1215 CB ALA A 75 -3.698 11.616 7.559 1.00 0.00 C ATOM 0 H ALA A 75 -1.607 10.592 6.706 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.309 9.678 6.920 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.717 11.980 7.692 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.318 11.246 8.511 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.064 12.430 7.208 1.00 0.00 H new ATOM 1221 N SER A 76 -3.483 11.679 4.457 1.00 0.00 N ATOM 1222 CA SER A 76 -3.913 12.174 3.157 1.00 0.00 C ATOM 1223 C SER A 76 -4.205 11.007 2.230 1.00 0.00 C ATOM 1224 O SER A 76 -5.014 11.116 1.308 1.00 0.00 O ATOM 1225 CB SER A 76 -2.847 13.083 2.544 1.00 0.00 C ATOM 1226 OG SER A 76 -2.984 14.416 3.007 1.00 0.00 O ATOM 0 H SER A 76 -2.530 11.938 4.714 1.00 0.00 H new ATOM 0 HA SER A 76 -4.823 12.759 3.292 1.00 0.00 H new ATOM 0 HB2 SER A 76 -1.855 12.707 2.797 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.928 13.062 1.457 1.00 0.00 H new ATOM 0 HG SER A 76 -2.290 14.976 2.601 1.00 0.00 H new ATOM 1232 N LEU A 77 -3.557 9.880 2.499 1.00 0.00 N ATOM 1233 CA LEU A 77 -3.765 8.681 1.707 1.00 0.00 C ATOM 1234 C LEU A 77 -5.213 8.252 1.811 1.00 0.00 C ATOM 1235 O LEU A 77 -5.818 7.804 0.840 1.00 0.00 O ATOM 1236 CB LEU A 77 -2.853 7.554 2.190 1.00 0.00 C ATOM 1237 CG LEU A 77 -1.681 7.236 1.268 1.00 0.00 C ATOM 1238 CD1 LEU A 77 -0.474 8.071 1.651 1.00 0.00 C ATOM 1239 CD2 LEU A 77 -1.350 5.753 1.322 1.00 0.00 C ATOM 0 H LEU A 77 -2.885 9.774 3.259 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.523 8.899 0.667 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.462 7.819 3.172 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.451 6.652 2.317 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.962 7.484 0.244 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.357 7.836 0.986 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.721 9.129 1.563 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.190 7.849 2.680 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.511 5.543 0.658 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.083 5.477 2.342 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.218 5.175 1.004 1.00 0.00 H new ATOM 1251 N ARG A 78 -5.763 8.410 3.003 1.00 0.00 N ATOM 1252 CA ARG A 78 -7.149 8.052 3.254 1.00 0.00 C ATOM 1253 C ARG A 78 -8.072 8.731 2.248 1.00 0.00 C ATOM 1254 O ARG A 78 -9.175 8.254 1.980 1.00 0.00 O ATOM 1255 CB ARG A 78 -7.548 8.435 4.681 1.00 0.00 C ATOM 1256 CG ARG A 78 -8.998 8.118 5.015 1.00 0.00 C ATOM 1257 CD ARG A 78 -9.825 9.384 5.173 1.00 0.00 C ATOM 1258 NE ARG A 78 -11.248 9.092 5.325 1.00 0.00 N ATOM 1259 CZ ARG A 78 -12.153 9.990 5.707 1.00 0.00 C ATOM 1260 NH1 ARG A 78 -11.789 11.238 5.972 1.00 0.00 N ATOM 1261 NH2 ARG A 78 -13.427 9.640 5.822 1.00 0.00 N ATOM 0 H ARG A 78 -5.270 8.785 3.814 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.249 6.973 3.139 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.899 7.911 5.383 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -7.376 9.502 4.823 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.427 7.499 4.227 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.041 7.537 5.936 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.474 9.940 6.042 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.677 10.025 4.304 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.567 8.144 5.127 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.811 11.514 5.883 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -12.487 11.922 6.264 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.713 8.683 5.618 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -14.121 10.328 6.115 1.00 0.00 H new ATOM 1275 N LYS A 79 -7.611 9.846 1.690 1.00 0.00 N ATOM 1276 CA LYS A 79 -8.394 10.588 0.709 1.00 0.00 C ATOM 1277 C LYS A 79 -8.297 9.948 -0.668 1.00 0.00 C ATOM 1278 O LYS A 79 -9.305 9.572 -1.266 1.00 0.00 O ATOM 1279 CB LYS A 79 -7.930 12.044 0.645 1.00 0.00 C ATOM 1280 CG LYS A 79 -8.999 13.001 0.143 1.00 0.00 C ATOM 1281 CD LYS A 79 -8.651 14.446 0.464 1.00 0.00 C ATOM 1282 CE LYS A 79 -8.542 14.676 1.964 1.00 0.00 C ATOM 1283 NZ LYS A 79 -9.406 15.801 2.417 1.00 0.00 N ATOM 0 H LYS A 79 -6.700 10.255 1.900 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.437 10.562 1.025 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.610 12.359 1.638 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -7.059 12.111 -0.007 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.115 12.885 -0.935 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.957 12.747 0.596 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -7.707 14.708 -0.014 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -9.413 15.105 0.049 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -8.825 13.766 2.492 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -7.505 14.887 2.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -9.303 15.926 3.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -9.120 16.675 1.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -10.399 15.589 2.192 1.00 0.00 H new ATOM 1297 N LYS A 80 -7.078 9.833 -1.158 1.00 0.00 N ATOM 1298 CA LYS A 80 -6.827 9.242 -2.465 1.00 0.00 C ATOM 1299 C LYS A 80 -7.089 7.744 -2.441 1.00 0.00 C ATOM 1300 O LYS A 80 -7.859 7.216 -3.243 1.00 0.00 O ATOM 1301 CB LYS A 80 -5.386 9.516 -2.906 1.00 0.00 C ATOM 1302 CG LYS A 80 -4.910 10.925 -2.589 1.00 0.00 C ATOM 1303 CD LYS A 80 -3.685 11.300 -3.411 1.00 0.00 C ATOM 1304 CE LYS A 80 -3.989 12.429 -4.384 1.00 0.00 C ATOM 1305 NZ LYS A 80 -3.468 13.736 -3.899 1.00 0.00 N ATOM 0 H LYS A 80 -6.238 10.143 -0.669 1.00 0.00 H new ATOM 0 HA LYS A 80 -7.509 9.700 -3.181 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.724 8.800 -2.420 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.305 9.347 -3.980 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -5.713 11.634 -2.787 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.674 11.000 -1.528 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.877 11.601 -2.744 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.335 10.428 -3.963 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.548 12.200 -5.354 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.067 12.500 -4.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.696 14.479 -4.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.907 13.967 -2.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.436 13.677 -3.782 1.00 0.00 H new ATOM 1319 N LEU A 81 -6.439 7.074 -1.508 1.00 0.00 N ATOM 1320 CA LEU A 81 -6.581 5.631 -1.348 1.00 0.00 C ATOM 1321 C LEU A 81 -7.965 5.277 -0.808 1.00 0.00 C ATOM 1322 O LEU A 81 -8.793 4.711 -1.522 1.00 0.00 O ATOM 1323 CB LEU A 81 -5.489 5.096 -0.411 1.00 0.00 C ATOM 1324 CG LEU A 81 -5.692 3.670 0.116 1.00 0.00 C ATOM 1325 CD1 LEU A 81 -6.330 2.781 -0.942 1.00 0.00 C ATOM 1326 CD2 LEU A 81 -4.365 3.084 0.579 1.00 0.00 C ATOM 0 H LEU A 81 -5.800 7.507 -0.841 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.469 5.163 -2.326 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.536 5.135 -0.938 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.409 5.769 0.443 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.370 3.715 0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.462 1.776 -0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.300 3.190 -1.224 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.685 2.740 -1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.524 2.072 0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.667 3.058 -0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.953 3.702 1.376 1.00 0.00 H new ATOM 1338 N GLY A 82 -8.211 5.614 0.455 1.00 0.00 N ATOM 1339 CA GLY A 82 -9.497 5.323 1.061 1.00 0.00 C ATOM 1340 C GLY A 82 -9.373 4.521 2.343 1.00 0.00 C ATOM 1341 O GLY A 82 -8.476 4.764 3.151 1.00 0.00 O ATOM 0 H GLY A 82 -7.544 6.082 1.068 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.015 6.259 1.272 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.112 4.771 0.350 1.00 0.00 H new ATOM 1345 N ALA A 83 -10.279 3.566 2.530 1.00 0.00 N ATOM 1346 CA ALA A 83 -10.275 2.725 3.722 1.00 0.00 C ATOM 1347 C ALA A 83 -9.021 1.856 3.793 1.00 0.00 C ATOM 1348 O ALA A 83 -8.691 1.315 4.849 1.00 0.00 O ATOM 1349 CB ALA A 83 -11.522 1.855 3.754 1.00 0.00 C ATOM 0 H ALA A 83 -11.027 3.355 1.869 1.00 0.00 H new ATOM 0 HA ALA A 83 -10.273 3.381 4.593 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.508 1.232 4.648 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.408 2.490 3.768 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.545 1.219 2.869 1.00 0.00 H new ATOM 1355 N TYR A 84 -8.325 1.726 2.669 1.00 0.00 N ATOM 1356 CA TYR A 84 -7.109 0.924 2.613 1.00 0.00 C ATOM 1357 C TYR A 84 -5.923 1.691 3.192 1.00 0.00 C ATOM 1358 O TYR A 84 -4.903 1.099 3.541 1.00 0.00 O ATOM 1359 CB TYR A 84 -6.815 0.499 1.174 1.00 0.00 C ATOM 1360 CG TYR A 84 -7.060 -0.971 0.916 1.00 0.00 C ATOM 1361 CD1 TYR A 84 -8.340 -1.446 0.659 1.00 0.00 C ATOM 1362 CD2 TYR A 84 -6.012 -1.882 0.929 1.00 0.00 C ATOM 1363 CE1 TYR A 84 -8.569 -2.788 0.423 1.00 0.00 C ATOM 1364 CE2 TYR A 84 -6.233 -3.226 0.694 1.00 0.00 C ATOM 1365 CZ TYR A 84 -7.512 -3.674 0.442 1.00 0.00 C ATOM 1366 OH TYR A 84 -7.736 -5.011 0.207 1.00 0.00 O ATOM 0 H TYR A 84 -8.582 2.165 1.785 1.00 0.00 H new ATOM 0 HA TYR A 84 -7.265 0.030 3.217 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -7.434 1.087 0.496 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.776 0.733 0.940 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -9.170 -0.755 0.643 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -5.008 -1.535 1.126 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -9.570 -3.141 0.225 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -5.407 -3.922 0.708 1.00 0.00 H new ATOM 0 HH TYR A 84 -7.451 -5.532 0.986 1.00 0.00 H new ATOM 1376 N GLY A 85 -6.064 3.010 3.303 1.00 0.00 N ATOM 1377 CA GLY A 85 -4.998 3.821 3.858 1.00 0.00 C ATOM 1378 C GLY A 85 -5.020 3.799 5.368 1.00 0.00 C ATOM 1379 O GLY A 85 -3.976 3.727 6.015 1.00 0.00 O ATOM 0 H GLY A 85 -6.895 3.528 3.019 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.036 3.454 3.501 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.098 4.848 3.506 1.00 0.00 H new ATOM 1383 N SER A 86 -6.224 3.841 5.929 1.00 0.00 N ATOM 1384 CA SER A 86 -6.395 3.804 7.372 1.00 0.00 C ATOM 1385 C SER A 86 -5.970 2.445 7.921 1.00 0.00 C ATOM 1386 O SER A 86 -5.805 2.278 9.130 1.00 0.00 O ATOM 1387 CB SER A 86 -7.853 4.087 7.743 1.00 0.00 C ATOM 1388 OG SER A 86 -8.013 5.419 8.199 1.00 0.00 O ATOM 0 H SER A 86 -7.096 3.901 5.403 1.00 0.00 H new ATOM 0 HA SER A 86 -5.764 4.575 7.815 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.492 3.917 6.876 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.176 3.392 8.519 1.00 0.00 H new ATOM 0 HG SER A 86 -8.953 5.576 8.428 1.00 0.00 H new ATOM 1394 N ARG A 87 -5.787 1.473 7.022 1.00 0.00 N ATOM 1395 CA ARG A 87 -5.375 0.131 7.418 1.00 0.00 C ATOM 1396 C ARG A 87 -4.206 0.180 8.395 1.00 0.00 C ATOM 1397 O ARG A 87 -4.048 -0.708 9.231 1.00 0.00 O ATOM 1398 CB ARG A 87 -4.997 -0.686 6.190 1.00 0.00 C ATOM 1399 CG ARG A 87 -5.964 -1.820 5.914 1.00 0.00 C ATOM 1400 CD ARG A 87 -7.399 -1.326 5.792 1.00 0.00 C ATOM 1401 NE ARG A 87 -8.335 -2.177 6.525 1.00 0.00 N ATOM 1402 CZ ARG A 87 -8.975 -1.808 7.635 1.00 0.00 C ATOM 1403 NH1 ARG A 87 -8.782 -0.603 8.160 1.00 0.00 N ATOM 1404 NH2 ARG A 87 -9.811 -2.650 8.225 1.00 0.00 N ATOM 0 H ARG A 87 -5.918 1.594 6.018 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.217 -0.346 7.920 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -4.958 -0.029 5.321 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.996 -1.094 6.326 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.675 -2.327 4.993 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.900 -2.555 6.716 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.465 -0.306 6.170 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.684 -1.296 4.740 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.510 -3.115 6.163 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.139 0.051 7.714 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.277 -0.332 9.009 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.964 -3.578 7.830 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.302 -2.370 9.074 1.00 0.00 H new ATOM 1418 N ILE A 88 -3.392 1.228 8.286 1.00 0.00 N ATOM 1419 CA ILE A 88 -2.243 1.398 9.158 1.00 0.00 C ATOM 1420 C ILE A 88 -2.639 1.266 10.627 1.00 0.00 C ATOM 1421 O ILE A 88 -3.047 2.241 11.258 1.00 0.00 O ATOM 1422 CB ILE A 88 -1.583 2.772 8.938 1.00 0.00 C ATOM 1423 CG1 ILE A 88 -2.643 3.865 8.759 1.00 0.00 C ATOM 1424 CG2 ILE A 88 -0.643 2.731 7.741 1.00 0.00 C ATOM 1425 CD1 ILE A 88 -2.461 5.039 9.698 1.00 0.00 C ATOM 0 H ILE A 88 -3.512 1.972 7.598 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.532 0.611 8.908 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.997 3.012 9.825 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.614 4.224 7.730 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -3.631 3.432 8.918 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.187 3.711 7.603 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.137 1.990 7.916 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.205 2.463 6.846 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.245 5.775 9.517 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -2.520 4.692 10.730 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.487 5.496 9.524 1.00 0.00 H new ATOM 1437 N VAL A 89 -2.521 0.054 11.165 1.00 0.00 N ATOM 1438 CA VAL A 89 -2.874 -0.198 12.557 1.00 0.00 C ATOM 1439 C VAL A 89 -1.682 0.024 13.482 1.00 0.00 C ATOM 1440 O VAL A 89 -0.672 -0.673 13.388 1.00 0.00 O ATOM 1441 CB VAL A 89 -3.395 -1.634 12.752 1.00 0.00 C ATOM 1442 CG1 VAL A 89 -3.906 -1.832 14.169 1.00 0.00 C ATOM 1443 CG2 VAL A 89 -4.481 -1.953 11.736 1.00 0.00 C ATOM 0 H VAL A 89 -2.185 -0.765 10.659 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.663 0.509 12.812 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.566 -2.324 12.591 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.269 -2.853 14.285 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.096 -1.652 14.876 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.719 -1.133 14.363 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.836 -2.972 11.891 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.311 -1.257 11.860 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.076 -1.859 10.729 1.00 0.00 H new ATOM 1453 N THR A 90 -1.810 0.994 14.382 1.00 0.00 N ATOM 1454 CA THR A 90 -0.746 1.303 15.331 1.00 0.00 C ATOM 1455 C THR A 90 -0.931 0.510 16.621 1.00 0.00 C ATOM 1456 O THR A 90 -1.414 1.038 17.623 1.00 0.00 O ATOM 1457 CB THR A 90 -0.725 2.802 15.637 1.00 0.00 C ATOM 1458 OG1 THR A 90 -0.895 3.558 14.451 1.00 0.00 O ATOM 1459 CG2 THR A 90 0.559 3.261 16.294 1.00 0.00 C ATOM 0 H THR A 90 -2.640 1.580 14.474 1.00 0.00 H new ATOM 0 HA THR A 90 0.206 1.021 14.882 1.00 0.00 H new ATOM 0 HB THR A 90 -1.548 2.967 16.332 1.00 0.00 H new ATOM 0 HG1 THR A 90 -0.037 3.630 13.983 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.508 4.333 16.484 1.00 0.00 H new ATOM 0 HG22 THR A 90 0.694 2.732 17.237 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.401 3.049 15.635 1.00 0.00 H new ATOM 1467 N LEU A 91 -0.550 -0.762 16.585 1.00 0.00 N ATOM 1468 CA LEU A 91 -0.679 -1.633 17.748 1.00 0.00 C ATOM 1469 C LEU A 91 0.330 -1.260 18.830 1.00 0.00 C ATOM 1470 O LEU A 91 1.526 -1.140 18.563 1.00 0.00 O ATOM 1471 CB LEU A 91 -0.486 -3.095 17.337 1.00 0.00 C ATOM 1472 CG LEU A 91 -1.743 -3.790 16.805 1.00 0.00 C ATOM 1473 CD1 LEU A 91 -1.508 -4.321 15.399 1.00 0.00 C ATOM 1474 CD2 LEU A 91 -2.168 -4.916 17.737 1.00 0.00 C ATOM 0 H LEU A 91 -0.149 -1.213 15.763 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.681 -1.503 18.156 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.288 -3.142 16.571 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.118 -3.653 18.198 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.548 -3.056 16.764 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.413 -4.811 15.039 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.255 -3.494 14.735 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.688 -5.039 15.414 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.063 -5.397 17.342 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.365 -5.649 17.812 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.381 -4.509 18.725 1.00 0.00 H new ATOM 1486 N ARG A 92 -0.160 -1.082 20.053 1.00 0.00 N ATOM 1487 CA ARG A 92 0.698 -0.727 21.177 1.00 0.00 C ATOM 1488 C ARG A 92 1.435 -1.956 21.701 1.00 0.00 C ATOM 1489 O ARG A 92 0.939 -2.663 22.578 1.00 0.00 O ATOM 1490 CB ARG A 92 -0.129 -0.093 22.298 1.00 0.00 C ATOM 1491 CG ARG A 92 0.498 1.164 22.879 1.00 0.00 C ATOM 1492 CD ARG A 92 1.526 0.831 23.948 1.00 0.00 C ATOM 1493 NE ARG A 92 2.626 1.792 23.967 1.00 0.00 N ATOM 1494 CZ ARG A 92 3.449 1.956 25.001 1.00 0.00 C ATOM 1495 NH1 ARG A 92 3.302 1.226 26.099 1.00 0.00 N ATOM 1496 NH2 ARG A 92 4.424 2.853 24.935 1.00 0.00 N ATOM 0 H ARG A 92 -1.147 -1.178 20.290 1.00 0.00 H new ATOM 0 HA ARG A 92 1.435 -0.003 20.829 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -1.120 0.149 21.915 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -0.265 -0.823 23.096 1.00 0.00 H new ATOM 0 HG2 ARG A 92 0.973 1.737 22.082 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -0.281 1.796 23.306 1.00 0.00 H new ATOM 0 HD2 ARG A 92 1.042 0.815 24.924 1.00 0.00 H new ATOM 0 HD3 ARG A 92 1.921 -0.169 23.772 1.00 0.00 H new ATOM 0 HE ARG A 92 2.772 2.371 23.140 1.00 0.00 H new ATOM 0 HH11 ARG A 92 2.555 0.534 26.155 1.00 0.00 H new ATOM 0 HH12 ARG A 92 3.936 1.357 26.887 1.00 0.00 H new ATOM 0 HH21 ARG A 92 4.543 3.416 24.093 1.00 0.00 H new ATOM 0 HH22 ARG A 92 5.055 2.980 25.726 1.00 0.00 H new ATOM 1510 N GLY A 93 2.619 -2.205 21.154 1.00 0.00 N ATOM 1511 CA GLY A 93 3.405 -3.351 21.572 1.00 0.00 C ATOM 1512 C GLY A 93 3.889 -4.173 20.395 1.00 0.00 C ATOM 1513 O GLY A 93 4.926 -4.833 20.473 1.00 0.00 O ATOM 0 H GLY A 93 3.049 -1.633 20.427 1.00 0.00 H new ATOM 0 HA2 GLY A 93 4.263 -3.009 22.152 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.806 -3.980 22.230 1.00 0.00 H new ATOM 1517 N VAL A 94 3.138 -4.129 19.298 1.00 0.00 N ATOM 1518 CA VAL A 94 3.497 -4.871 18.094 1.00 0.00 C ATOM 1519 C VAL A 94 4.113 -3.943 17.055 1.00 0.00 C ATOM 1520 O VAL A 94 5.232 -4.165 16.594 1.00 0.00 O ATOM 1521 CB VAL A 94 2.277 -5.579 17.462 1.00 0.00 C ATOM 1522 CG1 VAL A 94 2.712 -6.845 16.737 1.00 0.00 C ATOM 1523 CG2 VAL A 94 1.218 -5.895 18.509 1.00 0.00 C ATOM 0 H VAL A 94 2.277 -3.587 19.218 1.00 0.00 H new ATOM 0 HA VAL A 94 4.220 -5.627 18.399 1.00 0.00 H new ATOM 0 HB VAL A 94 1.833 -4.899 16.736 1.00 0.00 H new ATOM 0 HG11 VAL A 94 1.840 -7.331 16.298 1.00 0.00 H new ATOM 0 HG12 VAL A 94 3.420 -6.588 15.949 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.188 -7.524 17.444 1.00 0.00 H new ATOM 0 HG21 VAL A 94 0.373 -6.393 18.033 1.00 0.00 H new ATOM 0 HG22 VAL A 94 1.643 -6.549 19.270 1.00 0.00 H new ATOM 0 HG23 VAL A 94 0.879 -4.970 18.974 1.00 0.00 H new ATOM 1533 N GLY A 95 3.371 -2.903 16.690 1.00 0.00 N ATOM 1534 CA GLY A 95 3.854 -1.954 15.706 1.00 0.00 C ATOM 1535 C GLY A 95 2.820 -1.651 14.641 1.00 0.00 C ATOM 1536 O GLY A 95 1.657 -2.036 14.767 1.00 0.00 O ATOM 0 H GLY A 95 2.442 -2.701 17.059 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.138 -1.028 16.207 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.753 -2.350 15.234 1.00 0.00 H new ATOM 1540 N TYR A 96 3.243 -0.962 13.588 1.00 0.00 N ATOM 1541 CA TYR A 96 2.346 -0.610 12.494 1.00 0.00 C ATOM 1542 C TYR A 96 1.956 -1.848 11.693 1.00 0.00 C ATOM 1543 O TYR A 96 2.711 -2.305 10.835 1.00 0.00 O ATOM 1544 CB TYR A 96 3.011 0.421 11.578 1.00 0.00 C ATOM 1545 CG TYR A 96 2.424 1.808 11.701 1.00 0.00 C ATOM 1546 CD1 TYR A 96 2.511 2.516 12.893 1.00 0.00 C ATOM 1547 CD2 TYR A 96 1.782 2.411 10.626 1.00 0.00 C ATOM 1548 CE1 TYR A 96 1.976 3.784 13.012 1.00 0.00 C ATOM 1549 CE2 TYR A 96 1.245 3.680 10.736 1.00 0.00 C ATOM 1550 CZ TYR A 96 1.344 4.361 11.931 1.00 0.00 C ATOM 1551 OH TYR A 96 0.810 5.624 12.044 1.00 0.00 O ATOM 0 H TYR A 96 4.202 -0.636 13.468 1.00 0.00 H new ATOM 0 HA TYR A 96 1.441 -0.177 12.919 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.076 0.465 11.807 1.00 0.00 H new ATOM 0 HB3 TYR A 96 2.921 0.088 10.544 1.00 0.00 H new ATOM 0 HD1 TYR A 96 3.006 2.067 13.742 1.00 0.00 H new ATOM 0 HD2 TYR A 96 1.701 1.879 9.689 1.00 0.00 H new ATOM 0 HE1 TYR A 96 2.052 4.320 13.946 1.00 0.00 H new ATOM 0 HE2 TYR A 96 0.751 4.136 9.891 1.00 0.00 H new ATOM 0 HH TYR A 96 0.402 5.884 11.192 1.00 0.00 H new ATOM 1561 N LEU A 97 0.775 -2.390 11.978 1.00 0.00 N ATOM 1562 CA LEU A 97 0.294 -3.577 11.280 1.00 0.00 C ATOM 1563 C LEU A 97 -0.887 -3.241 10.376 1.00 0.00 C ATOM 1564 O LEU A 97 -2.036 -3.255 10.810 1.00 0.00 O ATOM 1565 CB LEU A 97 -0.114 -4.659 12.283 1.00 0.00 C ATOM 1566 CG LEU A 97 -0.737 -5.914 11.662 1.00 0.00 C ATOM 1567 CD1 LEU A 97 0.275 -7.047 11.609 1.00 0.00 C ATOM 1568 CD2 LEU A 97 -1.974 -6.339 12.441 1.00 0.00 C ATOM 0 H LEU A 97 0.136 -2.027 12.685 1.00 0.00 H new ATOM 0 HA LEU A 97 1.109 -3.952 10.660 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.766 -4.953 12.855 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.825 -4.230 12.989 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.037 -5.676 10.642 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.188 -7.928 11.165 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.130 -6.743 11.005 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.610 -7.283 12.619 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.402 -7.232 11.985 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.698 -6.556 13.473 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.709 -5.534 12.424 1.00 0.00 H new ATOM 1580 N PHE A 98 -0.596 -2.950 9.116 1.00 0.00 N ATOM 1581 CA PHE A 98 -1.641 -2.621 8.152 1.00 0.00 C ATOM 1582 C PHE A 98 -2.475 -3.858 7.835 1.00 0.00 C ATOM 1583 O PHE A 98 -2.407 -4.406 6.736 1.00 0.00 O ATOM 1584 CB PHE A 98 -1.037 -2.043 6.865 1.00 0.00 C ATOM 1585 CG PHE A 98 0.208 -2.748 6.397 1.00 0.00 C ATOM 1586 CD1 PHE A 98 0.125 -3.841 5.549 1.00 0.00 C ATOM 1587 CD2 PHE A 98 1.461 -2.315 6.804 1.00 0.00 C ATOM 1588 CE1 PHE A 98 1.266 -4.489 5.117 1.00 0.00 C ATOM 1589 CE2 PHE A 98 2.606 -2.960 6.375 1.00 0.00 C ATOM 1590 CZ PHE A 98 2.508 -4.048 5.530 1.00 0.00 C ATOM 0 H PHE A 98 0.351 -2.934 8.737 1.00 0.00 H new ATOM 0 HA PHE A 98 -2.287 -1.863 8.595 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.785 -2.088 6.074 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.806 -0.990 7.026 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.843 -4.190 5.222 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.543 -1.464 7.464 1.00 0.00 H new ATOM 0 HE1 PHE A 98 1.187 -5.340 4.457 1.00 0.00 H new ATOM 0 HE2 PHE A 98 3.576 -2.614 6.700 1.00 0.00 H new ATOM 0 HZ PHE A 98 3.401 -4.553 5.193 1.00 0.00 H new ATOM 1600 N SER A 99 -3.258 -4.293 8.817 1.00 0.00 N ATOM 1601 CA SER A 99 -4.107 -5.470 8.660 1.00 0.00 C ATOM 1602 C SER A 99 -5.314 -5.165 7.781 1.00 0.00 C ATOM 1603 O SER A 99 -6.099 -4.265 8.077 1.00 0.00 O ATOM 1604 CB SER A 99 -4.573 -5.971 10.029 1.00 0.00 C ATOM 1605 OG SER A 99 -4.647 -4.908 10.963 1.00 0.00 O ATOM 0 H SER A 99 -3.323 -3.847 9.732 1.00 0.00 H new ATOM 0 HA SER A 99 -3.518 -6.247 8.173 1.00 0.00 H new ATOM 0 HB2 SER A 99 -5.550 -6.444 9.933 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.885 -6.733 10.394 1.00 0.00 H new ATOM 0 HG SER A 99 -5.566 -4.825 11.292 1.00 0.00 H new ATOM 1611 N ASP A 100 -5.458 -5.924 6.699 1.00 0.00 N ATOM 1612 CA ASP A 100 -6.573 -5.737 5.777 1.00 0.00 C ATOM 1613 C ASP A 100 -7.282 -7.056 5.498 1.00 0.00 C ATOM 1614 O ASP A 100 -8.327 -7.348 6.078 1.00 0.00 O ATOM 1615 CB ASP A 100 -6.080 -5.112 4.468 1.00 0.00 C ATOM 1616 CG ASP A 100 -7.213 -4.822 3.503 1.00 0.00 C ATOM 1617 OD1 ASP A 100 -7.606 -5.741 2.755 1.00 0.00 O ATOM 1618 OD2 ASP A 100 -7.707 -3.675 3.496 1.00 0.00 O ATOM 0 H ASP A 100 -4.817 -6.674 6.439 1.00 0.00 H new ATOM 0 HA ASP A 100 -7.289 -5.061 6.245 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -5.548 -4.186 4.688 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -5.366 -5.785 3.994 1.00 0.00 H new ATOM 1623 N ASP A 101 -6.704 -7.845 4.608 1.00 0.00 N ATOM 1624 CA ASP A 101 -7.267 -9.136 4.242 1.00 0.00 C ATOM 1625 C ASP A 101 -6.210 -10.028 3.600 1.00 0.00 C ATOM 1626 O ASP A 101 -5.938 -11.129 4.078 1.00 0.00 O ATOM 1627 CB ASP A 101 -8.447 -8.951 3.286 1.00 0.00 C ATOM 1628 CG ASP A 101 -9.574 -9.928 3.561 1.00 0.00 C ATOM 1629 OD1 ASP A 101 -10.216 -9.809 4.626 1.00 0.00 O ATOM 1630 OD2 ASP A 101 -9.815 -10.811 2.711 1.00 0.00 O ATOM 0 H ASP A 101 -5.838 -7.612 4.122 1.00 0.00 H new ATOM 0 HA ASP A 101 -7.621 -9.621 5.152 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -8.824 -7.932 3.372 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -8.103 -9.078 2.260 1.00 0.00 H new ATOM 1635 N GLY A 102 -5.619 -9.544 2.512 1.00 0.00 N ATOM 1636 CA GLY A 102 -4.599 -10.308 1.818 1.00 0.00 C ATOM 1637 C GLY A 102 -4.719 -10.200 0.310 1.00 0.00 C ATOM 1638 O GLY A 102 -5.023 -11.182 -0.367 1.00 0.00 O ATOM 0 H GLY A 102 -5.829 -8.635 2.098 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -3.614 -9.958 2.127 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.672 -11.355 2.111 1.00 0.00 H new ATOM 1642 N ASP A 103 -4.479 -9.002 -0.216 1.00 0.00 N ATOM 1643 CA ASP A 103 -4.561 -8.767 -1.654 1.00 0.00 C ATOM 1644 C ASP A 103 -3.568 -9.647 -2.407 1.00 0.00 C ATOM 1645 O ASP A 103 -2.946 -10.536 -1.826 1.00 0.00 O ATOM 1646 CB ASP A 103 -4.295 -7.293 -1.967 1.00 0.00 C ATOM 1647 CG ASP A 103 -5.244 -6.744 -3.015 1.00 0.00 C ATOM 1648 OD1 ASP A 103 -5.106 -7.122 -4.197 1.00 0.00 O ATOM 1649 OD2 ASP A 103 -6.125 -5.936 -2.653 1.00 0.00 O ATOM 0 H ASP A 103 -4.226 -8.180 0.332 1.00 0.00 H new ATOM 0 HA ASP A 103 -5.568 -9.025 -1.982 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -4.390 -6.707 -1.053 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -3.268 -7.178 -2.314 1.00 0.00 H new ATOM 1654 N LYS A 104 -3.426 -9.393 -3.704 1.00 0.00 N ATOM 1655 CA LYS A 104 -2.511 -10.161 -4.538 1.00 0.00 C ATOM 1656 C LYS A 104 -1.064 -9.950 -4.104 1.00 0.00 C ATOM 1657 O LYS A 104 -0.730 -8.938 -3.488 1.00 0.00 O ATOM 1658 CB LYS A 104 -2.681 -9.773 -6.009 1.00 0.00 C ATOM 1659 CG LYS A 104 -3.330 -10.859 -6.852 1.00 0.00 C ATOM 1660 CD LYS A 104 -2.652 -10.998 -8.206 1.00 0.00 C ATOM 1661 CE LYS A 104 -2.485 -12.457 -8.597 1.00 0.00 C ATOM 1662 NZ LYS A 104 -3.557 -12.910 -9.526 1.00 0.00 N ATOM 0 H LYS A 104 -3.934 -8.660 -4.200 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.752 -11.217 -4.418 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.285 -8.867 -6.070 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -1.704 -9.534 -6.429 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -3.282 -11.810 -6.321 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -4.385 -10.627 -6.995 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -3.241 -10.482 -8.964 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -1.676 -10.514 -8.177 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -1.513 -12.597 -9.069 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -2.496 -13.077 -7.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -3.407 -13.910 -9.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -4.484 -12.801 -9.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -3.530 -12.336 -10.393 1.00 0.00 H new ATOM 1676 N LYS A 105 -0.208 -10.912 -4.434 1.00 0.00 N ATOM 1677 CA LYS A 105 1.201 -10.838 -4.087 1.00 0.00 C ATOM 1678 C LYS A 105 2.053 -11.576 -5.115 1.00 0.00 C ATOM 1679 O LYS A 105 1.718 -12.686 -5.530 1.00 0.00 O ATOM 1680 CB LYS A 105 1.440 -11.418 -2.692 1.00 0.00 C ATOM 1681 CG LYS A 105 2.782 -11.029 -2.093 1.00 0.00 C ATOM 1682 CD LYS A 105 3.826 -12.113 -2.312 1.00 0.00 C ATOM 1683 CE LYS A 105 4.680 -12.325 -1.072 1.00 0.00 C ATOM 1684 NZ LYS A 105 5.406 -11.086 -0.678 1.00 0.00 N ATOM 0 H LYS A 105 -0.471 -11.755 -4.944 1.00 0.00 H new ATOM 0 HA LYS A 105 1.494 -9.788 -4.086 1.00 0.00 H new ATOM 0 HB2 LYS A 105 0.644 -11.083 -2.027 1.00 0.00 H new ATOM 0 HB3 LYS A 105 1.376 -12.505 -2.744 1.00 0.00 H new ATOM 0 HG2 LYS A 105 3.125 -10.096 -2.541 1.00 0.00 H new ATOM 0 HG3 LYS A 105 2.665 -10.845 -1.025 1.00 0.00 H new ATOM 0 HD2 LYS A 105 3.331 -13.047 -2.578 1.00 0.00 H new ATOM 0 HD3 LYS A 105 4.465 -11.840 -3.152 1.00 0.00 H new ATOM 0 HE2 LYS A 105 4.047 -12.652 -0.247 1.00 0.00 H new ATOM 0 HE3 LYS A 105 5.399 -13.123 -1.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 6.066 -11.302 0.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 5.938 -10.721 -1.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 4.723 -10.369 -0.361 1.00 0.00 H new ATOM 1698 N PHE A 106 3.154 -10.954 -5.523 1.00 0.00 N ATOM 1699 CA PHE A 106 4.050 -11.553 -6.503 1.00 0.00 C ATOM 1700 C PHE A 106 4.706 -12.814 -5.947 1.00 0.00 C ATOM 1701 O PHE A 106 5.751 -12.748 -5.298 1.00 0.00 O ATOM 1702 CB PHE A 106 5.121 -10.545 -6.927 1.00 0.00 C ATOM 1703 CG PHE A 106 5.169 -10.311 -8.410 1.00 0.00 C ATOM 1704 CD1 PHE A 106 5.592 -11.313 -9.269 1.00 0.00 C ATOM 1705 CD2 PHE A 106 4.792 -9.090 -8.945 1.00 0.00 C ATOM 1706 CE1 PHE A 106 5.636 -11.101 -10.634 1.00 0.00 C ATOM 1707 CE2 PHE A 106 4.834 -8.872 -10.309 1.00 0.00 C ATOM 1708 CZ PHE A 106 5.257 -9.879 -11.155 1.00 0.00 C ATOM 0 H PHE A 106 3.447 -10.035 -5.190 1.00 0.00 H new ATOM 0 HA PHE A 106 3.459 -11.833 -7.375 1.00 0.00 H new ATOM 0 HB2 PHE A 106 4.936 -9.596 -6.423 1.00 0.00 H new ATOM 0 HB3 PHE A 106 6.096 -10.899 -6.591 1.00 0.00 H new ATOM 0 HD1 PHE A 106 5.891 -12.270 -8.867 1.00 0.00 H new ATOM 0 HD2 PHE A 106 4.461 -8.299 -8.288 1.00 0.00 H new ATOM 0 HE1 PHE A 106 5.966 -11.890 -11.293 1.00 0.00 H new ATOM 0 HE2 PHE A 106 4.537 -7.916 -10.713 1.00 0.00 H new ATOM 0 HZ PHE A 106 5.291 -9.711 -12.221 1.00 0.00 H new ATOM 1718 N SER A 107 4.086 -13.961 -6.205 1.00 0.00 N ATOM 1719 CA SER A 107 4.609 -15.237 -5.732 1.00 0.00 C ATOM 1720 C SER A 107 5.934 -15.569 -6.409 1.00 0.00 C ATOM 1721 O SER A 107 6.108 -15.332 -7.605 1.00 0.00 O ATOM 1722 CB SER A 107 3.596 -16.354 -5.991 1.00 0.00 C ATOM 1723 OG SER A 107 3.580 -17.285 -4.923 1.00 0.00 O ATOM 0 H SER A 107 3.220 -14.033 -6.739 1.00 0.00 H new ATOM 0 HA SER A 107 4.783 -15.154 -4.659 1.00 0.00 H new ATOM 0 HB2 SER A 107 2.602 -15.925 -6.119 1.00 0.00 H new ATOM 0 HB3 SER A 107 3.844 -16.866 -6.921 1.00 0.00 H new ATOM 0 HG SER A 107 3.496 -18.193 -5.282 1.00 0.00 H new ATOM 1729 N GLN A 108 6.868 -16.117 -5.637 1.00 0.00 N ATOM 1730 CA GLN A 108 8.179 -16.479 -6.164 1.00 0.00 C ATOM 1731 C GLN A 108 8.065 -17.587 -7.209 1.00 0.00 C ATOM 1732 O GLN A 108 8.733 -17.547 -8.242 1.00 0.00 O ATOM 1733 CB GLN A 108 9.113 -16.919 -5.033 1.00 0.00 C ATOM 1734 CG GLN A 108 8.451 -17.817 -3.999 1.00 0.00 C ATOM 1735 CD GLN A 108 9.357 -18.942 -3.539 1.00 0.00 C ATOM 1736 OE1 GLN A 108 10.335 -18.716 -2.826 1.00 0.00 O ATOM 1737 NE2 GLN A 108 9.036 -20.165 -3.947 1.00 0.00 N ATOM 0 H GLN A 108 6.741 -16.320 -4.645 1.00 0.00 H new ATOM 0 HA GLN A 108 8.599 -15.595 -6.644 1.00 0.00 H new ATOM 0 HB2 GLN A 108 9.966 -17.445 -5.463 1.00 0.00 H new ATOM 0 HB3 GLN A 108 9.504 -16.033 -4.533 1.00 0.00 H new ATOM 0 HG2 GLN A 108 8.156 -17.217 -3.138 1.00 0.00 H new ATOM 0 HG3 GLN A 108 7.539 -18.239 -4.421 1.00 0.00 H new ATOM 0 HE21 GLN A 108 8.216 -20.307 -4.537 1.00 0.00 H new ATOM 0 HE22 GLN A 108 9.609 -20.962 -3.670 1.00 0.00 H new ATOM 1746 N GLN A 109 7.219 -18.574 -6.933 1.00 0.00 N ATOM 1747 CA GLN A 109 7.020 -19.687 -7.838 1.00 0.00 C ATOM 1748 C GLN A 109 6.195 -19.267 -9.050 1.00 0.00 C ATOM 1749 O GLN A 109 5.513 -18.243 -9.024 1.00 0.00 O ATOM 1750 CB GLN A 109 6.325 -20.831 -7.104 1.00 0.00 C ATOM 1751 CG GLN A 109 5.133 -20.391 -6.268 1.00 0.00 C ATOM 1752 CD GLN A 109 5.368 -20.563 -4.780 1.00 0.00 C ATOM 1753 OE1 GLN A 109 6.509 -20.614 -4.321 1.00 0.00 O ATOM 1754 NE2 GLN A 109 4.285 -20.654 -4.017 1.00 0.00 N ATOM 0 H GLN A 109 6.659 -18.620 -6.082 1.00 0.00 H new ATOM 0 HA GLN A 109 7.995 -20.022 -8.191 1.00 0.00 H new ATOM 0 HB2 GLN A 109 5.992 -21.569 -7.834 1.00 0.00 H new ATOM 0 HB3 GLN A 109 7.048 -21.327 -6.456 1.00 0.00 H new ATOM 0 HG2 GLN A 109 4.913 -19.344 -6.479 1.00 0.00 H new ATOM 0 HG3 GLN A 109 4.255 -20.967 -6.562 1.00 0.00 H new ATOM 0 HE21 GLN A 109 3.358 -20.607 -4.440 1.00 0.00 H new ATOM 0 HE22 GLN A 109 4.380 -20.771 -3.008 1.00 0.00 H new ATOM 1763 N ASP A 110 6.260 -20.066 -10.110 1.00 0.00 N ATOM 1764 CA ASP A 110 5.517 -19.779 -11.331 1.00 0.00 C ATOM 1765 C ASP A 110 4.378 -20.774 -11.523 1.00 0.00 C ATOM 1766 O ASP A 110 3.356 -20.457 -12.132 1.00 0.00 O ATOM 1767 CB ASP A 110 6.449 -19.811 -12.543 1.00 0.00 C ATOM 1768 CG ASP A 110 6.029 -18.832 -13.623 1.00 0.00 C ATOM 1769 OD1 ASP A 110 4.818 -18.547 -13.726 1.00 0.00 O ATOM 1770 OD2 ASP A 110 6.912 -18.351 -14.364 1.00 0.00 O ATOM 0 H ASP A 110 6.820 -20.918 -10.148 1.00 0.00 H new ATOM 0 HA ASP A 110 5.090 -18.780 -11.238 1.00 0.00 H new ATOM 0 HB2 ASP A 110 7.465 -19.580 -12.223 1.00 0.00 H new ATOM 0 HB3 ASP A 110 6.467 -20.819 -12.957 1.00 0.00 H new ATOM 1775 N THR A 111 4.566 -21.977 -10.999 1.00 0.00 N ATOM 1776 CA THR A 111 3.565 -23.024 -11.106 1.00 0.00 C ATOM 1777 C THR A 111 2.713 -23.095 -9.843 1.00 0.00 C ATOM 1778 O THR A 111 2.971 -23.907 -8.954 1.00 0.00 O ATOM 1779 CB THR A 111 4.234 -24.375 -11.362 1.00 0.00 C ATOM 1780 OG1 THR A 111 5.482 -24.203 -12.009 1.00 0.00 O ATOM 1781 CG2 THR A 111 3.398 -25.305 -12.216 1.00 0.00 C ATOM 0 H THR A 111 5.408 -22.251 -10.493 1.00 0.00 H new ATOM 0 HA THR A 111 2.914 -22.784 -11.947 1.00 0.00 H new ATOM 0 HB THR A 111 4.359 -24.826 -10.378 1.00 0.00 H new ATOM 0 HG1 THR A 111 5.894 -25.079 -12.162 1.00 0.00 H new ATOM 0 HG21 THR A 111 3.931 -26.245 -12.359 1.00 0.00 H new ATOM 0 HG22 THR A 111 2.447 -25.499 -11.719 1.00 0.00 H new ATOM 0 HG23 THR A 111 3.213 -24.842 -13.185 1.00 0.00 H new ATOM 1789 N LYS A 112 1.698 -22.241 -9.769 1.00 0.00 N ATOM 1790 CA LYS A 112 0.811 -22.209 -8.612 1.00 0.00 C ATOM 1791 C LYS A 112 0.122 -23.557 -8.418 1.00 0.00 C ATOM 1792 O LYS A 112 -0.611 -24.022 -9.290 1.00 0.00 O ATOM 1793 CB LYS A 112 -0.236 -21.105 -8.774 1.00 0.00 C ATOM 1794 CG LYS A 112 -0.551 -20.371 -7.481 1.00 0.00 C ATOM 1795 CD LYS A 112 0.575 -19.429 -7.088 1.00 0.00 C ATOM 1796 CE LYS A 112 0.593 -19.175 -5.589 1.00 0.00 C ATOM 1797 NZ LYS A 112 0.909 -20.411 -4.820 1.00 0.00 N ATOM 0 H LYS A 112 1.469 -21.563 -10.495 1.00 0.00 H new ATOM 0 HA LYS A 112 1.414 -21.999 -7.729 1.00 0.00 H new ATOM 0 HB2 LYS A 112 0.117 -20.386 -9.513 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -1.154 -21.541 -9.167 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -1.476 -19.806 -7.598 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -0.718 -21.094 -6.682 1.00 0.00 H new ATOM 0 HD2 LYS A 112 1.530 -19.853 -7.397 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.460 -18.483 -7.617 1.00 0.00 H new ATOM 0 HE2 LYS A 112 1.331 -18.406 -5.360 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -0.377 -18.790 -5.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 1.306 -20.152 -3.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 0.040 -20.965 -4.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 1.602 -20.980 -5.347 1.00 0.00 H new ATOM 1811 N LEU A 113 0.362 -24.176 -7.267 1.00 0.00 N ATOM 1812 CA LEU A 113 -0.232 -25.465 -6.954 1.00 0.00 C ATOM 1813 C LEU A 113 -0.436 -25.618 -5.451 1.00 0.00 C ATOM 1814 O LEU A 113 0.350 -25.109 -4.652 1.00 0.00 O ATOM 1815 CB LEU A 113 0.646 -26.601 -7.485 1.00 0.00 C ATOM 1816 CG LEU A 113 0.288 -27.096 -8.887 1.00 0.00 C ATOM 1817 CD1 LEU A 113 1.532 -27.584 -9.614 1.00 0.00 C ATOM 1818 CD2 LEU A 113 -0.755 -28.201 -8.811 1.00 0.00 C ATOM 0 H LEU A 113 0.966 -23.802 -6.535 1.00 0.00 H new ATOM 0 HA LEU A 113 -1.206 -25.516 -7.440 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.683 -26.266 -7.488 1.00 0.00 H new ATOM 0 HB3 LEU A 113 0.584 -27.441 -6.793 1.00 0.00 H new ATOM 0 HG LEU A 113 -0.134 -26.263 -9.450 1.00 0.00 H new ATOM 0 HD11 LEU A 113 1.258 -27.932 -10.610 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.248 -26.766 -9.700 1.00 0.00 H new ATOM 0 HD13 LEU A 113 1.983 -28.403 -9.054 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.998 -28.542 -9.817 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.360 -29.035 -8.231 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -1.655 -27.819 -8.330 1.00 0.00 H new ATOM 1830 N SER A 114 -1.496 -26.325 -5.071 1.00 0.00 N ATOM 1831 CA SER A 114 -1.802 -26.546 -3.666 1.00 0.00 C ATOM 1832 C SER A 114 -2.730 -27.744 -3.492 1.00 0.00 C ATOM 1833 O SER A 114 -3.544 -28.044 -4.366 1.00 0.00 O ATOM 1834 CB SER A 114 -2.440 -25.297 -3.056 1.00 0.00 C ATOM 1835 OG SER A 114 -2.517 -25.401 -1.645 1.00 0.00 O ATOM 0 H SER A 114 -2.157 -26.754 -5.719 1.00 0.00 H new ATOM 0 HA SER A 114 -0.867 -26.756 -3.147 1.00 0.00 H new ATOM 0 HB2 SER A 114 -1.857 -24.417 -3.328 1.00 0.00 H new ATOM 0 HB3 SER A 114 -3.439 -25.157 -3.469 1.00 0.00 H new ATOM 0 HG SER A 114 -2.927 -24.590 -1.279 1.00 0.00 H new ATOM 1841 N LEU A 115 -2.601 -28.425 -2.358 1.00 0.00 N ATOM 1842 CA LEU A 115 -3.418 -29.585 -2.062 1.00 0.00 C ATOM 1843 C LEU A 115 -4.900 -29.225 -2.056 1.00 0.00 C ATOM 1844 O LEU A 115 -5.687 -29.779 -2.823 1.00 0.00 O ATOM 1845 CB LEU A 115 -3.009 -30.158 -0.709 1.00 0.00 C ATOM 1846 CG LEU A 115 -1.521 -30.485 -0.567 1.00 0.00 C ATOM 1847 CD1 LEU A 115 -1.182 -30.810 0.879 1.00 0.00 C ATOM 1848 CD2 LEU A 115 -1.141 -31.641 -1.479 1.00 0.00 C ATOM 0 H LEU A 115 -1.931 -28.187 -1.627 1.00 0.00 H new ATOM 0 HA LEU A 115 -3.260 -30.333 -2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -3.285 -29.445 0.068 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -3.584 -31.066 -0.527 1.00 0.00 H new ATOM 0 HG LEU A 115 -0.945 -29.609 -0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -0.120 -31.040 0.961 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -1.417 -29.952 1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -1.766 -31.671 1.205 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -0.079 -31.860 -1.365 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -1.724 -32.522 -1.212 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -1.347 -31.370 -2.515 1.00 0.00 H new ATOM 1860 N GLU A 116 -5.274 -28.294 -1.184 1.00 0.00 N ATOM 1861 CA GLU A 116 -6.663 -27.860 -1.077 1.00 0.00 C ATOM 1862 C GLU A 116 -6.825 -26.428 -1.578 1.00 0.00 C ATOM 1863 O GLU A 116 -7.938 -25.878 -1.445 1.00 0.00 O ATOM 1864 CB GLU A 116 -7.141 -27.963 0.372 1.00 0.00 C ATOM 1865 CG GLU A 116 -7.756 -29.311 0.715 1.00 0.00 C ATOM 1866 CD GLU A 116 -7.077 -29.979 1.895 1.00 0.00 C ATOM 1867 OE1 GLU A 116 -5.886 -30.336 1.771 1.00 0.00 O ATOM 1868 OE2 GLU A 116 -7.736 -30.148 2.942 1.00 0.00 O ATOM 0 H GLU A 116 -4.635 -27.826 -0.541 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.272 -28.515 -1.700 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -6.298 -27.777 1.038 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -7.875 -27.179 0.560 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -8.815 -29.177 0.938 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -7.694 -29.966 -0.154 1.00 0.00 H new TER 1875 GLU A 116