USER MOD reduce.3.24.130724 H: found=0, std=0, add=1043, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1046 hydrogens (13 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 NoAdj-H: B 204 PTR HN2 : B 204 PTR N : B 203 GLU C :(H bumps) USER MOD NoAdj-H: B 204 PTR H : B 204 PTR N : B 203 GLU C :(H bumps) USER MOD Set 1.1: A 13 SER OG : rot 180:sc= -0.194! USER MOD Set 1.2: A 114 LYS NZ :NH3+ 175:sc= -3.15 (180deg=-3.22) USER MOD Set 2.1: A 88 TYR OH : rot 50:sc= -1.54 USER MOD Set 2.2: A 108 MET CE :methyl -127:sc= -13.4! (180deg=-19.6!) USER MOD Set 3.1: A 69 THR OG1 : rot 116:sc= 0.512 USER MOD Set 3.2: A 70 GLN :FLIP amide:sc= -3.49! F(o=-4.1,f=-3!) USER MOD Set 4.1: A 40 GLN :FLIP amide:sc= -0.611 F(o=-19,f=-17) USER MOD Set 4.2: A 107 GLN : amide:sc= -16.7! C(o=-17!,f=-27!) USER MOD Set 5.1: A 26 LYS NZ :NH3+ -136:sc= -0.982! (180deg=-1.1) USER MOD Set 5.2: A 51 SER OG : rot 130:sc= 0.799 USER MOD Set 6.1: A 24 THR OG1 : rot 145:sc= 1.17 USER MOD Set 6.2: A 34 ASN :FLIP amide:sc= -2.09! C(o=-4.7!,f=-0.92!) USER MOD Set 7.1: A 23 CYS SG : rot 59:sc= -0.476 USER MOD Set 7.2: A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 8.1: A 2 ASN :FLIP amide:sc= -3.52! C(o=-5.4!,f=-2.7!) USER MOD Set 8.2: A 62 HIS : no HE2:sc= 0.779 K(o=-2.7,f=-14!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -118:sc= 0.0236 (180deg=-0.366) USER MOD Single : A 4 SER OG : rot 111:sc= 0.918 USER MOD Single : A 6 SER OG : rot 140:sc= -1.77 USER MOD Single : A 9 HIS : no HE2:sc= -11.2! C(o=-11!,f=-14!) USER MOD Single : A 11 GLN : amide:sc= -9.72! C(o=-9.7!,f=-15!) USER MOD Single : A 17 GLN : amide:sc= -0.186 X(o=-0.19,f=-0.028) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 100:sc= -1.86 USER MOD Single : A 30 ASN :FLIP amide:sc= -6.15! C(o=-7.6!,f=-6.2!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -20:sc= 0.511! USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.79 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -153:sc= -0.0127 (180deg=-0.734) USER MOD Single : A 57 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.086) USER MOD Single : A 58 THR OG1 : rot 56:sc= 1.28 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -1.43 X(o=-1.4,f=-1.6) USER MOD Single : A 73 THR OG1 : rot 82:sc= 1.26 USER MOD Single : A 75 LYS NZ :NH3+ -141:sc= -0.787 (180deg=-1.78!) USER MOD Single : A 78 GLN : amide:sc= -0.224 K(o=-0.22,f=-2!) USER MOD Single : A 79 SER OG : rot -147:sc= -1.42 USER MOD Single : A 80 THR OG1 : rot 87:sc= 1.27 USER MOD Single : A 82 LYS NZ :NH3+ 148:sc= -0.143 (180deg=-0.77) USER MOD Single : A 83 HIS : no HD1:sc= -0.0784 X(o=-0.078,f=0) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 87 ASN :FLIP amide:sc= -6.89! C(o=-7.9!,f=-6.9!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0.404 K(o=0.4,f=-0.69) USER MOD Single : A 97 ASN :FLIP amide:sc= -4.91! C(o=-6.2!,f=-4.9!) USER MOD Single : A 98 SER OG : rot 89:sc= -2.36! USER MOD Single : A 102 SER OG : rot -74:sc= -10.9! USER MOD Single : A 105 SER OG : rot 96:sc= 0.361 USER MOD Single : A 109 THR OG1 : rot 126:sc= 1.09 USER MOD Single : A 111 GLN :FLIP amide:sc= -1.07 F(o=-4.7!,f=-1.1) USER MOD Single : A 123 GLN : amide:sc= -2.99! C(o=-3!,f=-6!) USER MOD Single : A 125 SER OG : rot 60:sc= -2.22 USER MOD Single : A 130 SER OG : rot -59:sc= 1.05 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.542 8.869 -12.309 1.00 0.00 N ATOM 2 CA MET A 1 -5.110 8.577 -12.037 1.00 0.00 C ATOM 3 C MET A 1 -4.745 8.907 -10.594 1.00 0.00 C ATOM 4 O MET A 1 -5.459 9.644 -9.916 1.00 0.00 O ATOM 5 CB MET A 1 -4.253 9.402 -12.999 1.00 0.00 C ATOM 6 CG MET A 1 -4.359 8.952 -14.447 1.00 0.00 C ATOM 7 SD MET A 1 -3.813 10.217 -15.610 1.00 0.00 S ATOM 8 CE MET A 1 -2.054 9.883 -15.679 1.00 0.00 C ATOM 0 H1 MET A 1 -7.032 7.990 -12.570 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.982 9.271 -11.457 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.615 9.551 -13.091 1.00 0.00 H new ATOM 0 HA MET A 1 -4.927 7.513 -12.188 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.549 10.449 -12.930 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.211 9.344 -12.685 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.761 8.052 -14.588 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.393 8.685 -14.666 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.576 10.587 -16.361 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.624 9.993 -14.684 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.890 8.866 -16.035 1.00 0.00 H new ATOM 20 N ASN A 2 -3.628 8.356 -10.131 1.00 0.00 N ATOM 21 CA ASN A 2 -3.170 8.595 -8.769 1.00 0.00 C ATOM 22 C ASN A 2 -2.113 9.693 -8.736 1.00 0.00 C ATOM 23 O ASN A 2 -1.918 10.415 -9.713 1.00 0.00 O ATOM 24 CB ASN A 2 -2.615 7.301 -8.153 1.00 0.00 C ATOM 25 CG ASN A 2 -1.125 7.115 -8.388 1.00 0.00 C ATOM 26 OD1 ASN A 2 -0.384 6.885 -7.309 1.00 0.00 O flip ATOM 27 ND2 ASN A 2 -0.649 7.175 -9.522 1.00 0.00 N flip ATOM 0 H ASN A 2 -3.025 7.742 -10.678 1.00 0.00 H new ATOM 0 HA ASN A 2 -4.024 8.925 -8.178 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -2.809 7.305 -7.080 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.151 6.449 -8.571 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -1.257 7.354 -10.321 1.00 0.00 H new ATOM 0 HD22 ASN A 2 0.353 7.046 -9.662 1.00 0.00 H new ATOM 34 N LEU A 3 -1.423 9.796 -7.607 1.00 0.00 N ATOM 35 CA LEU A 3 -0.369 10.789 -7.443 1.00 0.00 C ATOM 36 C LEU A 3 1.002 10.115 -7.476 1.00 0.00 C ATOM 37 O LEU A 3 1.101 8.910 -7.701 1.00 0.00 O ATOM 38 CB LEU A 3 -0.553 11.575 -6.135 1.00 0.00 C ATOM 39 CG LEU A 3 -1.214 10.820 -4.978 1.00 0.00 C ATOM 40 CD1 LEU A 3 -0.514 9.498 -4.718 1.00 0.00 C ATOM 41 CD2 LEU A 3 -1.203 11.676 -3.718 1.00 0.00 C ATOM 0 H LEU A 3 -1.575 9.203 -6.791 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.432 11.495 -8.271 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.426 11.921 -5.803 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.149 12.462 -6.350 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.246 10.609 -5.257 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -1.004 8.983 -3.892 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.564 8.878 -5.613 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.529 9.683 -4.463 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.676 11.129 -2.902 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.174 11.913 -3.448 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.752 12.600 -3.901 1.00 0.00 H new ATOM 53 N SER A 4 2.058 10.891 -7.256 1.00 0.00 N ATOM 54 CA SER A 4 3.414 10.352 -7.266 1.00 0.00 C ATOM 55 C SER A 4 3.581 9.266 -6.209 1.00 0.00 C ATOM 56 O SER A 4 2.629 8.907 -5.515 1.00 0.00 O ATOM 57 CB SER A 4 4.431 11.467 -7.026 1.00 0.00 C ATOM 58 OG SER A 4 3.947 12.710 -7.501 1.00 0.00 O ATOM 0 H SER A 4 2.002 11.892 -7.069 1.00 0.00 H new ATOM 0 HA SER A 4 3.590 9.910 -8.246 1.00 0.00 H new ATOM 0 HB2 SER A 4 4.649 11.541 -5.961 1.00 0.00 H new ATOM 0 HB3 SER A 4 5.368 11.223 -7.527 1.00 0.00 H new ATOM 0 HG SER A 4 3.764 13.302 -6.741 1.00 0.00 H new ATOM 64 N LEU A 5 4.801 8.752 -6.091 1.00 0.00 N ATOM 65 CA LEU A 5 5.102 7.710 -5.115 1.00 0.00 C ATOM 66 C LEU A 5 5.558 8.309 -3.793 1.00 0.00 C ATOM 67 O LEU A 5 4.911 8.124 -2.769 1.00 0.00 O ATOM 68 CB LEU A 5 6.174 6.759 -5.643 1.00 0.00 C ATOM 69 CG LEU A 5 6.171 5.354 -5.023 1.00 0.00 C ATOM 70 CD1 LEU A 5 5.169 5.233 -3.888 1.00 0.00 C ATOM 71 CD2 LEU A 5 5.887 4.300 -6.075 1.00 0.00 C ATOM 0 H LEU A 5 5.598 9.040 -6.659 1.00 0.00 H new ATOM 0 HA LEU A 5 4.183 7.149 -4.947 1.00 0.00 H new ATOM 0 HB2 LEU A 5 6.050 6.662 -6.722 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.152 7.210 -5.474 1.00 0.00 H new ATOM 0 HG LEU A 5 7.166 5.189 -4.610 1.00 0.00 H new ATOM 0 HD11 LEU A 5 5.202 4.223 -3.480 1.00 0.00 H new ATOM 0 HD12 LEU A 5 5.418 5.949 -3.105 1.00 0.00 H new ATOM 0 HD13 LEU A 5 4.167 5.440 -4.264 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.890 3.313 -5.612 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.911 4.487 -6.523 1.00 0.00 H new ATOM 0 HD23 LEU A 5 6.655 4.341 -6.847 1.00 0.00 H new ATOM 83 N SER A 6 6.680 9.018 -3.818 1.00 0.00 N ATOM 84 CA SER A 6 7.224 9.631 -2.610 1.00 0.00 C ATOM 85 C SER A 6 6.136 10.313 -1.781 1.00 0.00 C ATOM 86 O SER A 6 6.155 10.245 -0.553 1.00 0.00 O ATOM 87 CB SER A 6 8.314 10.639 -2.973 1.00 0.00 C ATOM 88 OG SER A 6 7.771 11.749 -3.665 1.00 0.00 O ATOM 0 H SER A 6 7.231 9.183 -4.660 1.00 0.00 H new ATOM 0 HA SER A 6 7.655 8.835 -2.003 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.814 10.981 -2.067 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.070 10.155 -3.591 1.00 0.00 H new ATOM 0 HG SER A 6 8.203 12.572 -3.354 1.00 0.00 H new ATOM 94 N ASP A 7 5.183 10.957 -2.452 1.00 0.00 N ATOM 95 CA ASP A 7 4.094 11.634 -1.753 1.00 0.00 C ATOM 96 C ASP A 7 3.104 10.613 -1.212 1.00 0.00 C ATOM 97 O ASP A 7 2.711 10.670 -0.047 1.00 0.00 O ATOM 98 CB ASP A 7 3.371 12.625 -2.674 1.00 0.00 C ATOM 99 CG ASP A 7 4.291 13.266 -3.696 1.00 0.00 C ATOM 100 OD1 ASP A 7 5.434 13.613 -3.332 1.00 0.00 O ATOM 101 OD2 ASP A 7 3.866 13.424 -4.861 1.00 0.00 O ATOM 0 H ASP A 7 5.143 11.024 -3.469 1.00 0.00 H new ATOM 0 HA ASP A 7 4.525 12.194 -0.923 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.565 12.107 -3.194 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.910 13.405 -2.068 1.00 0.00 H new ATOM 106 N LEU A 8 2.717 9.671 -2.065 1.00 0.00 N ATOM 107 CA LEU A 8 1.784 8.623 -1.673 1.00 0.00 C ATOM 108 C LEU A 8 2.364 7.808 -0.527 1.00 0.00 C ATOM 109 O LEU A 8 1.705 7.581 0.486 1.00 0.00 O ATOM 110 CB LEU A 8 1.488 7.712 -2.858 1.00 0.00 C ATOM 111 CG LEU A 8 0.336 6.730 -2.650 1.00 0.00 C ATOM 112 CD1 LEU A 8 -0.985 7.465 -2.498 1.00 0.00 C ATOM 113 CD2 LEU A 8 0.275 5.747 -3.805 1.00 0.00 C ATOM 0 H LEU A 8 3.035 9.612 -3.032 1.00 0.00 H new ATOM 0 HA LEU A 8 0.855 9.088 -1.344 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.264 8.332 -3.726 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.389 7.146 -3.095 1.00 0.00 H new ATOM 0 HG LEU A 8 0.516 6.176 -1.728 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.788 6.743 -2.351 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.934 8.131 -1.637 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.182 8.049 -3.397 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.549 5.051 -3.648 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.118 6.290 -4.737 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.212 5.193 -3.861 1.00 0.00 H new ATOM 125 N HIS A 9 3.613 7.388 -0.690 1.00 0.00 N ATOM 126 CA HIS A 9 4.301 6.625 0.336 1.00 0.00 C ATOM 127 C HIS A 9 4.418 7.467 1.587 1.00 0.00 C ATOM 128 O HIS A 9 4.243 6.985 2.702 1.00 0.00 O ATOM 129 CB HIS A 9 5.700 6.231 -0.129 1.00 0.00 C ATOM 130 CG HIS A 9 6.454 5.429 0.888 1.00 0.00 C ATOM 131 ND1 HIS A 9 7.594 5.888 1.514 1.00 0.00 N ATOM 132 CD2 HIS A 9 6.211 4.201 1.406 1.00 0.00 C ATOM 133 CE1 HIS A 9 8.020 4.979 2.373 1.00 0.00 C ATOM 134 NE2 HIS A 9 7.198 3.947 2.327 1.00 0.00 N ATOM 0 H HIS A 9 4.169 7.565 -1.527 1.00 0.00 H new ATOM 0 HA HIS A 9 3.729 5.719 0.538 1.00 0.00 H new ATOM 0 HB2 HIS A 9 5.621 5.655 -1.051 1.00 0.00 H new ATOM 0 HB3 HIS A 9 6.266 7.133 -0.364 1.00 0.00 H new ATOM 0 HD1 HIS A 9 8.039 6.789 1.341 1.00 0.00 H new ATOM 0 HD2 HIS A 9 5.394 3.545 1.144 1.00 0.00 H new ATOM 0 HE1 HIS A 9 8.892 5.065 3.005 1.00 0.00 H new ATOM 143 N ARG A 10 4.713 8.740 1.377 1.00 0.00 N ATOM 144 CA ARG A 10 4.856 9.680 2.480 1.00 0.00 C ATOM 145 C ARG A 10 3.558 9.772 3.268 1.00 0.00 C ATOM 146 O ARG A 10 3.539 9.563 4.482 1.00 0.00 O ATOM 147 CB ARG A 10 5.257 11.066 1.967 1.00 0.00 C ATOM 148 CG ARG A 10 6.746 11.354 2.094 1.00 0.00 C ATOM 149 CD ARG A 10 7.017 12.844 2.241 1.00 0.00 C ATOM 150 NE ARG A 10 6.626 13.345 3.557 1.00 0.00 N ATOM 151 CZ ARG A 10 6.893 14.574 3.992 1.00 0.00 C ATOM 152 NH1 ARG A 10 7.556 15.430 3.223 1.00 0.00 N ATOM 153 NH2 ARG A 10 6.498 14.949 5.201 1.00 0.00 N ATOM 0 H ARG A 10 4.858 9.147 0.453 1.00 0.00 H new ATOM 0 HA ARG A 10 5.645 9.314 3.137 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.966 11.155 0.920 1.00 0.00 H new ATOM 0 HB3 ARG A 10 4.700 11.824 2.518 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.148 10.824 2.957 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.267 10.974 1.215 1.00 0.00 H new ATOM 0 HD2 ARG A 10 8.078 13.037 2.080 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.473 13.389 1.469 1.00 0.00 H new ATOM 0 HE ARG A 10 6.119 12.716 4.179 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.864 15.147 2.293 1.00 0.00 H new ATOM 0 HH12 ARG A 10 7.757 16.370 3.563 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.990 14.296 5.797 1.00 0.00 H new ATOM 0 HH22 ARG A 10 6.702 15.891 5.535 1.00 0.00 H new ATOM 167 N GLN A 11 2.469 10.081 2.571 1.00 0.00 N ATOM 168 CA GLN A 11 1.173 10.193 3.218 1.00 0.00 C ATOM 169 C GLN A 11 0.778 8.866 3.867 1.00 0.00 C ATOM 170 O GLN A 11 0.506 8.811 5.071 1.00 0.00 O ATOM 171 CB GLN A 11 0.099 10.671 2.226 1.00 0.00 C ATOM 172 CG GLN A 11 -0.113 9.756 1.025 1.00 0.00 C ATOM 173 CD GLN A 11 -0.840 10.437 -0.113 1.00 0.00 C ATOM 174 OE1 GLN A 11 -1.844 9.931 -0.614 1.00 0.00 O ATOM 175 NE2 GLN A 11 -0.333 11.585 -0.534 1.00 0.00 N ATOM 0 H GLN A 11 2.461 10.256 1.566 1.00 0.00 H new ATOM 0 HA GLN A 11 1.249 10.943 4.005 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.847 10.774 2.758 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.372 11.663 1.866 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.854 9.400 0.670 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.680 8.879 1.338 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.501 11.968 -0.089 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -0.777 12.087 -1.303 1.00 0.00 H new ATOM 184 N VAL A 12 0.763 7.794 3.074 1.00 0.00 N ATOM 185 CA VAL A 12 0.406 6.475 3.587 1.00 0.00 C ATOM 186 C VAL A 12 1.304 6.070 4.754 1.00 0.00 C ATOM 187 O VAL A 12 0.819 5.690 5.824 1.00 0.00 O ATOM 188 CB VAL A 12 0.461 5.391 2.483 1.00 0.00 C ATOM 189 CG1 VAL A 12 1.874 5.203 1.953 1.00 0.00 C ATOM 190 CG2 VAL A 12 -0.096 4.075 3.005 1.00 0.00 C ATOM 0 H VAL A 12 0.993 7.814 2.080 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.622 6.548 3.943 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.158 5.730 1.652 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.873 4.435 1.180 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.232 6.142 1.531 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.531 4.898 2.768 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.051 3.323 2.217 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.495 3.743 3.859 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.132 4.215 3.314 1.00 0.00 H new ATOM 200 N SER A 13 2.614 6.159 4.546 1.00 0.00 N ATOM 201 CA SER A 13 3.580 5.797 5.573 1.00 0.00 C ATOM 202 C SER A 13 3.501 6.719 6.781 1.00 0.00 C ATOM 203 O SER A 13 3.903 6.341 7.884 1.00 0.00 O ATOM 204 CB SER A 13 5.000 5.826 5.002 1.00 0.00 C ATOM 205 OG SER A 13 5.958 5.512 5.998 1.00 0.00 O ATOM 0 H SER A 13 3.030 6.480 3.672 1.00 0.00 H new ATOM 0 HA SER A 13 3.335 4.787 5.902 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.079 5.114 4.180 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.209 6.813 4.590 1.00 0.00 H new ATOM 0 HG SER A 13 6.856 5.536 5.607 1.00 0.00 H new ATOM 211 N ARG A 14 2.995 7.928 6.579 1.00 0.00 N ATOM 212 CA ARG A 14 2.900 8.882 7.666 1.00 0.00 C ATOM 213 C ARG A 14 1.730 8.568 8.578 1.00 0.00 C ATOM 214 O ARG A 14 1.853 8.663 9.798 1.00 0.00 O ATOM 215 CB ARG A 14 2.787 10.308 7.127 1.00 0.00 C ATOM 216 CG ARG A 14 2.592 11.360 8.212 1.00 0.00 C ATOM 217 CD ARG A 14 3.721 12.379 8.216 1.00 0.00 C ATOM 218 NE ARG A 14 3.552 13.381 9.266 1.00 0.00 N ATOM 219 CZ ARG A 14 2.636 14.347 9.230 1.00 0.00 C ATOM 220 NH1 ARG A 14 1.809 14.450 8.196 1.00 0.00 N ATOM 221 NH2 ARG A 14 2.548 15.214 10.229 1.00 0.00 N ATOM 0 H ARG A 14 2.648 8.265 5.681 1.00 0.00 H new ATOM 0 HA ARG A 14 3.815 8.803 8.254 1.00 0.00 H new ATOM 0 HB2 ARG A 14 3.688 10.545 6.561 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.950 10.358 6.430 1.00 0.00 H new ATOM 0 HG2 ARG A 14 1.641 11.870 8.057 1.00 0.00 H new ATOM 0 HG3 ARG A 14 2.538 10.873 9.186 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.672 11.865 8.355 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.765 12.874 7.246 1.00 0.00 H new ATOM 0 HE ARG A 14 4.172 13.338 10.074 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.873 13.787 7.424 1.00 0.00 H new ATOM 0 HH12 ARG A 14 1.110 15.192 8.174 1.00 0.00 H new ATOM 0 HH21 ARG A 14 3.182 15.141 11.025 1.00 0.00 H new ATOM 0 HH22 ARG A 14 1.847 15.954 10.202 1.00 0.00 H new ATOM 235 N LEU A 15 0.597 8.182 8.005 1.00 0.00 N ATOM 236 CA LEU A 15 -0.548 7.856 8.835 1.00 0.00 C ATOM 237 C LEU A 15 -0.293 6.537 9.543 1.00 0.00 C ATOM 238 O LEU A 15 -0.503 6.410 10.746 1.00 0.00 O ATOM 239 CB LEU A 15 -1.847 7.762 8.035 1.00 0.00 C ATOM 240 CG LEU A 15 -1.875 8.505 6.710 1.00 0.00 C ATOM 241 CD1 LEU A 15 -1.855 7.514 5.566 1.00 0.00 C ATOM 242 CD2 LEU A 15 -3.103 9.400 6.622 1.00 0.00 C ATOM 0 H LEU A 15 0.450 8.090 7.000 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.671 8.664 9.556 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.055 6.710 7.842 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.660 8.139 8.656 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.991 9.139 6.643 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.875 8.052 4.618 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.948 6.912 5.622 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.727 6.864 5.633 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.104 9.923 5.666 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.003 8.791 6.704 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.082 10.127 7.433 1.00 0.00 H new ATOM 254 N VAL A 16 0.173 5.557 8.778 1.00 0.00 N ATOM 255 CA VAL A 16 0.470 4.240 9.320 1.00 0.00 C ATOM 256 C VAL A 16 1.492 4.317 10.449 1.00 0.00 C ATOM 257 O VAL A 16 1.256 3.825 11.551 1.00 0.00 O ATOM 258 CB VAL A 16 1.039 3.311 8.237 1.00 0.00 C ATOM 259 CG1 VAL A 16 1.246 1.906 8.784 1.00 0.00 C ATOM 260 CG2 VAL A 16 0.148 3.283 7.008 1.00 0.00 C ATOM 0 H VAL A 16 0.353 5.652 7.778 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.472 3.845 9.700 1.00 0.00 H new ATOM 0 HB VAL A 16 2.008 3.709 7.936 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.649 1.266 7.999 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.945 1.940 9.620 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.292 1.504 9.125 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.579 2.616 6.261 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.843 2.924 7.285 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.067 4.288 6.594 1.00 0.00 H new ATOM 270 N GLN A 17 2.645 4.908 10.151 1.00 0.00 N ATOM 271 CA GLN A 17 3.725 5.015 11.123 1.00 0.00 C ATOM 272 C GLN A 17 3.413 5.998 12.254 1.00 0.00 C ATOM 273 O GLN A 17 4.179 6.097 13.213 1.00 0.00 O ATOM 274 CB GLN A 17 5.016 5.416 10.412 1.00 0.00 C ATOM 275 CG GLN A 17 5.386 4.478 9.271 1.00 0.00 C ATOM 276 CD GLN A 17 6.585 3.607 9.596 1.00 0.00 C ATOM 277 OE1 GLN A 17 6.522 2.382 9.495 1.00 0.00 O ATOM 278 NE2 GLN A 17 7.685 4.238 9.989 1.00 0.00 N ATOM 0 H GLN A 17 2.855 5.321 9.242 1.00 0.00 H new ATOM 0 HA GLN A 17 3.843 4.036 11.587 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.910 6.428 10.022 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.831 5.437 11.136 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.532 3.842 9.037 1.00 0.00 H new ATOM 0 HG3 GLN A 17 5.600 5.065 8.378 1.00 0.00 H new ATOM 0 HE21 GLN A 17 7.692 5.256 10.058 1.00 0.00 H new ATOM 0 HE22 GLN A 17 8.523 3.705 10.221 1.00 0.00 H new ATOM 287 N GLN A 18 2.298 6.719 12.159 1.00 0.00 N ATOM 288 CA GLN A 18 1.936 7.671 13.208 1.00 0.00 C ATOM 289 C GLN A 18 0.535 8.240 13.001 1.00 0.00 C ATOM 290 O GLN A 18 0.369 9.441 12.787 1.00 0.00 O ATOM 291 CB GLN A 18 2.961 8.808 13.272 1.00 0.00 C ATOM 292 CG GLN A 18 3.415 9.301 11.908 1.00 0.00 C ATOM 293 CD GLN A 18 4.674 10.141 11.981 1.00 0.00 C ATOM 294 OE1 GLN A 18 5.781 9.642 11.776 1.00 0.00 O ATOM 295 NE2 GLN A 18 4.512 11.426 12.274 1.00 0.00 N ATOM 0 H GLN A 18 1.640 6.665 11.382 1.00 0.00 H new ATOM 0 HA GLN A 18 1.938 7.130 14.154 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.530 9.643 13.825 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.831 8.469 13.834 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.591 8.445 11.257 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.617 9.888 11.454 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.576 11.798 12.436 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.323 12.041 12.337 1.00 0.00 H new ATOM 304 N GLU A 19 -0.473 7.371 13.082 1.00 0.00 N ATOM 305 CA GLU A 19 -1.867 7.786 12.915 1.00 0.00 C ATOM 306 C GLU A 19 -2.804 6.581 12.922 1.00 0.00 C ATOM 307 O GLU A 19 -3.706 6.487 13.755 1.00 0.00 O ATOM 308 CB GLU A 19 -2.050 8.564 11.609 1.00 0.00 C ATOM 309 CG GLU A 19 -3.167 9.594 11.666 1.00 0.00 C ATOM 310 CD GLU A 19 -2.769 10.922 11.051 1.00 0.00 C ATOM 311 OE1 GLU A 19 -2.224 11.775 11.782 1.00 0.00 O ATOM 312 OE2 GLU A 19 -3.003 11.108 9.838 1.00 0.00 O ATOM 0 H GLU A 19 -0.351 6.375 13.262 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.118 8.433 13.756 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.115 9.067 11.361 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.257 7.860 10.803 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.042 9.205 11.145 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.458 9.752 12.705 1.00 0.00 H new ATOM 319 N SER A 20 -2.592 5.670 11.978 1.00 0.00 N ATOM 320 CA SER A 20 -3.420 4.477 11.859 1.00 0.00 C ATOM 321 C SER A 20 -2.716 3.252 12.431 1.00 0.00 C ATOM 322 O SER A 20 -3.333 2.431 13.109 1.00 0.00 O ATOM 323 CB SER A 20 -3.770 4.228 10.390 1.00 0.00 C ATOM 324 OG SER A 20 -4.658 5.218 9.901 1.00 0.00 O ATOM 0 H SER A 20 -1.850 5.737 11.281 1.00 0.00 H new ATOM 0 HA SER A 20 -4.332 4.645 12.431 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.859 4.225 9.792 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.225 3.243 10.283 1.00 0.00 H new ATOM 0 HG SER A 20 -4.154 5.886 9.391 1.00 0.00 H new ATOM 330 N GLY A 21 -1.428 3.125 12.140 1.00 0.00 N ATOM 331 CA GLY A 21 -0.671 1.986 12.620 1.00 0.00 C ATOM 332 C GLY A 21 -0.627 0.868 11.596 1.00 0.00 C ATOM 333 O GLY A 21 0.433 0.306 11.322 1.00 0.00 O ATOM 0 H GLY A 21 -0.894 3.790 11.580 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.345 2.300 12.860 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.117 1.616 13.543 1.00 0.00 H new ATOM 337 N ASP A 22 -1.787 0.551 11.028 1.00 0.00 N ATOM 338 CA ASP A 22 -1.887 -0.504 10.022 1.00 0.00 C ATOM 339 C ASP A 22 -3.313 -0.621 9.464 1.00 0.00 C ATOM 340 O ASP A 22 -3.642 -1.595 8.788 1.00 0.00 O ATOM 341 CB ASP A 22 -1.435 -1.834 10.637 1.00 0.00 C ATOM 342 CG ASP A 22 -2.581 -2.782 10.951 1.00 0.00 C ATOM 343 OD1 ASP A 22 -3.131 -2.699 12.070 1.00 0.00 O ATOM 344 OD2 ASP A 22 -2.924 -3.606 10.077 1.00 0.00 O ATOM 0 H ASP A 22 -2.672 1.009 11.247 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.236 -0.249 9.186 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.746 -2.326 9.951 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.881 -1.631 11.554 1.00 0.00 H new ATOM 349 N CYS A 23 -4.150 0.372 9.757 1.00 0.00 N ATOM 350 CA CYS A 23 -5.537 0.384 9.291 1.00 0.00 C ATOM 351 C CYS A 23 -5.602 0.287 7.766 1.00 0.00 C ATOM 352 O CYS A 23 -4.692 -0.250 7.140 1.00 0.00 O ATOM 353 CB CYS A 23 -6.237 1.651 9.786 1.00 0.00 C ATOM 354 SG CYS A 23 -6.109 1.911 11.570 1.00 0.00 S ATOM 0 H CYS A 23 -3.891 1.183 10.318 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.052 -0.486 9.699 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.812 2.513 9.272 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -7.291 1.603 9.511 1.00 0.00 H new ATOM 0 HG CYS A 23 -4.856 1.986 11.909 1.00 0.00 H new ATOM 360 N THR A 24 -6.675 0.799 7.164 1.00 0.00 N ATOM 361 CA THR A 24 -6.815 0.741 5.713 1.00 0.00 C ATOM 362 C THR A 24 -6.535 2.097 5.082 1.00 0.00 C ATOM 363 O THR A 24 -6.731 3.140 5.705 1.00 0.00 O ATOM 364 CB THR A 24 -8.207 0.250 5.317 1.00 0.00 C ATOM 365 OG1 THR A 24 -8.979 -0.066 6.463 1.00 0.00 O ATOM 366 CG2 THR A 24 -8.175 -0.978 4.433 1.00 0.00 C ATOM 0 H THR A 24 -7.448 1.252 7.651 1.00 0.00 H new ATOM 0 HA THR A 24 -6.079 0.030 5.339 1.00 0.00 H new ATOM 0 HB THR A 24 -8.654 1.073 4.759 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.918 0.158 6.296 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.194 -1.276 4.187 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.632 -0.752 3.515 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.676 -1.792 4.959 1.00 0.00 H new ATOM 374 N GLY A 25 -6.052 2.069 3.845 1.00 0.00 N ATOM 375 CA GLY A 25 -5.726 3.296 3.153 1.00 0.00 C ATOM 376 C GLY A 25 -6.737 3.677 2.091 1.00 0.00 C ATOM 377 O GLY A 25 -7.176 2.841 1.302 1.00 0.00 O ATOM 0 H GLY A 25 -5.881 1.217 3.311 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.652 4.105 3.880 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.745 3.193 2.689 1.00 0.00 H new ATOM 381 N LYS A 26 -7.086 4.954 2.070 1.00 0.00 N ATOM 382 CA LYS A 26 -8.031 5.491 1.101 1.00 0.00 C ATOM 383 C LYS A 26 -7.268 6.279 0.045 1.00 0.00 C ATOM 384 O LYS A 26 -6.560 7.224 0.381 1.00 0.00 O ATOM 385 CB LYS A 26 -9.026 6.408 1.809 1.00 0.00 C ATOM 386 CG LYS A 26 -10.238 6.772 0.976 1.00 0.00 C ATOM 387 CD LYS A 26 -9.883 7.773 -0.113 1.00 0.00 C ATOM 388 CE LYS A 26 -11.097 8.581 -0.538 1.00 0.00 C ATOM 389 NZ LYS A 26 -12.190 7.710 -1.050 1.00 0.00 N ATOM 0 H LYS A 26 -6.723 5.648 2.724 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.575 4.674 0.626 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.362 5.922 2.725 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.513 7.324 2.103 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.654 5.872 0.523 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -11.011 7.191 1.620 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.104 8.445 0.248 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.475 7.246 -0.975 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.462 9.162 0.309 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.807 9.293 -1.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.590 8.127 -1.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.810 6.766 -1.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.935 7.627 -0.329 1.00 0.00 H new ATOM 403 N LEU A 27 -7.383 5.881 -1.221 1.00 0.00 N ATOM 404 CA LEU A 27 -6.658 6.562 -2.291 1.00 0.00 C ATOM 405 C LEU A 27 -7.559 7.465 -3.126 1.00 0.00 C ATOM 406 O LEU A 27 -8.731 7.167 -3.356 1.00 0.00 O ATOM 407 CB LEU A 27 -5.968 5.544 -3.197 1.00 0.00 C ATOM 408 CG LEU A 27 -4.782 6.094 -3.998 1.00 0.00 C ATOM 409 CD1 LEU A 27 -3.516 5.306 -3.698 1.00 0.00 C ATOM 410 CD2 LEU A 27 -5.085 6.070 -5.489 1.00 0.00 C ATOM 0 H LEU A 27 -7.964 5.101 -1.528 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.912 7.196 -1.812 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.620 4.712 -2.585 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.703 5.142 -3.894 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.619 7.129 -3.696 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.688 5.714 -4.277 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.286 5.378 -2.635 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.666 4.260 -3.966 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.231 6.464 -6.040 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.279 5.045 -5.804 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.963 6.684 -5.692 1.00 0.00 H new ATOM 422 N ARG A 28 -6.975 8.573 -3.580 1.00 0.00 N ATOM 423 CA ARG A 28 -7.665 9.565 -4.404 1.00 0.00 C ATOM 424 C ARG A 28 -6.888 10.880 -4.382 1.00 0.00 C ATOM 425 O ARG A 28 -7.366 11.888 -3.862 1.00 0.00 O ATOM 426 CB ARG A 28 -9.102 9.784 -3.912 1.00 0.00 C ATOM 427 CG ARG A 28 -10.150 9.118 -4.793 1.00 0.00 C ATOM 428 CD ARG A 28 -11.194 8.382 -3.967 1.00 0.00 C ATOM 429 NE ARG A 28 -11.740 7.225 -4.677 1.00 0.00 N ATOM 430 CZ ARG A 28 -12.681 7.307 -5.614 1.00 0.00 C ATOM 431 NH1 ARG A 28 -13.191 8.484 -5.954 1.00 0.00 N ATOM 432 NH2 ARG A 28 -13.116 6.206 -6.213 1.00 0.00 N ATOM 0 H ARG A 28 -6.002 8.810 -3.385 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.715 9.194 -5.428 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.193 9.399 -2.897 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.303 10.854 -3.866 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -10.639 9.872 -5.410 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -9.663 8.418 -5.472 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -10.748 8.054 -3.028 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.003 9.066 -3.713 1.00 0.00 H new ATOM 0 HE ARG A 28 -11.378 6.301 -4.440 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -12.862 9.334 -5.496 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -13.912 8.539 -6.673 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -12.729 5.298 -5.955 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -13.837 6.267 -6.932 1.00 0.00 H new ATOM 446 N GLY A 29 -5.663 10.851 -4.915 1.00 0.00 N ATOM 447 CA GLY A 29 -4.824 12.037 -4.905 1.00 0.00 C ATOM 448 C GLY A 29 -4.236 12.279 -3.526 1.00 0.00 C ATOM 449 O GLY A 29 -3.434 13.191 -3.325 1.00 0.00 O ATOM 0 H GLY A 29 -5.242 10.030 -5.350 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.020 11.923 -5.632 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.410 12.904 -5.211 1.00 0.00 H new ATOM 453 N ASN A 30 -4.655 11.445 -2.579 1.00 0.00 N ATOM 454 CA ASN A 30 -4.213 11.512 -1.200 1.00 0.00 C ATOM 455 C ASN A 30 -4.624 10.221 -0.498 1.00 0.00 C ATOM 456 O ASN A 30 -5.454 9.472 -1.015 1.00 0.00 O ATOM 457 CB ASN A 30 -4.820 12.743 -0.503 1.00 0.00 C ATOM 458 CG ASN A 30 -5.278 12.465 0.919 1.00 0.00 C ATOM 459 OD1 ASN A 30 -6.230 11.550 1.067 1.00 0.00 O flip ATOM 460 ND2 ASN A 30 -4.778 13.059 1.872 1.00 0.00 N flip ATOM 0 H ASN A 30 -5.322 10.694 -2.756 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.129 11.616 -1.157 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.082 13.545 -0.489 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.668 13.101 -1.087 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.049 13.755 1.714 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.092 12.856 2.821 1.00 0.00 H new ATOM 467 N VAL A 31 -4.075 9.967 0.679 1.00 0.00 N ATOM 468 CA VAL A 31 -4.436 8.772 1.425 1.00 0.00 C ATOM 469 C VAL A 31 -5.227 9.113 2.681 1.00 0.00 C ATOM 470 O VAL A 31 -4.958 10.108 3.353 1.00 0.00 O ATOM 471 CB VAL A 31 -3.207 7.960 1.837 1.00 0.00 C ATOM 472 CG1 VAL A 31 -2.342 8.778 2.772 1.00 0.00 C ATOM 473 CG2 VAL A 31 -3.621 6.648 2.489 1.00 0.00 C ATOM 0 H VAL A 31 -3.385 10.565 1.135 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.052 8.176 0.752 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.628 7.719 0.945 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.468 8.195 3.062 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.019 9.688 2.266 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.915 9.041 3.661 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.731 6.087 2.774 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.219 6.855 3.376 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.210 6.061 1.784 1.00 0.00 H new ATOM 483 N ALA A 32 -6.184 8.257 3.000 1.00 0.00 N ATOM 484 CA ALA A 32 -7.009 8.433 4.194 1.00 0.00 C ATOM 485 C ALA A 32 -6.952 7.186 5.073 1.00 0.00 C ATOM 486 O ALA A 32 -6.490 6.132 4.636 1.00 0.00 O ATOM 487 CB ALA A 32 -8.446 8.765 3.820 1.00 0.00 C ATOM 0 H ALA A 32 -6.413 7.429 2.450 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.609 9.273 4.762 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -9.038 8.891 4.726 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -8.467 9.689 3.242 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -8.863 7.954 3.224 1.00 0.00 H new ATOM 493 N ALA A 33 -7.402 7.313 6.318 1.00 0.00 N ATOM 494 CA ALA A 33 -7.375 6.192 7.253 1.00 0.00 C ATOM 495 C ALA A 33 -8.759 5.584 7.465 1.00 0.00 C ATOM 496 O ALA A 33 -9.660 6.229 8.002 1.00 0.00 O ATOM 497 CB ALA A 33 -6.788 6.639 8.583 1.00 0.00 C ATOM 0 H ALA A 33 -7.788 8.176 6.702 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.745 5.417 6.817 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.771 5.797 9.275 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.772 7.002 8.429 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.399 7.439 9.000 1.00 0.00 H new ATOM 503 N ASN A 34 -8.910 4.329 7.047 1.00 0.00 N ATOM 504 CA ASN A 34 -10.171 3.607 7.192 1.00 0.00 C ATOM 505 C ASN A 34 -10.099 2.627 8.359 1.00 0.00 C ATOM 506 O ASN A 34 -9.105 1.920 8.525 1.00 0.00 O ATOM 507 CB ASN A 34 -10.489 2.842 5.908 1.00 0.00 C ATOM 508 CG ASN A 34 -11.722 1.966 6.038 1.00 0.00 C ATOM 509 OD1 ASN A 34 -11.552 0.665 5.818 1.00 0.00 O flip ATOM 510 ND2 ASN A 34 -12.814 2.451 6.333 1.00 0.00 N flip ATOM 0 H ASN A 34 -8.168 3.788 6.602 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.959 4.334 7.388 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -10.637 3.552 5.094 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -9.634 2.222 5.638 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -12.900 3.455 6.493 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -13.633 1.849 6.417 1.00 0.00 H new ATOM 517 N LYS A 35 -11.162 2.582 9.157 1.00 0.00 N ATOM 518 CA LYS A 35 -11.220 1.681 10.303 1.00 0.00 C ATOM 519 C LYS A 35 -12.663 1.344 10.662 1.00 0.00 C ATOM 520 O LYS A 35 -13.006 1.208 11.837 1.00 0.00 O ATOM 521 CB LYS A 35 -10.515 2.306 11.505 1.00 0.00 C ATOM 522 CG LYS A 35 -10.891 3.761 11.743 1.00 0.00 C ATOM 523 CD LYS A 35 -9.660 4.629 11.952 1.00 0.00 C ATOM 524 CE LYS A 35 -9.105 4.478 13.358 1.00 0.00 C ATOM 525 NZ LYS A 35 -7.691 4.935 13.450 1.00 0.00 N ATOM 0 H LYS A 35 -11.994 3.158 9.031 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.710 0.757 10.031 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -10.754 1.727 12.397 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.437 2.237 11.360 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -11.460 4.134 10.892 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.540 3.832 12.616 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.894 4.357 11.226 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.915 5.673 11.770 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.718 5.052 14.053 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.169 3.434 13.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.350 4.815 14.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.101 4.371 12.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.632 5.939 13.184 1.00 0.00 H new ATOM 539 N GLU A 36 -13.505 1.213 9.643 1.00 0.00 N ATOM 540 CA GLU A 36 -14.914 0.894 9.850 1.00 0.00 C ATOM 541 C GLU A 36 -15.266 -0.471 9.259 1.00 0.00 C ATOM 542 O GLU A 36 -16.237 -1.104 9.674 1.00 0.00 O ATOM 543 CB GLU A 36 -15.799 1.975 9.230 1.00 0.00 C ATOM 544 CG GLU A 36 -17.143 2.131 9.924 1.00 0.00 C ATOM 545 CD GLU A 36 -17.018 2.745 11.304 1.00 0.00 C ATOM 546 OE1 GLU A 36 -16.728 1.998 12.262 1.00 0.00 O ATOM 547 OE2 GLU A 36 -17.210 3.973 11.427 1.00 0.00 O ATOM 0 H GLU A 36 -13.237 1.323 8.665 1.00 0.00 H new ATOM 0 HA GLU A 36 -15.094 0.856 10.924 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -15.270 2.928 9.261 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -15.967 1.737 8.180 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -17.794 2.754 9.311 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -17.621 1.155 10.007 1.00 0.00 H new ATOM 554 N THR A 37 -14.471 -0.922 8.291 1.00 0.00 N ATOM 555 CA THR A 37 -14.704 -2.213 7.649 1.00 0.00 C ATOM 556 C THR A 37 -13.457 -3.081 7.709 1.00 0.00 C ATOM 557 O THR A 37 -13.519 -4.255 8.072 1.00 0.00 O ATOM 558 CB THR A 37 -15.138 -2.016 6.196 1.00 0.00 C ATOM 559 OG1 THR A 37 -16.044 -0.931 6.087 1.00 0.00 O ATOM 560 CG2 THR A 37 -15.807 -3.236 5.604 1.00 0.00 C ATOM 0 H THR A 37 -13.662 -0.414 7.935 1.00 0.00 H new ATOM 0 HA THR A 37 -15.503 -2.720 8.190 1.00 0.00 H new ATOM 0 HB THR A 37 -14.220 -1.820 5.642 1.00 0.00 H new ATOM 0 HG1 THR A 37 -16.309 -0.819 5.150 1.00 0.00 H new ATOM 0 HG21 THR A 37 -16.091 -3.031 4.572 1.00 0.00 H new ATOM 0 HG22 THR A 37 -15.116 -4.078 5.630 1.00 0.00 H new ATOM 0 HG23 THR A 37 -16.698 -3.480 6.183 1.00 0.00 H new ATOM 568 N THR A 38 -12.330 -2.484 7.349 1.00 0.00 N ATOM 569 CA THR A 38 -11.040 -3.165 7.349 1.00 0.00 C ATOM 570 C THR A 38 -10.838 -3.973 6.079 1.00 0.00 C ATOM 571 O THR A 38 -11.121 -5.170 6.014 1.00 0.00 O ATOM 572 CB THR A 38 -10.848 -4.054 8.574 1.00 0.00 C ATOM 573 OG1 THR A 38 -11.440 -5.328 8.386 1.00 0.00 O ATOM 574 CG2 THR A 38 -11.412 -3.462 9.847 1.00 0.00 C ATOM 0 H THR A 38 -12.283 -1.511 7.047 1.00 0.00 H new ATOM 0 HA THR A 38 -10.283 -2.381 7.389 1.00 0.00 H new ATOM 0 HB THR A 38 -9.767 -4.143 8.685 1.00 0.00 H new ATOM 0 HG1 THR A 38 -12.112 -5.275 7.675 1.00 0.00 H new ATOM 0 HG21 THR A 38 -11.239 -4.149 10.675 1.00 0.00 H new ATOM 0 HG22 THR A 38 -10.921 -2.511 10.055 1.00 0.00 H new ATOM 0 HG23 THR A 38 -12.483 -3.299 9.729 1.00 0.00 H new ATOM 582 N PHE A 39 -10.331 -3.283 5.083 1.00 0.00 N ATOM 583 CA PHE A 39 -10.045 -3.873 3.778 1.00 0.00 C ATOM 584 C PHE A 39 -8.704 -4.594 3.799 1.00 0.00 C ATOM 585 O PHE A 39 -7.703 -4.053 4.270 1.00 0.00 O ATOM 586 CB PHE A 39 -10.041 -2.802 2.692 1.00 0.00 C ATOM 587 CG PHE A 39 -11.050 -1.709 2.924 1.00 0.00 C ATOM 588 CD1 PHE A 39 -12.370 -2.020 3.202 1.00 0.00 C ATOM 589 CD2 PHE A 39 -10.675 -0.376 2.877 1.00 0.00 C ATOM 590 CE1 PHE A 39 -13.299 -1.022 3.430 1.00 0.00 C ATOM 591 CE2 PHE A 39 -11.598 0.627 3.102 1.00 0.00 C ATOM 592 CZ PHE A 39 -12.913 0.303 3.380 1.00 0.00 C ATOM 0 H PHE A 39 -10.101 -2.291 5.147 1.00 0.00 H new ATOM 0 HA PHE A 39 -10.830 -4.595 3.555 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -9.046 -2.361 2.632 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -10.240 -3.272 1.729 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -12.678 -3.055 3.241 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -9.649 -0.118 2.662 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -14.325 -1.278 3.647 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -11.293 1.662 3.061 1.00 0.00 H new ATOM 0 HZ PHE A 39 -13.637 1.085 3.558 1.00 0.00 H new ATOM 602 N GLN A 40 -8.691 -5.821 3.294 1.00 0.00 N ATOM 603 CA GLN A 40 -7.473 -6.621 3.260 1.00 0.00 C ATOM 604 C GLN A 40 -7.036 -6.911 1.827 1.00 0.00 C ATOM 605 O GLN A 40 -5.843 -6.982 1.531 1.00 0.00 O ATOM 606 CB GLN A 40 -7.679 -7.932 4.021 1.00 0.00 C ATOM 607 CG GLN A 40 -8.848 -8.758 3.509 1.00 0.00 C ATOM 608 CD GLN A 40 -10.167 -8.358 4.141 1.00 0.00 C ATOM 609 OE1 GLN A 40 -11.105 -7.907 3.318 1.00 0.00 O flip ATOM 610 NE2 GLN A 40 -10.340 -8.453 5.356 1.00 0.00 N flip ATOM 0 H GLN A 40 -9.511 -6.284 2.902 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.683 -6.046 3.743 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -6.768 -8.527 3.955 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -7.838 -7.708 5.076 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -8.920 -8.647 2.427 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -8.658 -9.812 3.710 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -9.591 -8.805 5.952 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -11.233 -8.180 5.767 1.00 0.00 H new ATOM 619 N GLY A 41 -8.011 -7.081 0.947 1.00 0.00 N ATOM 620 CA GLY A 41 -7.728 -7.367 -0.448 1.00 0.00 C ATOM 621 C GLY A 41 -8.845 -8.161 -1.085 1.00 0.00 C ATOM 622 O GLY A 41 -8.615 -9.196 -1.707 1.00 0.00 O ATOM 0 H GLY A 41 -9.004 -7.026 1.175 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.588 -6.433 -0.991 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.794 -7.924 -0.525 1.00 0.00 H new ATOM 626 N LEU A 42 -10.059 -7.661 -0.911 1.00 0.00 N ATOM 627 CA LEU A 42 -11.255 -8.283 -1.449 1.00 0.00 C ATOM 628 C LEU A 42 -11.784 -7.432 -2.614 1.00 0.00 C ATOM 629 O LEU A 42 -11.112 -6.493 -3.035 1.00 0.00 O ATOM 630 CB LEU A 42 -12.256 -8.478 -0.299 1.00 0.00 C ATOM 631 CG LEU A 42 -13.610 -7.790 -0.409 1.00 0.00 C ATOM 632 CD1 LEU A 42 -14.664 -8.794 -0.841 1.00 0.00 C ATOM 633 CD2 LEU A 42 -13.979 -7.161 0.928 1.00 0.00 C ATOM 0 H LEU A 42 -10.241 -6.805 -0.388 1.00 0.00 H new ATOM 0 HA LEU A 42 -11.057 -9.271 -1.865 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -12.433 -9.548 -0.187 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.780 -8.135 0.620 1.00 0.00 H new ATOM 0 HG LEU A 42 -13.557 -7.001 -1.159 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -15.631 -8.296 -0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -14.393 -9.212 -1.810 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -14.726 -9.596 -0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -14.949 -6.670 0.844 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -14.030 -7.936 1.693 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -13.223 -6.426 1.205 1.00 0.00 H new ATOM 645 N THR A 43 -12.949 -7.766 -3.164 1.00 0.00 N ATOM 646 CA THR A 43 -13.482 -7.018 -4.305 1.00 0.00 C ATOM 647 C THR A 43 -14.829 -6.364 -4.002 1.00 0.00 C ATOM 648 O THR A 43 -15.849 -6.728 -4.590 1.00 0.00 O ATOM 649 CB THR A 43 -13.617 -7.949 -5.511 1.00 0.00 C ATOM 650 OG1 THR A 43 -12.351 -8.457 -5.896 1.00 0.00 O ATOM 651 CG2 THR A 43 -14.232 -7.282 -6.722 1.00 0.00 C ATOM 0 H THR A 43 -13.536 -8.537 -2.846 1.00 0.00 H new ATOM 0 HA THR A 43 -12.778 -6.215 -4.524 1.00 0.00 H new ATOM 0 HB THR A 43 -14.282 -8.748 -5.183 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.458 -9.052 -6.668 1.00 0.00 H new ATOM 0 HG21 THR A 43 -14.297 -8.000 -7.539 1.00 0.00 H new ATOM 0 HG22 THR A 43 -15.231 -6.925 -6.472 1.00 0.00 H new ATOM 0 HG23 THR A 43 -13.611 -6.440 -7.028 1.00 0.00 H new ATOM 659 N ILE A 44 -14.822 -5.377 -3.110 1.00 0.00 N ATOM 660 CA ILE A 44 -16.038 -4.638 -2.744 1.00 0.00 C ATOM 661 C ILE A 44 -17.257 -5.539 -2.477 1.00 0.00 C ATOM 662 O ILE A 44 -18.364 -5.037 -2.285 1.00 0.00 O ATOM 663 CB ILE A 44 -16.426 -3.643 -3.850 1.00 0.00 C ATOM 664 CG1 ILE A 44 -15.180 -3.056 -4.517 1.00 0.00 C ATOM 665 CG2 ILE A 44 -17.301 -2.533 -3.286 1.00 0.00 C ATOM 666 CD1 ILE A 44 -14.793 -3.755 -5.802 1.00 0.00 C ATOM 0 H ILE A 44 -13.983 -5.065 -2.621 1.00 0.00 H new ATOM 0 HA ILE A 44 -15.785 -4.124 -1.817 1.00 0.00 H new ATOM 0 HB ILE A 44 -16.995 -4.182 -4.607 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -15.353 -2.000 -4.726 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -14.345 -3.110 -3.818 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -17.566 -1.838 -4.083 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -18.209 -2.964 -2.864 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -16.756 -2.000 -2.507 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -13.902 -3.285 -6.218 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -14.587 -4.806 -5.597 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -15.611 -3.679 -6.518 1.00 0.00 H new ATOM 678 N ALA A 45 -17.065 -6.852 -2.481 1.00 0.00 N ATOM 679 CA ALA A 45 -18.164 -7.787 -2.256 1.00 0.00 C ATOM 680 C ALA A 45 -18.619 -7.778 -0.801 1.00 0.00 C ATOM 681 O ALA A 45 -19.789 -7.529 -0.510 1.00 0.00 O ATOM 682 CB ALA A 45 -17.757 -9.193 -2.672 1.00 0.00 C ATOM 0 H ALA A 45 -16.160 -7.295 -2.637 1.00 0.00 H new ATOM 0 HA ALA A 45 -19.005 -7.463 -2.870 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -18.587 -9.878 -2.498 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -17.497 -9.198 -3.731 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -16.895 -9.511 -2.085 1.00 0.00 H new ATOM 688 N SER A 46 -17.693 -8.055 0.109 1.00 0.00 N ATOM 689 CA SER A 46 -18.011 -8.081 1.533 1.00 0.00 C ATOM 690 C SER A 46 -18.568 -6.736 1.985 1.00 0.00 C ATOM 691 O SER A 46 -19.707 -6.646 2.444 1.00 0.00 O ATOM 692 CB SER A 46 -16.768 -8.436 2.352 1.00 0.00 C ATOM 693 OG SER A 46 -17.088 -9.334 3.400 1.00 0.00 O ATOM 0 H SER A 46 -16.719 -8.264 -0.111 1.00 0.00 H new ATOM 0 HA SER A 46 -18.771 -8.845 1.698 1.00 0.00 H new ATOM 0 HB2 SER A 46 -16.016 -8.884 1.702 1.00 0.00 H new ATOM 0 HB3 SER A 46 -16.331 -7.528 2.767 1.00 0.00 H new ATOM 0 HG SER A 46 -16.277 -9.547 3.907 1.00 0.00 H new ATOM 699 N GLY A 47 -17.758 -5.694 1.847 1.00 0.00 N ATOM 700 CA GLY A 47 -18.186 -4.366 2.240 1.00 0.00 C ATOM 701 C GLY A 47 -17.123 -3.314 1.997 1.00 0.00 C ATOM 702 O GLY A 47 -17.042 -2.327 2.727 1.00 0.00 O ATOM 0 H GLY A 47 -16.812 -5.745 1.470 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -19.087 -4.101 1.687 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -18.451 -4.372 3.297 1.00 0.00 H new ATOM 706 N ALA A 48 -16.302 -3.520 0.970 1.00 0.00 N ATOM 707 CA ALA A 48 -15.244 -2.574 0.648 1.00 0.00 C ATOM 708 C ALA A 48 -15.788 -1.383 -0.139 1.00 0.00 C ATOM 709 O ALA A 48 -16.999 -1.178 -0.223 1.00 0.00 O ATOM 710 CB ALA A 48 -14.145 -3.272 -0.137 1.00 0.00 C ATOM 0 H ALA A 48 -16.351 -4.330 0.351 1.00 0.00 H new ATOM 0 HA ALA A 48 -14.829 -2.194 1.582 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -13.357 -2.557 -0.374 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -13.731 -4.084 0.461 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -14.558 -3.676 -1.061 1.00 0.00 H new ATOM 716 N ARG A 49 -14.878 -0.603 -0.713 1.00 0.00 N ATOM 717 CA ARG A 49 -15.244 0.570 -1.497 1.00 0.00 C ATOM 718 C ARG A 49 -14.385 0.650 -2.757 1.00 0.00 C ATOM 719 O ARG A 49 -13.825 -0.355 -3.191 1.00 0.00 O ATOM 720 CB ARG A 49 -15.080 1.840 -0.656 1.00 0.00 C ATOM 721 CG ARG A 49 -15.769 1.767 0.697 1.00 0.00 C ATOM 722 CD ARG A 49 -17.276 1.625 0.549 1.00 0.00 C ATOM 723 NE ARG A 49 -17.822 0.620 1.457 1.00 0.00 N ATOM 724 CZ ARG A 49 -19.004 0.031 1.288 1.00 0.00 C ATOM 725 NH1 ARG A 49 -19.764 0.340 0.244 1.00 0.00 N ATOM 726 NH2 ARG A 49 -19.427 -0.870 2.164 1.00 0.00 N ATOM 0 H ARG A 49 -13.873 -0.765 -0.648 1.00 0.00 H new ATOM 0 HA ARG A 49 -16.289 0.483 -1.794 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -14.018 2.030 -0.504 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -15.479 2.688 -1.212 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -15.377 0.921 1.261 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -15.542 2.665 1.271 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -17.752 2.586 0.744 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -17.515 1.353 -0.479 1.00 0.00 H new ATOM 0 HE ARG A 49 -17.265 0.354 2.269 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -19.443 1.032 -0.433 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -20.669 -0.114 0.119 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -18.847 -1.112 2.967 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -20.333 -1.321 2.035 1.00 0.00 H new ATOM 740 N GLU A 50 -14.284 1.839 -3.346 1.00 0.00 N ATOM 741 CA GLU A 50 -13.491 2.023 -4.558 1.00 0.00 C ATOM 742 C GLU A 50 -12.080 2.512 -4.238 1.00 0.00 C ATOM 743 O GLU A 50 -11.136 2.219 -4.968 1.00 0.00 O ATOM 744 CB GLU A 50 -14.181 3.015 -5.495 1.00 0.00 C ATOM 745 CG GLU A 50 -15.664 2.743 -5.686 1.00 0.00 C ATOM 746 CD GLU A 50 -16.533 3.605 -4.791 1.00 0.00 C ATOM 747 OE1 GLU A 50 -16.317 3.590 -3.561 1.00 0.00 O ATOM 748 OE2 GLU A 50 -17.430 4.294 -5.321 1.00 0.00 O ATOM 0 H GLU A 50 -14.739 2.686 -3.005 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.410 1.053 -5.049 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -14.053 4.023 -5.101 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -13.687 2.988 -6.466 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -15.932 2.921 -6.727 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -15.867 1.692 -5.480 1.00 0.00 H new ATOM 755 N SER A 51 -11.951 3.269 -3.151 1.00 0.00 N ATOM 756 CA SER A 51 -10.659 3.820 -2.735 1.00 0.00 C ATOM 757 C SER A 51 -9.646 2.723 -2.407 1.00 0.00 C ATOM 758 O SER A 51 -8.489 2.791 -2.824 1.00 0.00 O ATOM 759 CB SER A 51 -10.845 4.732 -1.524 1.00 0.00 C ATOM 760 OG SER A 51 -12.205 5.096 -1.363 1.00 0.00 O ATOM 0 H SER A 51 -12.728 3.517 -2.538 1.00 0.00 H new ATOM 0 HA SER A 51 -10.264 4.395 -3.573 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.492 4.225 -0.626 1.00 0.00 H new ATOM 0 HB3 SER A 51 -10.237 5.629 -1.644 1.00 0.00 H new ATOM 0 HG SER A 51 -12.480 4.933 -0.437 1.00 0.00 H new ATOM 766 N GLU A 52 -10.077 1.717 -1.659 1.00 0.00 N ATOM 767 CA GLU A 52 -9.188 0.617 -1.290 1.00 0.00 C ATOM 768 C GLU A 52 -8.656 -0.075 -2.540 1.00 0.00 C ATOM 769 O GLU A 52 -7.459 -0.038 -2.825 1.00 0.00 O ATOM 770 CB GLU A 52 -9.903 -0.404 -0.390 1.00 0.00 C ATOM 771 CG GLU A 52 -11.419 -0.436 -0.545 1.00 0.00 C ATOM 772 CD GLU A 52 -12.113 0.614 0.297 1.00 0.00 C ATOM 773 OE1 GLU A 52 -11.533 1.705 0.482 1.00 0.00 O ATOM 774 OE2 GLU A 52 -13.234 0.349 0.772 1.00 0.00 O ATOM 0 H GLU A 52 -11.027 1.637 -1.297 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.354 1.038 -0.729 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.508 -1.397 -0.605 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.662 -0.183 0.650 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -11.677 -0.284 -1.593 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -11.788 -1.423 -0.266 1.00 0.00 H new ATOM 781 N LYS A 53 -9.560 -0.698 -3.284 1.00 0.00 N ATOM 782 CA LYS A 53 -9.207 -1.400 -4.515 1.00 0.00 C ATOM 783 C LYS A 53 -8.286 -0.559 -5.398 1.00 0.00 C ATOM 784 O LYS A 53 -7.167 -0.975 -5.699 1.00 0.00 O ATOM 785 CB LYS A 53 -10.470 -1.774 -5.288 1.00 0.00 C ATOM 786 CG LYS A 53 -11.558 -0.727 -5.203 1.00 0.00 C ATOM 787 CD LYS A 53 -12.186 -0.462 -6.557 1.00 0.00 C ATOM 788 CE LYS A 53 -13.651 -0.868 -6.586 1.00 0.00 C ATOM 789 NZ LYS A 53 -14.472 0.077 -7.391 1.00 0.00 N ATOM 0 H LYS A 53 -10.553 -0.732 -3.055 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.670 -2.307 -4.237 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.212 -1.935 -6.335 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.855 -2.719 -4.905 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.326 -1.056 -4.503 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.142 0.199 -4.807 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -12.097 0.597 -6.799 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.641 -1.011 -7.325 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.742 -1.872 -7.001 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -14.037 -0.908 -5.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -15.452 0.069 -7.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.082 1.037 -7.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.457 -0.213 -8.390 1.00 0.00 H new ATOM 803 N VAL A 54 -8.745 0.629 -5.809 1.00 0.00 N ATOM 804 CA VAL A 54 -7.937 1.499 -6.642 1.00 0.00 C ATOM 805 C VAL A 54 -6.545 1.649 -6.053 1.00 0.00 C ATOM 806 O VAL A 54 -5.547 1.568 -6.762 1.00 0.00 O ATOM 807 CB VAL A 54 -8.570 2.888 -6.785 1.00 0.00 C ATOM 808 CG1 VAL A 54 -9.803 2.836 -7.672 1.00 0.00 C ATOM 809 CG2 VAL A 54 -8.901 3.473 -5.426 1.00 0.00 C ATOM 0 H VAL A 54 -9.666 1.000 -5.575 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.876 1.039 -7.628 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.842 3.542 -7.264 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -10.233 3.834 -7.757 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.524 2.476 -8.662 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -10.538 2.161 -7.234 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.349 4.459 -5.553 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -9.604 2.819 -4.910 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.989 3.563 -4.836 1.00 0.00 H new ATOM 819 N PHE A 55 -6.494 1.847 -4.742 1.00 0.00 N ATOM 820 CA PHE A 55 -5.224 1.982 -4.036 1.00 0.00 C ATOM 821 C PHE A 55 -4.328 0.788 -4.351 1.00 0.00 C ATOM 822 O PHE A 55 -3.186 0.947 -4.781 1.00 0.00 O ATOM 823 CB PHE A 55 -5.465 2.069 -2.526 1.00 0.00 C ATOM 824 CG PHE A 55 -4.375 2.767 -1.755 1.00 0.00 C ATOM 825 CD1 PHE A 55 -3.046 2.675 -2.144 1.00 0.00 C ATOM 826 CD2 PHE A 55 -4.687 3.514 -0.631 1.00 0.00 C ATOM 827 CE1 PHE A 55 -2.054 3.316 -1.426 1.00 0.00 C ATOM 828 CE2 PHE A 55 -3.699 4.157 0.089 1.00 0.00 C ATOM 829 CZ PHE A 55 -2.381 4.058 -0.308 1.00 0.00 C ATOM 0 H PHE A 55 -7.318 1.918 -4.145 1.00 0.00 H new ATOM 0 HA PHE A 55 -4.732 2.897 -4.366 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -6.406 2.590 -2.351 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -5.582 1.060 -2.131 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.784 2.096 -3.017 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.716 3.595 -0.313 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.023 3.237 -1.739 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.958 4.737 0.962 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.607 4.560 0.254 1.00 0.00 H new ATOM 839 N ALA A 56 -4.865 -0.411 -4.145 1.00 0.00 N ATOM 840 CA ALA A 56 -4.127 -1.638 -4.415 1.00 0.00 C ATOM 841 C ALA A 56 -3.619 -1.659 -5.850 1.00 0.00 C ATOM 842 O ALA A 56 -2.457 -1.975 -6.104 1.00 0.00 O ATOM 843 CB ALA A 56 -5.004 -2.852 -4.146 1.00 0.00 C ATOM 0 H ALA A 56 -5.810 -0.558 -3.791 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.266 -1.673 -3.748 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.440 -3.761 -4.352 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.319 -2.849 -3.103 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.882 -2.816 -4.791 1.00 0.00 H new ATOM 849 N GLN A 57 -4.497 -1.315 -6.786 1.00 0.00 N ATOM 850 CA GLN A 57 -4.130 -1.291 -8.197 1.00 0.00 C ATOM 851 C GLN A 57 -3.093 -0.202 -8.463 1.00 0.00 C ATOM 852 O GLN A 57 -2.125 -0.407 -9.200 1.00 0.00 O ATOM 853 CB GLN A 57 -5.372 -1.052 -9.060 1.00 0.00 C ATOM 854 CG GLN A 57 -5.074 -0.959 -10.546 1.00 0.00 C ATOM 855 CD GLN A 57 -4.373 -2.194 -11.076 1.00 0.00 C ATOM 856 OE1 GLN A 57 -3.352 -2.099 -11.756 1.00 0.00 O ATOM 857 NE2 GLN A 57 -4.921 -3.363 -10.764 1.00 0.00 N ATOM 0 H GLN A 57 -5.463 -1.050 -6.595 1.00 0.00 H new ATOM 0 HA GLN A 57 -3.696 -2.256 -8.457 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -6.082 -1.861 -8.891 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.856 -0.130 -8.737 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.006 -0.812 -11.092 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -4.453 -0.083 -10.735 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -5.768 -3.394 -10.197 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -4.494 -4.230 -11.091 1.00 0.00 H new ATOM 866 N THR A 58 -3.308 0.955 -7.849 1.00 0.00 N ATOM 867 CA THR A 58 -2.413 2.089 -8.004 1.00 0.00 C ATOM 868 C THR A 58 -1.009 1.742 -7.534 1.00 0.00 C ATOM 869 O THR A 58 -0.028 2.018 -8.226 1.00 0.00 O ATOM 870 CB THR A 58 -2.944 3.288 -7.220 1.00 0.00 C ATOM 871 OG1 THR A 58 -4.231 3.658 -7.681 1.00 0.00 O ATOM 872 CG2 THR A 58 -2.055 4.506 -7.317 1.00 0.00 C ATOM 0 H THR A 58 -4.103 1.131 -7.234 1.00 0.00 H new ATOM 0 HA THR A 58 -2.367 2.344 -9.063 1.00 0.00 H new ATOM 0 HB THR A 58 -2.975 2.963 -6.180 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.832 2.886 -7.627 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.490 5.321 -6.738 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.067 4.268 -6.923 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.966 4.809 -8.360 1.00 0.00 H new ATOM 880 N VAL A 59 -0.912 1.137 -6.355 1.00 0.00 N ATOM 881 CA VAL A 59 0.384 0.764 -5.817 1.00 0.00 C ATOM 882 C VAL A 59 0.993 -0.381 -6.615 1.00 0.00 C ATOM 883 O VAL A 59 2.202 -0.407 -6.849 1.00 0.00 O ATOM 884 CB VAL A 59 0.317 0.367 -4.330 1.00 0.00 C ATOM 885 CG1 VAL A 59 -0.576 -0.841 -4.110 1.00 0.00 C ATOM 886 CG2 VAL A 59 1.709 0.083 -3.809 1.00 0.00 C ATOM 0 H VAL A 59 -1.707 0.898 -5.762 1.00 0.00 H new ATOM 0 HA VAL A 59 1.015 1.649 -5.900 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.116 1.204 -3.781 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.597 -1.089 -3.049 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.586 -0.613 -4.449 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.187 -1.689 -4.674 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.654 -0.197 -2.757 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.151 -0.734 -4.379 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.326 0.975 -3.915 1.00 0.00 H new ATOM 896 N LEU A 60 0.156 -1.324 -7.041 1.00 0.00 N ATOM 897 CA LEU A 60 0.635 -2.454 -7.819 1.00 0.00 C ATOM 898 C LEU A 60 1.299 -1.956 -9.095 1.00 0.00 C ATOM 899 O LEU A 60 2.305 -2.502 -9.543 1.00 0.00 O ATOM 900 CB LEU A 60 -0.519 -3.399 -8.154 1.00 0.00 C ATOM 901 CG LEU A 60 -0.148 -4.554 -9.081 1.00 0.00 C ATOM 902 CD1 LEU A 60 0.230 -5.788 -8.276 1.00 0.00 C ATOM 903 CD2 LEU A 60 -1.293 -4.865 -10.034 1.00 0.00 C ATOM 0 H LEU A 60 -0.848 -1.325 -6.861 1.00 0.00 H new ATOM 0 HA LEU A 60 1.368 -3.004 -7.229 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.916 -3.809 -7.226 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.320 -2.823 -8.616 1.00 0.00 H new ATOM 0 HG LEU A 60 0.717 -4.254 -9.672 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.491 -6.600 -8.955 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.084 -5.559 -7.639 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.614 -6.091 -7.656 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.009 -5.691 -10.686 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.178 -5.143 -9.461 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.513 -3.985 -10.638 1.00 0.00 H new ATOM 915 N SER A 61 0.724 -0.907 -9.668 1.00 0.00 N ATOM 916 CA SER A 61 1.254 -0.315 -10.888 1.00 0.00 C ATOM 917 C SER A 61 2.551 0.443 -10.611 1.00 0.00 C ATOM 918 O SER A 61 3.569 0.200 -11.260 1.00 0.00 O ATOM 919 CB SER A 61 0.221 0.621 -11.510 1.00 0.00 C ATOM 920 OG SER A 61 0.796 1.406 -12.540 1.00 0.00 O ATOM 0 H SER A 61 -0.112 -0.448 -9.306 1.00 0.00 H new ATOM 0 HA SER A 61 1.474 -1.120 -11.589 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.607 0.037 -11.913 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.193 1.273 -10.741 1.00 0.00 H new ATOM 0 HG SER A 61 0.113 1.995 -12.922 1.00 0.00 H new ATOM 926 N HIS A 62 2.515 1.357 -9.640 1.00 0.00 N ATOM 927 CA HIS A 62 3.701 2.133 -9.286 1.00 0.00 C ATOM 928 C HIS A 62 4.859 1.203 -8.942 1.00 0.00 C ATOM 929 O HIS A 62 6.018 1.492 -9.243 1.00 0.00 O ATOM 930 CB HIS A 62 3.403 3.064 -8.110 1.00 0.00 C ATOM 931 CG HIS A 62 3.033 4.454 -8.528 1.00 0.00 C ATOM 932 ND1 HIS A 62 3.965 5.434 -8.803 1.00 0.00 N ATOM 933 CD2 HIS A 62 1.821 5.025 -8.724 1.00 0.00 C ATOM 934 CE1 HIS A 62 3.342 6.547 -9.148 1.00 0.00 C ATOM 935 NE2 HIS A 62 2.041 6.325 -9.108 1.00 0.00 N ATOM 0 H HIS A 62 1.684 1.576 -9.090 1.00 0.00 H new ATOM 0 HA HIS A 62 3.983 2.741 -10.145 1.00 0.00 H new ATOM 0 HB2 HIS A 62 2.590 2.642 -7.520 1.00 0.00 H new ATOM 0 HB3 HIS A 62 4.278 3.109 -7.461 1.00 0.00 H new ATOM 0 HD1 HIS A 62 4.977 5.317 -8.748 1.00 0.00 H new ATOM 0 HD2 HIS A 62 0.860 4.547 -8.601 1.00 0.00 H new ATOM 0 HE1 HIS A 62 3.816 7.479 -9.417 1.00 0.00 H new ATOM 944 N VAL A 63 4.526 0.076 -8.325 1.00 0.00 N ATOM 945 CA VAL A 63 5.517 -0.920 -7.948 1.00 0.00 C ATOM 946 C VAL A 63 5.824 -1.831 -9.132 1.00 0.00 C ATOM 947 O VAL A 63 6.904 -1.768 -9.719 1.00 0.00 O ATOM 948 CB VAL A 63 5.021 -1.764 -6.768 1.00 0.00 C ATOM 949 CG1 VAL A 63 6.057 -2.773 -6.334 1.00 0.00 C ATOM 950 CG2 VAL A 63 4.604 -0.876 -5.607 1.00 0.00 C ATOM 0 H VAL A 63 3.569 -0.171 -8.074 1.00 0.00 H new ATOM 0 HA VAL A 63 6.425 -0.397 -7.648 1.00 0.00 H new ATOM 0 HB VAL A 63 4.145 -2.320 -7.103 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.671 -3.353 -5.496 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.284 -3.442 -7.164 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.965 -2.253 -6.028 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.256 -1.496 -4.781 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.457 -0.281 -5.279 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.800 -0.213 -5.927 1.00 0.00 H new ATOM 960 N ALA A 64 4.849 -2.662 -9.486 1.00 0.00 N ATOM 961 CA ALA A 64 4.973 -3.583 -10.613 1.00 0.00 C ATOM 962 C ALA A 64 6.340 -4.273 -10.662 1.00 0.00 C ATOM 963 O ALA A 64 6.804 -4.639 -11.741 1.00 0.00 O ATOM 964 CB ALA A 64 4.723 -2.839 -11.917 1.00 0.00 C ATOM 0 H ALA A 64 3.953 -2.717 -9.002 1.00 0.00 H new ATOM 0 HA ALA A 64 4.224 -4.363 -10.476 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.817 -3.531 -12.754 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.719 -2.415 -11.907 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.454 -2.038 -12.025 1.00 0.00 H new ATOM 970 N ASN A 65 6.977 -4.456 -9.497 1.00 0.00 N ATOM 971 CA ASN A 65 8.296 -5.111 -9.421 1.00 0.00 C ATOM 972 C ASN A 65 9.047 -4.722 -8.145 1.00 0.00 C ATOM 973 O ASN A 65 9.142 -5.512 -7.206 1.00 0.00 O ATOM 974 CB ASN A 65 9.161 -4.761 -10.640 1.00 0.00 C ATOM 975 CG ASN A 65 9.213 -5.885 -11.657 1.00 0.00 C ATOM 976 OD1 ASN A 65 9.011 -5.667 -12.851 1.00 0.00 O ATOM 977 ND2 ASN A 65 9.486 -7.098 -11.187 1.00 0.00 N ATOM 0 H ASN A 65 6.604 -4.161 -8.595 1.00 0.00 H new ATOM 0 HA ASN A 65 8.111 -6.185 -9.407 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.767 -3.863 -11.116 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.173 -4.528 -10.309 1.00 0.00 H new ATOM 0 HD21 ASN A 65 9.535 -7.893 -11.824 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.647 -7.234 -10.189 1.00 0.00 H new ATOM 984 N VAL A 66 9.593 -3.503 -8.130 1.00 0.00 N ATOM 985 CA VAL A 66 10.352 -2.995 -6.982 1.00 0.00 C ATOM 986 C VAL A 66 11.363 -4.030 -6.470 1.00 0.00 C ATOM 987 O VAL A 66 12.021 -4.693 -7.273 1.00 0.00 O ATOM 988 CB VAL A 66 9.414 -2.527 -5.853 1.00 0.00 C ATOM 989 CG1 VAL A 66 8.549 -1.382 -6.346 1.00 0.00 C ATOM 990 CG2 VAL A 66 8.585 -3.686 -5.314 1.00 0.00 C ATOM 0 H VAL A 66 9.523 -2.845 -8.906 1.00 0.00 H new ATOM 0 HA VAL A 66 10.917 -2.128 -7.325 1.00 0.00 H new ATOM 0 HB VAL A 66 10.013 -2.160 -5.019 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.887 -1.054 -5.544 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.185 -0.552 -6.654 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.952 -1.716 -7.195 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.932 -3.327 -4.518 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.980 -4.106 -6.118 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.249 -4.455 -4.919 1.00 0.00 H new ATOM 1000 N VAL A 67 11.509 -4.167 -5.149 1.00 0.00 N ATOM 1001 CA VAL A 67 12.474 -5.129 -4.608 1.00 0.00 C ATOM 1002 C VAL A 67 12.161 -5.548 -3.175 1.00 0.00 C ATOM 1003 O VAL A 67 12.618 -6.594 -2.716 1.00 0.00 O ATOM 1004 CB VAL A 67 13.914 -4.579 -4.675 1.00 0.00 C ATOM 1005 CG1 VAL A 67 14.183 -3.604 -3.536 1.00 0.00 C ATOM 1006 CG2 VAL A 67 14.919 -5.721 -4.657 1.00 0.00 C ATOM 0 H VAL A 67 10.986 -3.639 -4.450 1.00 0.00 H new ATOM 0 HA VAL A 67 12.390 -6.013 -5.240 1.00 0.00 H new ATOM 0 HB VAL A 67 14.026 -4.034 -5.612 1.00 0.00 H new ATOM 0 HG11 VAL A 67 15.205 -3.233 -3.609 1.00 0.00 H new ATOM 0 HG12 VAL A 67 13.487 -2.767 -3.601 1.00 0.00 H new ATOM 0 HG13 VAL A 67 14.049 -4.113 -2.582 1.00 0.00 H new ATOM 0 HG21 VAL A 67 15.930 -5.317 -4.705 1.00 0.00 H new ATOM 0 HG22 VAL A 67 14.801 -6.295 -3.738 1.00 0.00 H new ATOM 0 HG23 VAL A 67 14.747 -6.371 -5.515 1.00 0.00 H new ATOM 1016 N LEU A 68 11.387 -4.731 -2.479 1.00 0.00 N ATOM 1017 CA LEU A 68 10.999 -5.006 -1.098 1.00 0.00 C ATOM 1018 C LEU A 68 12.116 -5.666 -0.295 1.00 0.00 C ATOM 1019 O LEU A 68 12.210 -6.889 -0.240 1.00 0.00 O ATOM 1020 CB LEU A 68 9.753 -5.896 -1.071 1.00 0.00 C ATOM 1021 CG LEU A 68 8.592 -5.418 -1.946 1.00 0.00 C ATOM 1022 CD1 LEU A 68 8.479 -6.268 -3.202 1.00 0.00 C ATOM 1023 CD2 LEU A 68 7.287 -5.442 -1.163 1.00 0.00 C ATOM 0 H LEU A 68 11.009 -3.860 -2.851 1.00 0.00 H new ATOM 0 HA LEU A 68 10.785 -4.045 -0.630 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.036 -6.900 -1.387 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.403 -5.973 -0.041 1.00 0.00 H new ATOM 0 HG LEU A 68 8.793 -4.390 -2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.647 -5.911 -3.809 1.00 0.00 H new ATOM 0 HD12 LEU A 68 9.404 -6.196 -3.775 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.305 -7.307 -2.924 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.473 -5.099 -1.802 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.082 -6.459 -0.829 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.370 -4.785 -0.297 1.00 0.00 H new ATOM 1035 N THR A 69 12.948 -4.854 0.345 1.00 0.00 N ATOM 1036 CA THR A 69 14.035 -5.383 1.157 1.00 0.00 C ATOM 1037 C THR A 69 13.471 -6.106 2.375 1.00 0.00 C ATOM 1038 O THR A 69 12.258 -6.277 2.494 1.00 0.00 O ATOM 1039 CB THR A 69 14.975 -4.261 1.598 1.00 0.00 C ATOM 1040 OG1 THR A 69 14.343 -3.421 2.547 1.00 0.00 O ATOM 1041 CG2 THR A 69 15.445 -3.390 0.453 1.00 0.00 C ATOM 0 H THR A 69 12.892 -3.836 0.318 1.00 0.00 H new ATOM 0 HA THR A 69 14.605 -6.091 0.555 1.00 0.00 H new ATOM 0 HB THR A 69 15.841 -4.762 2.030 1.00 0.00 H new ATOM 0 HG1 THR A 69 14.817 -3.480 3.403 1.00 0.00 H new ATOM 0 HG21 THR A 69 16.108 -2.614 0.835 1.00 0.00 H new ATOM 0 HG22 THR A 69 15.981 -4.001 -0.273 1.00 0.00 H new ATOM 0 HG23 THR A 69 14.584 -2.927 -0.029 1.00 0.00 H new ATOM 1049 N GLN A 70 14.348 -6.532 3.280 1.00 0.00 N ATOM 1050 CA GLN A 70 13.907 -7.237 4.485 1.00 0.00 C ATOM 1051 C GLN A 70 12.781 -6.472 5.178 1.00 0.00 C ATOM 1052 O GLN A 70 11.907 -7.067 5.813 1.00 0.00 O ATOM 1053 CB GLN A 70 15.071 -7.466 5.466 1.00 0.00 C ATOM 1054 CG GLN A 70 16.236 -6.496 5.315 1.00 0.00 C ATOM 1055 CD GLN A 70 15.803 -5.045 5.346 1.00 0.00 C ATOM 1056 OE1 GLN A 70 16.289 -4.264 4.389 1.00 0.00 O flip ATOM 1057 NE2 GLN A 70 15.043 -4.629 6.221 1.00 0.00 N flip ATOM 0 H GLN A 70 15.357 -6.405 3.206 1.00 0.00 H new ATOM 0 HA GLN A 70 13.533 -8.212 4.172 1.00 0.00 H new ATOM 0 HB2 GLN A 70 14.688 -7.396 6.484 1.00 0.00 H new ATOM 0 HB3 GLN A 70 15.443 -8.482 5.335 1.00 0.00 H new ATOM 0 HG2 GLN A 70 16.955 -6.672 6.115 1.00 0.00 H new ATOM 0 HG3 GLN A 70 16.750 -6.697 4.375 1.00 0.00 H new ATOM 0 HE21 GLN A 70 14.693 -5.265 6.938 1.00 0.00 H new ATOM 0 HE22 GLN A 70 14.763 -3.648 6.229 1.00 0.00 H new ATOM 1066 N GLU A 71 12.803 -5.149 5.042 1.00 0.00 N ATOM 1067 CA GLU A 71 11.784 -4.301 5.646 1.00 0.00 C ATOM 1068 C GLU A 71 10.419 -4.572 5.023 1.00 0.00 C ATOM 1069 O GLU A 71 9.505 -5.051 5.695 1.00 0.00 O ATOM 1070 CB GLU A 71 12.152 -2.823 5.481 1.00 0.00 C ATOM 1071 CG GLU A 71 12.271 -2.076 6.799 1.00 0.00 C ATOM 1072 CD GLU A 71 12.019 -0.588 6.651 1.00 0.00 C ATOM 1073 OE1 GLU A 71 12.485 -0.003 5.651 1.00 0.00 O ATOM 1074 OE2 GLU A 71 11.355 -0.007 7.536 1.00 0.00 O ATOM 0 H GLU A 71 13.517 -4.642 4.518 1.00 0.00 H new ATOM 0 HA GLU A 71 11.733 -4.535 6.709 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.098 -2.750 4.945 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.397 -2.336 4.863 1.00 0.00 H new ATOM 0 HG2 GLU A 71 11.560 -2.492 7.513 1.00 0.00 H new ATOM 0 HG3 GLU A 71 13.267 -2.233 7.212 1.00 0.00 H new ATOM 1081 N ASP A 72 10.288 -4.264 3.735 1.00 0.00 N ATOM 1082 CA ASP A 72 9.032 -4.474 3.022 1.00 0.00 C ATOM 1083 C ASP A 72 8.568 -5.924 3.147 1.00 0.00 C ATOM 1084 O ASP A 72 7.373 -6.195 3.240 1.00 0.00 O ATOM 1085 CB ASP A 72 9.182 -4.091 1.554 1.00 0.00 C ATOM 1086 CG ASP A 72 9.559 -2.635 1.374 1.00 0.00 C ATOM 1087 OD1 ASP A 72 10.529 -2.189 2.021 1.00 0.00 O ATOM 1088 OD2 ASP A 72 8.885 -1.940 0.587 1.00 0.00 O ATOM 0 H ASP A 72 11.036 -3.869 3.165 1.00 0.00 H new ATOM 0 HA ASP A 72 8.275 -3.834 3.475 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.943 -4.720 1.093 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.246 -4.289 1.032 1.00 0.00 H new ATOM 1093 N THR A 73 9.518 -6.855 3.170 1.00 0.00 N ATOM 1094 CA THR A 73 9.182 -8.268 3.313 1.00 0.00 C ATOM 1095 C THR A 73 8.430 -8.472 4.621 1.00 0.00 C ATOM 1096 O THR A 73 7.256 -8.862 4.628 1.00 0.00 O ATOM 1097 CB THR A 73 10.443 -9.130 3.287 1.00 0.00 C ATOM 1098 OG1 THR A 73 11.283 -8.758 2.209 1.00 0.00 O ATOM 1099 CG2 THR A 73 10.151 -10.609 3.153 1.00 0.00 C ATOM 0 H THR A 73 10.516 -6.660 3.092 1.00 0.00 H new ATOM 0 HA THR A 73 8.551 -8.571 2.477 1.00 0.00 H new ATOM 0 HB THR A 73 10.933 -8.957 4.245 1.00 0.00 H new ATOM 0 HG1 THR A 73 11.811 -7.972 2.462 1.00 0.00 H new ATOM 0 HG21 THR A 73 11.088 -11.165 3.141 1.00 0.00 H new ATOM 0 HG22 THR A 73 9.545 -10.938 3.997 1.00 0.00 H new ATOM 0 HG23 THR A 73 9.609 -10.790 2.225 1.00 0.00 H new ATOM 1107 N ALA A 74 9.100 -8.160 5.731 1.00 0.00 N ATOM 1108 CA ALA A 74 8.476 -8.264 7.042 1.00 0.00 C ATOM 1109 C ALA A 74 7.214 -7.409 7.067 1.00 0.00 C ATOM 1110 O ALA A 74 6.273 -7.674 7.813 1.00 0.00 O ATOM 1111 CB ALA A 74 9.444 -7.822 8.129 1.00 0.00 C ATOM 0 H ALA A 74 10.067 -7.836 5.745 1.00 0.00 H new ATOM 0 HA ALA A 74 8.209 -9.303 7.233 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.961 -7.906 9.103 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.330 -8.457 8.107 1.00 0.00 H new ATOM 0 HB3 ALA A 74 9.736 -6.786 7.957 1.00 0.00 H new ATOM 1117 N LYS A 75 7.219 -6.385 6.218 1.00 0.00 N ATOM 1118 CA LYS A 75 6.104 -5.459 6.081 1.00 0.00 C ATOM 1119 C LYS A 75 4.843 -6.185 5.603 1.00 0.00 C ATOM 1120 O LYS A 75 3.832 -6.223 6.308 1.00 0.00 O ATOM 1121 CB LYS A 75 6.500 -4.372 5.082 1.00 0.00 C ATOM 1122 CG LYS A 75 5.871 -3.016 5.327 1.00 0.00 C ATOM 1123 CD LYS A 75 6.716 -2.171 6.266 1.00 0.00 C ATOM 1124 CE LYS A 75 7.939 -1.609 5.561 1.00 0.00 C ATOM 1125 NZ LYS A 75 9.043 -1.313 6.515 1.00 0.00 N ATOM 0 H LYS A 75 8.004 -6.175 5.602 1.00 0.00 H new ATOM 0 HA LYS A 75 5.880 -5.015 7.051 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.584 -4.261 5.100 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.230 -4.705 4.080 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.748 -2.494 4.378 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.875 -3.147 5.750 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.114 -1.352 6.661 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.031 -2.775 7.117 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.287 -2.322 4.813 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.665 -0.698 5.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.515 -0.429 6.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.655 -1.210 7.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.731 -2.092 6.502 1.00 0.00 H new ATOM 1139 N LEU A 76 4.907 -6.764 4.401 1.00 0.00 N ATOM 1140 CA LEU A 76 3.764 -7.486 3.846 1.00 0.00 C ATOM 1141 C LEU A 76 3.359 -8.636 4.759 1.00 0.00 C ATOM 1142 O LEU A 76 2.184 -8.782 5.102 1.00 0.00 O ATOM 1143 CB LEU A 76 4.065 -8.018 2.443 1.00 0.00 C ATOM 1144 CG LEU A 76 3.810 -7.017 1.312 1.00 0.00 C ATOM 1145 CD1 LEU A 76 4.970 -7.004 0.329 1.00 0.00 C ATOM 1146 CD2 LEU A 76 2.507 -7.343 0.597 1.00 0.00 C ATOM 0 H LEU A 76 5.731 -6.746 3.800 1.00 0.00 H new ATOM 0 HA LEU A 76 2.937 -6.780 3.774 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.108 -8.332 2.404 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.458 -8.906 2.268 1.00 0.00 H new ATOM 0 HG LEU A 76 3.725 -6.022 1.750 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.766 -6.286 -0.465 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.885 -6.720 0.849 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.092 -7.997 -0.103 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.341 -6.622 -0.204 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.564 -8.347 0.176 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.681 -7.294 1.306 1.00 0.00 H new ATOM 1158 N LEU A 77 4.334 -9.452 5.162 1.00 0.00 N ATOM 1159 CA LEU A 77 4.042 -10.575 6.043 1.00 0.00 C ATOM 1160 C LEU A 77 3.468 -10.073 7.365 1.00 0.00 C ATOM 1161 O LEU A 77 2.666 -10.755 8.003 1.00 0.00 O ATOM 1162 CB LEU A 77 5.288 -11.442 6.274 1.00 0.00 C ATOM 1163 CG LEU A 77 6.291 -10.917 7.304 1.00 0.00 C ATOM 1164 CD1 LEU A 77 5.801 -11.182 8.720 1.00 0.00 C ATOM 1165 CD2 LEU A 77 7.652 -11.564 7.084 1.00 0.00 C ATOM 0 H LEU A 77 5.314 -9.357 4.897 1.00 0.00 H new ATOM 0 HA LEU A 77 3.295 -11.204 5.559 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.963 -12.434 6.587 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.805 -11.561 5.322 1.00 0.00 H new ATOM 0 HG LEU A 77 6.387 -9.839 7.175 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.530 -10.800 9.435 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.845 -10.681 8.874 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.676 -12.255 8.867 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.359 -11.184 7.822 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.562 -12.645 7.190 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.010 -11.326 6.082 1.00 0.00 H new ATOM 1177 N GLN A 78 3.866 -8.864 7.761 1.00 0.00 N ATOM 1178 CA GLN A 78 3.363 -8.270 8.993 1.00 0.00 C ATOM 1179 C GLN A 78 1.865 -8.037 8.871 1.00 0.00 C ATOM 1180 O GLN A 78 1.076 -8.544 9.671 1.00 0.00 O ATOM 1181 CB GLN A 78 4.078 -6.950 9.295 1.00 0.00 C ATOM 1182 CG GLN A 78 5.195 -7.085 10.317 1.00 0.00 C ATOM 1183 CD GLN A 78 4.987 -6.203 11.533 1.00 0.00 C ATOM 1184 OE1 GLN A 78 3.875 -5.749 11.803 1.00 0.00 O ATOM 1185 NE2 GLN A 78 6.061 -5.954 12.274 1.00 0.00 N ATOM 0 H GLN A 78 4.530 -8.283 7.249 1.00 0.00 H new ATOM 0 HA GLN A 78 3.558 -8.957 9.816 1.00 0.00 H new ATOM 0 HB2 GLN A 78 4.490 -6.549 8.369 1.00 0.00 H new ATOM 0 HB3 GLN A 78 3.349 -6.226 9.659 1.00 0.00 H new ATOM 0 HG2 GLN A 78 5.266 -8.125 10.636 1.00 0.00 H new ATOM 0 HG3 GLN A 78 6.145 -6.830 9.847 1.00 0.00 H new ATOM 0 HE21 GLN A 78 6.964 -6.351 12.013 1.00 0.00 H new ATOM 0 HE22 GLN A 78 5.983 -5.366 13.104 1.00 0.00 H new ATOM 1194 N SER A 79 1.477 -7.279 7.849 1.00 0.00 N ATOM 1195 CA SER A 79 0.070 -6.994 7.607 1.00 0.00 C ATOM 1196 C SER A 79 -0.704 -8.292 7.395 1.00 0.00 C ATOM 1197 O SER A 79 -1.895 -8.376 7.697 1.00 0.00 O ATOM 1198 CB SER A 79 -0.087 -6.084 6.386 1.00 0.00 C ATOM 1199 OG SER A 79 -0.933 -4.984 6.675 1.00 0.00 O ATOM 0 H SER A 79 2.117 -6.853 7.178 1.00 0.00 H new ATOM 0 HA SER A 79 -0.334 -6.482 8.480 1.00 0.00 H new ATOM 0 HB2 SER A 79 0.891 -5.721 6.071 1.00 0.00 H new ATOM 0 HB3 SER A 79 -0.499 -6.655 5.554 1.00 0.00 H new ATOM 0 HG SER A 79 -1.432 -4.734 5.869 1.00 0.00 H new ATOM 1205 N THR A 80 -0.014 -9.303 6.872 1.00 0.00 N ATOM 1206 CA THR A 80 -0.628 -10.601 6.617 1.00 0.00 C ATOM 1207 C THR A 80 -0.987 -11.306 7.920 1.00 0.00 C ATOM 1208 O THR A 80 -2.161 -11.536 8.212 1.00 0.00 O ATOM 1209 CB THR A 80 0.315 -11.480 5.796 1.00 0.00 C ATOM 1210 OG1 THR A 80 0.698 -10.824 4.600 1.00 0.00 O ATOM 1211 CG2 THR A 80 -0.289 -12.815 5.416 1.00 0.00 C ATOM 0 H THR A 80 0.972 -9.247 6.617 1.00 0.00 H new ATOM 0 HA THR A 80 -1.546 -10.432 6.054 1.00 0.00 H new ATOM 0 HB THR A 80 1.176 -11.660 6.440 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.479 -10.258 4.773 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.433 -13.389 4.835 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.549 -13.367 6.319 1.00 0.00 H new ATOM 0 HG23 THR A 80 -1.187 -12.652 4.820 1.00 0.00 H new ATOM 1219 N VAL A 81 0.033 -11.652 8.697 1.00 0.00 N ATOM 1220 CA VAL A 81 -0.171 -12.335 9.968 1.00 0.00 C ATOM 1221 C VAL A 81 -1.019 -11.493 10.919 1.00 0.00 C ATOM 1222 O VAL A 81 -1.658 -12.022 11.827 1.00 0.00 O ATOM 1223 CB VAL A 81 1.175 -12.666 10.644 1.00 0.00 C ATOM 1224 CG1 VAL A 81 1.953 -11.393 10.946 1.00 0.00 C ATOM 1225 CG2 VAL A 81 0.954 -13.480 11.911 1.00 0.00 C ATOM 0 H VAL A 81 1.010 -11.470 8.468 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.699 -13.264 9.750 1.00 0.00 H new ATOM 0 HB VAL A 81 1.766 -13.268 9.953 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.899 -11.649 11.423 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.148 -10.857 10.017 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.370 -10.760 11.615 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.916 -13.703 12.373 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.341 -12.909 12.608 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.447 -14.412 11.661 1.00 0.00 H new ATOM 1235 N LYS A 82 -1.011 -10.180 10.710 1.00 0.00 N ATOM 1236 CA LYS A 82 -1.770 -9.268 11.557 1.00 0.00 C ATOM 1237 C LYS A 82 -3.275 -9.501 11.437 1.00 0.00 C ATOM 1238 O LYS A 82 -3.922 -9.912 12.401 1.00 0.00 O ATOM 1239 CB LYS A 82 -1.435 -7.817 11.206 1.00 0.00 C ATOM 1240 CG LYS A 82 -0.525 -7.145 12.223 1.00 0.00 C ATOM 1241 CD LYS A 82 -0.130 -5.746 11.779 1.00 0.00 C ATOM 1242 CE LYS A 82 -0.915 -4.682 12.529 1.00 0.00 C ATOM 1243 NZ LYS A 82 -0.694 -4.755 14.000 1.00 0.00 N ATOM 0 H LYS A 82 -0.488 -9.725 9.962 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.485 -9.466 12.590 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -0.957 -7.789 10.227 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -2.361 -7.247 11.125 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.031 -7.093 13.187 1.00 0.00 H new ATOM 0 HG3 LYS A 82 0.371 -7.749 12.366 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.937 -5.598 11.946 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -0.303 -5.640 10.708 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -0.624 -3.696 12.168 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.978 -4.799 12.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -0.755 -3.800 14.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.420 -5.362 14.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 0.248 -5.153 14.190 1.00 0.00 H new ATOM 1257 N HIS A 83 -3.836 -9.220 10.263 1.00 0.00 N ATOM 1258 CA HIS A 83 -5.272 -9.388 10.053 1.00 0.00 C ATOM 1259 C HIS A 83 -5.582 -10.162 8.774 1.00 0.00 C ATOM 1260 O HIS A 83 -5.455 -9.630 7.672 1.00 0.00 O ATOM 1261 CB HIS A 83 -5.954 -8.020 10.003 1.00 0.00 C ATOM 1262 CG HIS A 83 -5.993 -7.324 11.326 1.00 0.00 C ATOM 1263 ND1 HIS A 83 -5.913 -5.954 11.459 1.00 0.00 N ATOM 1264 CD2 HIS A 83 -6.106 -7.815 12.583 1.00 0.00 C ATOM 1265 CE1 HIS A 83 -5.974 -5.633 12.739 1.00 0.00 C ATOM 1266 NE2 HIS A 83 -6.092 -6.744 13.442 1.00 0.00 N ATOM 0 H HIS A 83 -3.324 -8.878 9.450 1.00 0.00 H new ATOM 0 HA HIS A 83 -5.657 -9.968 10.892 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -5.432 -7.388 9.284 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -6.973 -8.144 9.637 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -6.191 -8.856 12.859 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -5.934 -4.632 13.142 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -6.161 -6.798 14.458 1.00 0.00 H new ATOM 1275 N ASN A 84 -6.010 -11.415 8.942 1.00 0.00 N ATOM 1276 CA ASN A 84 -6.371 -12.288 7.820 1.00 0.00 C ATOM 1277 C ASN A 84 -5.463 -12.074 6.605 1.00 0.00 C ATOM 1278 O ASN A 84 -4.432 -12.733 6.470 1.00 0.00 O ATOM 1279 CB ASN A 84 -7.837 -12.068 7.432 1.00 0.00 C ATOM 1280 CG ASN A 84 -8.765 -13.077 8.079 1.00 0.00 C ATOM 1281 OD1 ASN A 84 -9.361 -13.913 7.399 1.00 0.00 O ATOM 1282 ND2 ASN A 84 -8.895 -13.003 9.398 1.00 0.00 N ATOM 0 H ASN A 84 -6.116 -11.853 9.857 1.00 0.00 H new ATOM 0 HA ASN A 84 -6.233 -13.318 8.150 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -8.140 -11.062 7.723 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.936 -12.130 6.348 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -9.508 -13.655 9.887 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -8.382 -12.294 9.922 1.00 0.00 H new ATOM 1289 N LEU A 85 -5.851 -11.152 5.724 1.00 0.00 N ATOM 1290 CA LEU A 85 -5.073 -10.856 4.527 1.00 0.00 C ATOM 1291 C LEU A 85 -5.245 -11.962 3.477 1.00 0.00 C ATOM 1292 O LEU A 85 -6.351 -12.471 3.296 1.00 0.00 O ATOM 1293 CB LEU A 85 -3.597 -10.652 4.894 1.00 0.00 C ATOM 1294 CG LEU A 85 -2.909 -9.462 4.212 1.00 0.00 C ATOM 1295 CD1 LEU A 85 -3.231 -9.421 2.723 1.00 0.00 C ATOM 1296 CD2 LEU A 85 -3.317 -8.157 4.882 1.00 0.00 C ATOM 0 H LEU A 85 -6.702 -10.598 5.820 1.00 0.00 H new ATOM 0 HA LEU A 85 -5.443 -9.930 4.087 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.523 -10.523 5.974 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.049 -11.560 4.643 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.832 -9.588 4.320 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.730 -8.568 2.266 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.885 -10.340 2.251 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.308 -9.326 2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.820 -7.323 4.386 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.397 -8.032 4.808 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.026 -8.181 5.932 1.00 0.00 H new ATOM 1308 N ASN A 86 -4.160 -12.319 2.775 1.00 0.00 N ATOM 1309 CA ASN A 86 -4.200 -13.349 1.735 1.00 0.00 C ATOM 1310 C ASN A 86 -4.535 -12.722 0.387 1.00 0.00 C ATOM 1311 O ASN A 86 -5.236 -13.314 -0.435 1.00 0.00 O ATOM 1312 CB ASN A 86 -5.212 -14.451 2.070 1.00 0.00 C ATOM 1313 CG ASN A 86 -4.768 -15.813 1.574 1.00 0.00 C ATOM 1314 OD1 ASN A 86 -4.292 -15.951 0.447 1.00 0.00 O ATOM 1315 ND2 ASN A 86 -4.921 -16.828 2.416 1.00 0.00 N ATOM 0 H ASN A 86 -3.239 -11.904 2.913 1.00 0.00 H new ATOM 0 HA ASN A 86 -3.213 -13.808 1.684 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -5.358 -14.490 3.149 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -6.176 -14.202 1.626 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -4.639 -17.768 2.138 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -5.320 -16.668 3.341 1.00 0.00 H new ATOM 1322 N ASN A 87 -4.028 -11.512 0.178 1.00 0.00 N ATOM 1323 CA ASN A 87 -4.262 -10.775 -1.059 1.00 0.00 C ATOM 1324 C ASN A 87 -2.944 -10.428 -1.747 1.00 0.00 C ATOM 1325 O ASN A 87 -2.892 -10.235 -2.982 1.00 0.00 O ATOM 1326 CB ASN A 87 -5.043 -9.492 -0.752 1.00 0.00 C ATOM 1327 CG ASN A 87 -5.030 -8.483 -1.892 1.00 0.00 C ATOM 1328 OD1 ASN A 87 -3.892 -7.829 -2.101 1.00 0.00 O flip ATOM 1329 ND2 ASN A 87 -6.039 -8.283 -2.565 1.00 0.00 N flip ATOM 0 H ASN A 87 -3.448 -11.017 0.855 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.842 -11.405 -1.733 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -6.076 -9.752 -0.520 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -4.624 -9.026 0.140 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -6.893 -8.807 -2.372 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -6.022 -7.593 -3.316 1.00 0.00 H new ATOM 1336 N TYR A 88 -1.886 -10.313 -0.942 1.00 0.00 N ATOM 1337 CA TYR A 88 -0.591 -9.954 -1.465 1.00 0.00 C ATOM 1338 C TYR A 88 0.305 -11.167 -1.662 1.00 0.00 C ATOM 1339 O TYR A 88 0.533 -11.945 -0.736 1.00 0.00 O ATOM 1340 CB TYR A 88 0.065 -8.906 -0.571 1.00 0.00 C ATOM 1341 CG TYR A 88 -0.764 -7.645 -0.478 1.00 0.00 C ATOM 1342 CD1 TYR A 88 -0.702 -6.674 -1.469 1.00 0.00 C ATOM 1343 CD2 TYR A 88 -1.630 -7.441 0.586 1.00 0.00 C ATOM 1344 CE1 TYR A 88 -1.481 -5.534 -1.400 1.00 0.00 C ATOM 1345 CE2 TYR A 88 -2.409 -6.303 0.665 1.00 0.00 C ATOM 1346 CZ TYR A 88 -2.332 -5.354 -0.331 1.00 0.00 C ATOM 1347 OH TYR A 88 -3.114 -4.224 -0.259 1.00 0.00 O ATOM 0 H TYR A 88 -1.912 -10.465 0.066 1.00 0.00 H new ATOM 0 HA TYR A 88 -0.737 -9.520 -2.454 1.00 0.00 H new ATOM 0 HB2 TYR A 88 0.210 -9.320 0.427 1.00 0.00 H new ATOM 0 HB3 TYR A 88 1.053 -8.663 -0.962 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.035 -6.812 -2.307 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -1.696 -8.185 1.366 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.423 -4.789 -2.179 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -3.075 -6.158 1.503 1.00 0.00 H new ATOM 0 HH TYR A 88 -3.585 -4.097 -1.109 1.00 0.00 H new ATOM 1357 N ASP A 89 0.815 -11.319 -2.886 1.00 0.00 N ATOM 1358 CA ASP A 89 1.674 -12.411 -3.224 1.00 0.00 C ATOM 1359 C ASP A 89 3.102 -11.876 -3.307 1.00 0.00 C ATOM 1360 O ASP A 89 3.349 -10.776 -3.813 1.00 0.00 O ATOM 1361 CB ASP A 89 1.164 -13.011 -4.533 1.00 0.00 C ATOM 1362 CG ASP A 89 2.254 -13.601 -5.409 1.00 0.00 C ATOM 1363 OD1 ASP A 89 3.260 -14.094 -4.855 1.00 0.00 O ATOM 1364 OD2 ASP A 89 2.097 -13.580 -6.646 1.00 0.00 O ATOM 0 H ASP A 89 0.632 -10.678 -3.658 1.00 0.00 H new ATOM 0 HA ASP A 89 1.674 -13.207 -2.479 1.00 0.00 H new ATOM 0 HB2 ASP A 89 0.435 -13.789 -4.304 1.00 0.00 H new ATOM 0 HB3 ASP A 89 0.640 -12.238 -5.095 1.00 0.00 H new ATOM 1369 N LEU A 90 4.025 -12.621 -2.747 1.00 0.00 N ATOM 1370 CA LEU A 90 5.419 -12.176 -2.692 1.00 0.00 C ATOM 1371 C LEU A 90 6.416 -13.216 -3.195 1.00 0.00 C ATOM 1372 O LEU A 90 6.175 -14.421 -3.135 1.00 0.00 O ATOM 1373 CB LEU A 90 5.781 -11.813 -1.244 1.00 0.00 C ATOM 1374 CG LEU A 90 5.314 -10.435 -0.756 1.00 0.00 C ATOM 1375 CD1 LEU A 90 5.438 -10.339 0.759 1.00 0.00 C ATOM 1376 CD2 LEU A 90 6.119 -9.333 -1.430 1.00 0.00 C ATOM 0 H LEU A 90 3.850 -13.532 -2.323 1.00 0.00 H new ATOM 0 HA LEU A 90 5.491 -11.314 -3.355 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.359 -12.571 -0.585 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.865 -11.865 -1.138 1.00 0.00 H new ATOM 0 HG LEU A 90 4.265 -10.308 -1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.103 -9.356 1.090 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.821 -11.108 1.224 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.479 -10.484 1.049 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.776 -8.362 -1.073 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.175 -9.455 -1.190 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.983 -9.392 -2.510 1.00 0.00 H new ATOM 1388 N ARG A 91 7.566 -12.713 -3.647 1.00 0.00 N ATOM 1389 CA ARG A 91 8.665 -13.555 -4.122 1.00 0.00 C ATOM 1390 C ARG A 91 9.960 -13.071 -3.479 1.00 0.00 C ATOM 1391 O ARG A 91 10.006 -11.963 -2.983 1.00 0.00 O ATOM 1392 CB ARG A 91 8.780 -13.500 -5.646 1.00 0.00 C ATOM 1393 CG ARG A 91 7.925 -14.535 -6.357 1.00 0.00 C ATOM 1394 CD ARG A 91 6.445 -14.213 -6.227 1.00 0.00 C ATOM 1395 NE ARG A 91 5.716 -15.259 -5.516 1.00 0.00 N ATOM 1396 CZ ARG A 91 5.317 -16.398 -6.074 1.00 0.00 C ATOM 1397 NH1 ARG A 91 5.587 -16.651 -7.348 1.00 0.00 N ATOM 1398 NH2 ARG A 91 4.648 -17.289 -5.355 1.00 0.00 N ATOM 0 H ARG A 91 7.761 -11.713 -3.694 1.00 0.00 H new ATOM 0 HA ARG A 91 8.471 -14.591 -3.843 1.00 0.00 H new ATOM 0 HB2 ARG A 91 8.492 -12.506 -5.988 1.00 0.00 H new ATOM 0 HB3 ARG A 91 9.823 -13.645 -5.929 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.199 -14.574 -7.411 1.00 0.00 H new ATOM 0 HG3 ARG A 91 8.123 -15.522 -5.939 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.325 -13.266 -5.700 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.014 -14.082 -7.220 1.00 0.00 H new ATOM 0 HE ARG A 91 5.499 -15.107 -4.531 1.00 0.00 H new ATOM 0 HH11 ARG A 91 6.103 -15.970 -7.905 1.00 0.00 H new ATOM 0 HH12 ARG A 91 5.278 -17.527 -7.771 1.00 0.00 H new ATOM 0 HH21 ARG A 91 4.440 -17.100 -4.374 1.00 0.00 H new ATOM 0 HH22 ARG A 91 4.342 -18.163 -5.783 1.00 0.00 H new ATOM 1412 N SER A 92 11.002 -13.893 -3.470 1.00 0.00 N ATOM 1413 CA SER A 92 12.269 -13.501 -2.847 1.00 0.00 C ATOM 1414 C SER A 92 13.325 -13.116 -3.863 1.00 0.00 C ATOM 1415 O SER A 92 13.260 -13.478 -5.036 1.00 0.00 O ATOM 1416 CB SER A 92 12.801 -14.620 -1.956 1.00 0.00 C ATOM 1417 OG SER A 92 12.830 -15.857 -2.648 1.00 0.00 O ATOM 0 H SER A 92 11.000 -14.826 -3.881 1.00 0.00 H new ATOM 0 HA SER A 92 12.055 -12.619 -2.243 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.805 -14.369 -1.613 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.174 -14.711 -1.069 1.00 0.00 H new ATOM 0 HG SER A 92 13.176 -16.556 -2.055 1.00 0.00 H new ATOM 1423 N VAL A 93 14.290 -12.352 -3.366 1.00 0.00 N ATOM 1424 CA VAL A 93 15.393 -11.843 -4.133 1.00 0.00 C ATOM 1425 C VAL A 93 16.068 -10.758 -3.315 1.00 0.00 C ATOM 1426 O VAL A 93 15.452 -10.099 -2.486 1.00 0.00 O ATOM 1427 CB VAL A 93 14.966 -11.251 -5.497 1.00 0.00 C ATOM 1428 CG1 VAL A 93 15.056 -12.303 -6.594 1.00 0.00 C ATOM 1429 CG2 VAL A 93 13.566 -10.656 -5.425 1.00 0.00 C ATOM 0 H VAL A 93 14.317 -12.067 -2.387 1.00 0.00 H new ATOM 0 HA VAL A 93 16.063 -12.675 -4.347 1.00 0.00 H new ATOM 0 HB VAL A 93 15.656 -10.444 -5.743 1.00 0.00 H new ATOM 0 HG11 VAL A 93 14.751 -11.865 -7.544 1.00 0.00 H new ATOM 0 HG12 VAL A 93 16.083 -12.660 -6.672 1.00 0.00 H new ATOM 0 HG13 VAL A 93 14.399 -13.138 -6.352 1.00 0.00 H new ATOM 0 HG21 VAL A 93 13.294 -10.248 -6.398 1.00 0.00 H new ATOM 0 HG22 VAL A 93 12.854 -11.433 -5.145 1.00 0.00 H new ATOM 0 HG23 VAL A 93 13.546 -9.861 -4.680 1.00 0.00 H new ATOM 1439 N GLY A 94 17.331 -10.593 -3.524 1.00 0.00 N ATOM 1440 CA GLY A 94 18.060 -9.585 -2.782 1.00 0.00 C ATOM 1441 C GLY A 94 18.671 -10.119 -1.512 1.00 0.00 C ATOM 1442 O GLY A 94 18.966 -9.354 -0.595 1.00 0.00 O ATOM 0 H GLY A 94 17.886 -11.129 -4.191 1.00 0.00 H new ATOM 0 HA2 GLY A 94 18.848 -9.175 -3.414 1.00 0.00 H new ATOM 0 HA3 GLY A 94 17.387 -8.763 -2.538 1.00 0.00 H new ATOM 1446 N ASN A 95 18.832 -11.436 -1.432 1.00 0.00 N ATOM 1447 CA ASN A 95 19.375 -12.060 -0.233 1.00 0.00 C ATOM 1448 C ASN A 95 18.309 -12.039 0.859 1.00 0.00 C ATOM 1449 O ASN A 95 18.043 -13.049 1.510 1.00 0.00 O ATOM 1450 CB ASN A 95 20.661 -11.341 0.223 1.00 0.00 C ATOM 1451 CG ASN A 95 20.566 -10.751 1.621 1.00 0.00 C ATOM 1452 OD1 ASN A 95 20.870 -11.418 2.609 1.00 0.00 O ATOM 1453 ND2 ASN A 95 20.141 -9.495 1.709 1.00 0.00 N ATOM 0 H ASN A 95 18.595 -12.088 -2.180 1.00 0.00 H new ATOM 0 HA ASN A 95 19.645 -13.094 -0.447 1.00 0.00 H new ATOM 0 HB2 ASN A 95 21.492 -12.046 0.191 1.00 0.00 H new ATOM 0 HB3 ASN A 95 20.892 -10.544 -0.484 1.00 0.00 H new ATOM 0 HD21 ASN A 95 20.056 -9.048 2.622 1.00 0.00 H new ATOM 0 HD22 ASN A 95 19.899 -8.978 0.864 1.00 0.00 H new ATOM 1460 N GLY A 96 17.686 -10.875 1.028 1.00 0.00 N ATOM 1461 CA GLY A 96 16.640 -10.718 2.007 1.00 0.00 C ATOM 1462 C GLY A 96 15.518 -9.830 1.498 1.00 0.00 C ATOM 1463 O GLY A 96 14.684 -9.376 2.282 1.00 0.00 O ATOM 0 H GLY A 96 17.896 -10.032 0.494 1.00 0.00 H new ATOM 0 HA2 GLY A 96 16.238 -11.697 2.269 1.00 0.00 H new ATOM 0 HA3 GLY A 96 17.057 -10.290 2.919 1.00 0.00 H new ATOM 1467 N ASN A 97 15.477 -9.587 0.179 1.00 0.00 N ATOM 1468 CA ASN A 97 14.428 -8.761 -0.396 1.00 0.00 C ATOM 1469 C ASN A 97 13.424 -9.638 -1.129 1.00 0.00 C ATOM 1470 O ASN A 97 13.682 -10.815 -1.375 1.00 0.00 O ATOM 1471 CB ASN A 97 14.983 -7.683 -1.335 1.00 0.00 C ATOM 1472 CG ASN A 97 16.369 -7.198 -0.945 1.00 0.00 C ATOM 1473 OD1 ASN A 97 16.649 -7.166 0.354 1.00 0.00 O flip ATOM 1474 ND2 ASN A 97 17.177 -6.841 -1.803 1.00 0.00 N flip ATOM 0 H ASN A 97 16.153 -9.949 -0.494 1.00 0.00 H new ATOM 0 HA ASN A 97 13.931 -8.243 0.424 1.00 0.00 H new ATOM 0 HB2 ASN A 97 15.017 -8.078 -2.350 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.299 -6.834 -1.346 1.00 0.00 H new ATOM 0 HD21 ASN A 97 16.924 -6.881 -2.790 1.00 0.00 H new ATOM 0 HD22 ASN A 97 18.100 -6.506 -1.526 1.00 0.00 H new ATOM 1481 N SER A 98 12.279 -9.079 -1.471 1.00 0.00 N ATOM 1482 CA SER A 98 11.266 -9.840 -2.177 1.00 0.00 C ATOM 1483 C SER A 98 10.619 -8.999 -3.261 1.00 0.00 C ATOM 1484 O SER A 98 10.743 -7.780 -3.280 1.00 0.00 O ATOM 1485 CB SER A 98 10.209 -10.362 -1.202 1.00 0.00 C ATOM 1486 OG SER A 98 8.901 -10.247 -1.736 1.00 0.00 O ATOM 0 H SER A 98 12.028 -8.110 -1.274 1.00 0.00 H new ATOM 0 HA SER A 98 11.751 -10.694 -2.651 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.415 -11.406 -0.966 1.00 0.00 H new ATOM 0 HB3 SER A 98 10.270 -9.806 -0.267 1.00 0.00 H new ATOM 0 HG SER A 98 8.681 -11.059 -2.239 1.00 0.00 H new ATOM 1492 N VAL A 99 9.917 -9.661 -4.156 1.00 0.00 N ATOM 1493 CA VAL A 99 9.242 -8.980 -5.238 1.00 0.00 C ATOM 1494 C VAL A 99 7.756 -8.919 -4.942 1.00 0.00 C ATOM 1495 O VAL A 99 7.229 -9.778 -4.227 1.00 0.00 O ATOM 1496 CB VAL A 99 9.513 -9.701 -6.576 1.00 0.00 C ATOM 1497 CG1 VAL A 99 8.257 -10.357 -7.139 1.00 0.00 C ATOM 1498 CG2 VAL A 99 10.120 -8.739 -7.587 1.00 0.00 C ATOM 0 H VAL A 99 9.799 -10.674 -4.155 1.00 0.00 H new ATOM 0 HA VAL A 99 9.624 -7.963 -5.325 1.00 0.00 H new ATOM 0 HB VAL A 99 10.229 -10.499 -6.377 1.00 0.00 H new ATOM 0 HG11 VAL A 99 8.496 -10.852 -8.080 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.881 -11.092 -6.428 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.496 -9.596 -7.312 1.00 0.00 H new ATOM 0 HG21 VAL A 99 10.304 -9.264 -8.524 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.430 -7.914 -7.763 1.00 0.00 H new ATOM 0 HG23 VAL A 99 11.061 -8.349 -7.199 1.00 0.00 H new ATOM 1508 N LEU A 100 7.084 -7.903 -5.471 1.00 0.00 N ATOM 1509 CA LEU A 100 5.666 -7.748 -5.216 1.00 0.00 C ATOM 1510 C LEU A 100 4.814 -8.179 -6.391 1.00 0.00 C ATOM 1511 O LEU A 100 4.654 -7.454 -7.373 1.00 0.00 O ATOM 1512 CB LEU A 100 5.319 -6.317 -4.840 1.00 0.00 C ATOM 1513 CG LEU A 100 3.840 -5.946 -4.977 1.00 0.00 C ATOM 1514 CD1 LEU A 100 3.074 -6.434 -3.766 1.00 0.00 C ATOM 1515 CD2 LEU A 100 3.661 -4.447 -5.164 1.00 0.00 C ATOM 0 H LEU A 100 7.495 -7.187 -6.070 1.00 0.00 H new ATOM 0 HA LEU A 100 5.442 -8.404 -4.375 1.00 0.00 H new ATOM 0 HB2 LEU A 100 5.626 -6.145 -3.808 1.00 0.00 H new ATOM 0 HB3 LEU A 100 5.905 -5.642 -5.464 1.00 0.00 H new ATOM 0 HG LEU A 100 3.443 -6.434 -5.867 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.022 -6.167 -3.869 1.00 0.00 H new ATOM 0 HD12 LEU A 100 3.168 -7.517 -3.688 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.480 -5.969 -2.867 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.600 -4.216 -5.258 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.072 -3.921 -4.302 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.183 -4.128 -6.066 1.00 0.00 H new ATOM 1527 N VAL A 101 4.207 -9.333 -6.229 1.00 0.00 N ATOM 1528 CA VAL A 101 3.285 -9.862 -7.201 1.00 0.00 C ATOM 1529 C VAL A 101 1.998 -10.098 -6.433 1.00 0.00 C ATOM 1530 O VAL A 101 1.948 -10.903 -5.501 1.00 0.00 O ATOM 1531 CB VAL A 101 3.807 -11.158 -7.862 1.00 0.00 C ATOM 1532 CG1 VAL A 101 4.398 -12.094 -6.822 1.00 0.00 C ATOM 1533 CG2 VAL A 101 2.712 -11.847 -8.664 1.00 0.00 C ATOM 0 H VAL A 101 4.342 -9.932 -5.414 1.00 0.00 H new ATOM 0 HA VAL A 101 3.142 -9.171 -8.032 1.00 0.00 H new ATOM 0 HB VAL A 101 4.600 -10.884 -8.557 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.759 -12.999 -7.310 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.227 -11.599 -6.317 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.633 -12.356 -6.092 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.109 -12.755 -9.117 1.00 0.00 H new ATOM 0 HG22 VAL A 101 1.884 -12.103 -8.003 1.00 0.00 H new ATOM 0 HG23 VAL A 101 2.358 -11.176 -9.447 1.00 0.00 H new ATOM 1543 N SER A 102 0.985 -9.312 -6.701 1.00 0.00 N ATOM 1544 CA SER A 102 -0.198 -9.438 -5.895 1.00 0.00 C ATOM 1545 C SER A 102 -1.411 -8.748 -6.430 1.00 0.00 C ATOM 1546 O SER A 102 -1.326 -7.855 -7.269 1.00 0.00 O ATOM 1547 CB SER A 102 0.075 -8.840 -4.536 1.00 0.00 C ATOM 1548 OG SER A 102 -0.784 -9.409 -3.586 1.00 0.00 O ATOM 0 H SER A 102 0.954 -8.608 -7.438 1.00 0.00 H new ATOM 0 HA SER A 102 -0.415 -10.506 -5.874 1.00 0.00 H new ATOM 0 HB2 SER A 102 1.113 -9.016 -4.253 1.00 0.00 H new ATOM 0 HB3 SER A 102 -0.068 -7.760 -4.568 1.00 0.00 H new ATOM 0 HG SER A 102 -1.686 -9.044 -3.701 1.00 0.00 H new ATOM 1554 N LEU A 103 -2.540 -9.105 -5.825 1.00 0.00 N ATOM 1555 CA LEU A 103 -3.784 -8.454 -6.120 1.00 0.00 C ATOM 1556 C LEU A 103 -4.959 -9.184 -5.528 1.00 0.00 C ATOM 1557 O LEU A 103 -5.822 -8.565 -4.912 1.00 0.00 O ATOM 1558 CB LEU A 103 -3.999 -8.160 -7.612 1.00 0.00 C ATOM 1559 CG LEU A 103 -4.273 -6.679 -7.941 1.00 0.00 C ATOM 1560 CD1 LEU A 103 -5.756 -6.370 -7.827 1.00 0.00 C ATOM 1561 CD2 LEU A 103 -3.486 -5.751 -7.021 1.00 0.00 C ATOM 0 H LEU A 103 -2.605 -9.846 -5.127 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.714 -7.480 -5.635 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.116 -8.484 -8.164 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -4.836 -8.759 -7.970 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.948 -6.508 -8.967 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.928 -5.320 -8.063 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.313 -6.995 -8.525 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -6.093 -6.573 -6.810 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.702 -4.714 -7.279 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -3.774 -5.935 -5.986 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.419 -5.940 -7.140 1.00 0.00 H new ATOM 1573 N ARG A 104 -4.973 -10.495 -5.686 1.00 0.00 N ATOM 1574 CA ARG A 104 -6.041 -11.325 -5.130 1.00 0.00 C ATOM 1575 C ARG A 104 -7.238 -10.453 -4.749 1.00 0.00 C ATOM 1576 O ARG A 104 -7.371 -10.041 -3.599 1.00 0.00 O ATOM 1577 CB ARG A 104 -5.501 -12.047 -3.901 1.00 0.00 C ATOM 1578 CG ARG A 104 -5.064 -13.479 -4.162 1.00 0.00 C ATOM 1579 CD ARG A 104 -3.867 -13.540 -5.101 1.00 0.00 C ATOM 1580 NE ARG A 104 -2.712 -14.186 -4.480 1.00 0.00 N ATOM 1581 CZ ARG A 104 -2.605 -15.501 -4.306 1.00 0.00 C ATOM 1582 NH1 ARG A 104 -3.585 -16.310 -4.688 1.00 0.00 N ATOM 1583 NH2 ARG A 104 -1.514 -16.009 -3.748 1.00 0.00 N ATOM 0 H ARG A 104 -4.258 -11.014 -6.195 1.00 0.00 H new ATOM 0 HA ARG A 104 -6.372 -12.053 -5.870 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -4.653 -11.486 -3.507 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -6.269 -12.049 -3.128 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -4.810 -13.960 -3.217 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -5.893 -14.040 -4.593 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -4.143 -14.084 -6.005 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -3.595 -12.530 -5.407 1.00 0.00 H new ATOM 0 HE ARG A 104 -1.944 -13.595 -4.162 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -4.426 -15.925 -5.118 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -3.497 -17.317 -4.552 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -0.758 -15.392 -3.453 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -1.432 -17.017 -3.614 1.00 0.00 H new ATOM 1597 N SER A 105 -8.056 -10.118 -5.744 1.00 0.00 N ATOM 1598 CA SER A 105 -9.202 -9.222 -5.555 1.00 0.00 C ATOM 1599 C SER A 105 -8.715 -7.790 -5.702 1.00 0.00 C ATOM 1600 O SER A 105 -7.601 -7.566 -6.173 1.00 0.00 O ATOM 1601 CB SER A 105 -9.877 -9.417 -4.192 1.00 0.00 C ATOM 1602 OG SER A 105 -9.702 -10.738 -3.710 1.00 0.00 O ATOM 0 H SER A 105 -7.947 -10.456 -6.700 1.00 0.00 H new ATOM 0 HA SER A 105 -9.954 -9.454 -6.309 1.00 0.00 H new ATOM 0 HB2 SER A 105 -9.462 -8.709 -3.475 1.00 0.00 H new ATOM 0 HB3 SER A 105 -10.941 -9.198 -4.277 1.00 0.00 H new ATOM 0 HG SER A 105 -8.940 -10.763 -3.095 1.00 0.00 H new ATOM 1608 N ASP A 106 -9.520 -6.818 -5.302 1.00 0.00 N ATOM 1609 CA ASP A 106 -9.094 -5.430 -5.409 1.00 0.00 C ATOM 1610 C ASP A 106 -9.359 -4.685 -4.106 1.00 0.00 C ATOM 1611 O ASP A 106 -10.488 -4.292 -3.815 1.00 0.00 O ATOM 1612 CB ASP A 106 -9.824 -4.759 -6.575 1.00 0.00 C ATOM 1613 CG ASP A 106 -8.870 -4.178 -7.601 1.00 0.00 C ATOM 1614 OD1 ASP A 106 -8.245 -4.965 -8.343 1.00 0.00 O ATOM 1615 OD2 ASP A 106 -8.747 -2.936 -7.663 1.00 0.00 O ATOM 0 H ASP A 106 -10.451 -6.958 -4.909 1.00 0.00 H new ATOM 0 HA ASP A 106 -8.021 -5.400 -5.598 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -10.474 -5.487 -7.060 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -10.465 -3.966 -6.190 1.00 0.00 H new ATOM 1620 N GLN A 107 -8.300 -4.498 -3.325 1.00 0.00 N ATOM 1621 CA GLN A 107 -8.395 -3.802 -2.053 1.00 0.00 C ATOM 1622 C GLN A 107 -7.004 -3.500 -1.506 1.00 0.00 C ATOM 1623 O GLN A 107 -6.016 -4.079 -1.958 1.00 0.00 O ATOM 1624 CB GLN A 107 -9.196 -4.640 -1.066 1.00 0.00 C ATOM 1625 CG GLN A 107 -10.510 -3.998 -0.651 1.00 0.00 C ATOM 1626 CD GLN A 107 -11.387 -4.947 0.135 1.00 0.00 C ATOM 1627 OE1 GLN A 107 -12.484 -5.295 -0.293 1.00 0.00 O ATOM 1628 NE2 GLN A 107 -10.895 -5.385 1.286 1.00 0.00 N ATOM 0 H GLN A 107 -7.361 -4.823 -3.556 1.00 0.00 H new ATOM 0 HA GLN A 107 -8.910 -2.853 -2.203 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.401 -5.614 -1.511 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.591 -4.817 -0.177 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -10.306 -3.112 -0.049 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -11.045 -3.663 -1.539 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -9.978 -5.069 1.602 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -11.433 -6.038 1.855 1.00 0.00 H new ATOM 1637 N MET A 108 -6.925 -2.620 -0.515 1.00 0.00 N ATOM 1638 CA MET A 108 -5.640 -2.292 0.094 1.00 0.00 C ATOM 1639 C MET A 108 -5.789 -1.676 1.476 1.00 0.00 C ATOM 1640 O MET A 108 -6.690 -0.878 1.730 1.00 0.00 O ATOM 1641 CB MET A 108 -4.833 -1.339 -0.778 1.00 0.00 C ATOM 1642 CG MET A 108 -3.449 -1.070 -0.204 1.00 0.00 C ATOM 1643 SD MET A 108 -2.195 -0.859 -1.470 1.00 0.00 S ATOM 1644 CE MET A 108 -1.079 -2.194 -1.050 1.00 0.00 C ATOM 0 H MET A 108 -7.724 -2.125 -0.119 1.00 0.00 H new ATOM 0 HA MET A 108 -5.112 -3.241 0.189 1.00 0.00 H new ATOM 0 HB2 MET A 108 -4.734 -1.760 -1.779 1.00 0.00 H new ATOM 0 HB3 MET A 108 -5.372 -0.397 -0.880 1.00 0.00 H new ATOM 0 HG2 MET A 108 -3.486 -0.174 0.416 1.00 0.00 H new ATOM 0 HG3 MET A 108 -3.165 -1.896 0.447 1.00 0.00 H new ATOM 0 HE1 MET A 108 -0.068 -1.802 -0.939 1.00 0.00 H new ATOM 0 HE2 MET A 108 -1.396 -2.652 -0.113 1.00 0.00 H new ATOM 0 HE3 MET A 108 -1.093 -2.943 -1.842 1.00 0.00 H new ATOM 1654 N THR A 109 -4.857 -2.040 2.345 1.00 0.00 N ATOM 1655 CA THR A 109 -4.805 -1.532 3.707 1.00 0.00 C ATOM 1656 C THR A 109 -3.683 -0.494 3.811 1.00 0.00 C ATOM 1657 O THR A 109 -2.835 -0.406 2.922 1.00 0.00 O ATOM 1658 CB THR A 109 -4.557 -2.685 4.688 1.00 0.00 C ATOM 1659 OG1 THR A 109 -4.881 -3.927 4.090 1.00 0.00 O ATOM 1660 CG2 THR A 109 -5.356 -2.580 5.969 1.00 0.00 C ATOM 0 H THR A 109 -4.112 -2.700 2.123 1.00 0.00 H new ATOM 0 HA THR A 109 -5.756 -1.063 3.961 1.00 0.00 H new ATOM 0 HB THR A 109 -3.498 -2.620 4.936 1.00 0.00 H new ATOM 0 HG1 THR A 109 -4.116 -4.535 4.164 1.00 0.00 H new ATOM 0 HG21 THR A 109 -5.127 -3.430 6.611 1.00 0.00 H new ATOM 0 HG22 THR A 109 -5.097 -1.655 6.485 1.00 0.00 H new ATOM 0 HG23 THR A 109 -6.421 -2.578 5.735 1.00 0.00 H new ATOM 1668 N LEU A 110 -3.681 0.299 4.879 1.00 0.00 N ATOM 1669 CA LEU A 110 -2.659 1.327 5.057 1.00 0.00 C ATOM 1670 C LEU A 110 -1.257 0.716 5.042 1.00 0.00 C ATOM 1671 O LEU A 110 -0.385 1.158 4.289 1.00 0.00 O ATOM 1672 CB LEU A 110 -2.903 2.104 6.358 1.00 0.00 C ATOM 1673 CG LEU A 110 -3.604 3.452 6.184 1.00 0.00 C ATOM 1674 CD1 LEU A 110 -4.285 3.872 7.479 1.00 0.00 C ATOM 1675 CD2 LEU A 110 -2.609 4.512 5.732 1.00 0.00 C ATOM 0 H LEU A 110 -4.370 0.251 5.629 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.727 2.024 4.222 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.500 1.484 7.027 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.944 2.271 6.849 1.00 0.00 H new ATOM 0 HG LEU A 110 -4.369 3.348 5.415 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -4.778 4.833 7.336 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -5.025 3.123 7.760 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -3.540 3.961 8.270 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -3.123 5.466 5.612 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -1.822 4.615 6.479 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -2.169 4.215 4.780 1.00 0.00 H new ATOM 1687 N GLN A 111 -1.045 -0.311 5.865 1.00 0.00 N ATOM 1688 CA GLN A 111 0.252 -0.984 5.927 1.00 0.00 C ATOM 1689 C GLN A 111 0.679 -1.458 4.536 1.00 0.00 C ATOM 1690 O GLN A 111 1.707 -1.029 4.015 1.00 0.00 O ATOM 1691 CB GLN A 111 0.194 -2.170 6.903 1.00 0.00 C ATOM 1692 CG GLN A 111 1.361 -3.147 6.779 1.00 0.00 C ATOM 1693 CD GLN A 111 2.637 -2.634 7.420 1.00 0.00 C ATOM 1694 OE1 GLN A 111 3.177 -1.544 6.888 1.00 0.00 O flip ATOM 1695 NE2 GLN A 111 3.133 -3.214 8.385 1.00 0.00 N flip ATOM 0 H GLN A 111 -1.751 -0.693 6.495 1.00 0.00 H new ATOM 0 HA GLN A 111 0.993 -0.271 6.290 1.00 0.00 H new ATOM 0 HB2 GLN A 111 0.165 -1.785 7.922 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -0.737 -2.713 6.741 1.00 0.00 H new ATOM 0 HG2 GLN A 111 1.085 -4.095 7.241 1.00 0.00 H new ATOM 0 HG3 GLN A 111 1.547 -3.349 5.724 1.00 0.00 H new ATOM 0 HE21 GLN A 111 2.686 -4.049 8.763 1.00 0.00 H new ATOM 0 HE22 GLN A 111 3.992 -2.860 8.807 1.00 0.00 H new ATOM 1704 N ASP A 112 -0.122 -2.344 3.943 1.00 0.00 N ATOM 1705 CA ASP A 112 0.165 -2.880 2.611 1.00 0.00 C ATOM 1706 C ASP A 112 0.607 -1.778 1.654 1.00 0.00 C ATOM 1707 O ASP A 112 1.676 -1.862 1.031 1.00 0.00 O ATOM 1708 CB ASP A 112 -1.068 -3.591 2.060 1.00 0.00 C ATOM 1709 CG ASP A 112 -1.587 -4.652 3.011 1.00 0.00 C ATOM 1710 OD1 ASP A 112 -1.070 -5.788 2.973 1.00 0.00 O ATOM 1711 OD2 ASP A 112 -2.505 -4.344 3.798 1.00 0.00 O ATOM 0 H ASP A 112 -0.977 -2.707 4.365 1.00 0.00 H new ATOM 0 HA ASP A 112 0.984 -3.594 2.701 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -1.853 -2.859 1.870 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -0.823 -4.051 1.103 1.00 0.00 H new ATOM 1716 N ALA A 113 -0.213 -0.738 1.551 1.00 0.00 N ATOM 1717 CA ALA A 113 0.096 0.386 0.686 1.00 0.00 C ATOM 1718 C ALA A 113 1.516 0.877 0.948 1.00 0.00 C ATOM 1719 O ALA A 113 2.365 0.860 0.061 1.00 0.00 O ATOM 1720 CB ALA A 113 -0.905 1.511 0.899 1.00 0.00 C ATOM 0 H ALA A 113 -1.095 -0.653 2.057 1.00 0.00 H new ATOM 0 HA ALA A 113 0.027 0.058 -0.351 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -0.659 2.346 0.243 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -1.909 1.153 0.670 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -0.866 1.841 1.937 1.00 0.00 H new ATOM 1726 N LYS A 114 1.767 1.300 2.185 1.00 0.00 N ATOM 1727 CA LYS A 114 3.086 1.786 2.578 1.00 0.00 C ATOM 1728 C LYS A 114 4.175 0.764 2.258 1.00 0.00 C ATOM 1729 O LYS A 114 5.315 1.126 1.962 1.00 0.00 O ATOM 1730 CB LYS A 114 3.111 2.103 4.083 1.00 0.00 C ATOM 1731 CG LYS A 114 3.829 1.049 4.928 1.00 0.00 C ATOM 1732 CD LYS A 114 3.542 1.207 6.416 1.00 0.00 C ATOM 1733 CE LYS A 114 3.653 2.653 6.847 1.00 0.00 C ATOM 1734 NZ LYS A 114 4.979 3.230 6.498 1.00 0.00 N ATOM 0 H LYS A 114 1.073 1.316 2.932 1.00 0.00 H new ATOM 0 HA LYS A 114 3.285 2.694 2.008 1.00 0.00 H new ATOM 0 HB2 LYS A 114 3.597 3.067 4.233 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.086 2.204 4.440 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.520 0.055 4.604 1.00 0.00 H new ATOM 0 HG3 LYS A 114 4.903 1.120 4.758 1.00 0.00 H new ATOM 0 HD2 LYS A 114 2.541 0.835 6.637 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.242 0.600 6.990 1.00 0.00 H new ATOM 0 HE2 LYS A 114 2.865 3.236 6.370 1.00 0.00 H new ATOM 0 HE3 LYS A 114 3.496 2.725 7.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 4.989 4.243 6.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 5.722 2.743 7.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 5.154 3.107 5.480 1.00 0.00 H new ATOM 1748 N VAL A 115 3.822 -0.512 2.341 1.00 0.00 N ATOM 1749 CA VAL A 115 4.779 -1.581 2.091 1.00 0.00 C ATOM 1750 C VAL A 115 5.314 -1.541 0.674 1.00 0.00 C ATOM 1751 O VAL A 115 6.510 -1.313 0.434 1.00 0.00 O ATOM 1752 CB VAL A 115 4.150 -2.966 2.323 1.00 0.00 C ATOM 1753 CG1 VAL A 115 5.187 -4.060 2.124 1.00 0.00 C ATOM 1754 CG2 VAL A 115 3.526 -3.055 3.705 1.00 0.00 C ATOM 0 H VAL A 115 2.883 -0.831 2.579 1.00 0.00 H new ATOM 0 HA VAL A 115 5.597 -1.421 2.794 1.00 0.00 H new ATOM 0 HB VAL A 115 3.356 -3.108 1.590 1.00 0.00 H new ATOM 0 HG11 VAL A 115 4.726 -5.033 2.292 1.00 0.00 H new ATOM 0 HG12 VAL A 115 5.575 -4.013 1.106 1.00 0.00 H new ATOM 0 HG13 VAL A 115 6.005 -3.919 2.831 1.00 0.00 H new ATOM 0 HG21 VAL A 115 3.088 -4.044 3.844 1.00 0.00 H new ATOM 0 HG22 VAL A 115 4.293 -2.888 4.462 1.00 0.00 H new ATOM 0 HG23 VAL A 115 2.749 -2.297 3.803 1.00 0.00 H new ATOM 1764 N LEU A 116 4.422 -1.775 -0.268 1.00 0.00 N ATOM 1765 CA LEU A 116 4.804 -1.789 -1.658 1.00 0.00 C ATOM 1766 C LEU A 116 5.303 -0.424 -2.079 1.00 0.00 C ATOM 1767 O LEU A 116 6.209 -0.317 -2.891 1.00 0.00 O ATOM 1768 CB LEU A 116 3.626 -2.225 -2.517 1.00 0.00 C ATOM 1769 CG LEU A 116 2.987 -3.564 -2.126 1.00 0.00 C ATOM 1770 CD1 LEU A 116 3.974 -4.452 -1.382 1.00 0.00 C ATOM 1771 CD2 LEU A 116 1.740 -3.333 -1.287 1.00 0.00 C ATOM 0 H LEU A 116 3.434 -1.957 -0.094 1.00 0.00 H new ATOM 0 HA LEU A 116 5.615 -2.504 -1.797 1.00 0.00 H new ATOM 0 HB2 LEU A 116 2.861 -1.450 -2.474 1.00 0.00 H new ATOM 0 HB3 LEU A 116 3.958 -2.289 -3.553 1.00 0.00 H new ATOM 0 HG LEU A 116 2.701 -4.079 -3.043 1.00 0.00 H new ATOM 0 HD11 LEU A 116 3.490 -5.393 -1.119 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.835 -4.652 -2.019 1.00 0.00 H new ATOM 0 HD13 LEU A 116 4.304 -3.948 -0.474 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.299 -4.293 -1.018 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.007 -2.790 -0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.019 -2.750 -1.860 1.00 0.00 H new ATOM 1783 N LEU A 117 4.716 0.614 -1.502 1.00 0.00 N ATOM 1784 CA LEU A 117 5.122 1.980 -1.804 1.00 0.00 C ATOM 1785 C LEU A 117 6.459 2.289 -1.169 1.00 0.00 C ATOM 1786 O LEU A 117 7.184 3.163 -1.631 1.00 0.00 O ATOM 1787 CB LEU A 117 4.071 2.977 -1.335 1.00 0.00 C ATOM 1788 CG LEU A 117 3.071 3.373 -2.407 1.00 0.00 C ATOM 1789 CD1 LEU A 117 1.787 2.574 -2.270 1.00 0.00 C ATOM 1790 CD2 LEU A 117 2.775 4.858 -2.338 1.00 0.00 C ATOM 0 H LEU A 117 3.958 0.538 -0.823 1.00 0.00 H new ATOM 0 HA LEU A 117 5.220 2.071 -2.886 1.00 0.00 H new ATOM 0 HB2 LEU A 117 3.531 2.549 -0.490 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.573 3.874 -0.972 1.00 0.00 H new ATOM 0 HG LEU A 117 3.512 3.151 -3.379 1.00 0.00 H new ATOM 0 HD11 LEU A 117 1.086 2.875 -3.049 1.00 0.00 H new ATOM 0 HD12 LEU A 117 2.007 1.511 -2.371 1.00 0.00 H new ATOM 0 HD13 LEU A 117 1.345 2.761 -1.292 1.00 0.00 H new ATOM 0 HD21 LEU A 117 2.057 5.122 -3.114 1.00 0.00 H new ATOM 0 HD22 LEU A 117 2.359 5.101 -1.360 1.00 0.00 H new ATOM 0 HD23 LEU A 117 3.696 5.420 -2.490 1.00 0.00 H new ATOM 1802 N GLU A 118 6.808 1.535 -0.143 1.00 0.00 N ATOM 1803 CA GLU A 118 8.094 1.709 0.495 1.00 0.00 C ATOM 1804 C GLU A 118 9.123 1.212 -0.487 1.00 0.00 C ATOM 1805 O GLU A 118 10.117 1.882 -0.785 1.00 0.00 O ATOM 1806 CB GLU A 118 8.179 0.917 1.802 1.00 0.00 C ATOM 1807 CG GLU A 118 9.534 1.019 2.485 1.00 0.00 C ATOM 1808 CD GLU A 118 9.704 2.316 3.252 1.00 0.00 C ATOM 1809 OE1 GLU A 118 9.161 2.419 4.372 1.00 0.00 O ATOM 1810 OE2 GLU A 118 10.381 3.228 2.732 1.00 0.00 O ATOM 0 H GLU A 118 6.223 0.804 0.261 1.00 0.00 H new ATOM 0 HA GLU A 118 8.257 2.755 0.753 1.00 0.00 H new ATOM 0 HB2 GLU A 118 7.409 1.275 2.485 1.00 0.00 H new ATOM 0 HB3 GLU A 118 7.962 -0.131 1.597 1.00 0.00 H new ATOM 0 HG2 GLU A 118 9.657 0.178 3.168 1.00 0.00 H new ATOM 0 HG3 GLU A 118 10.321 0.938 1.736 1.00 0.00 H new ATOM 1817 N ALA A 119 8.829 0.038 -1.032 1.00 0.00 N ATOM 1818 CA ALA A 119 9.682 -0.568 -2.030 1.00 0.00 C ATOM 1819 C ALA A 119 9.525 0.148 -3.360 1.00 0.00 C ATOM 1820 O ALA A 119 10.424 0.126 -4.200 1.00 0.00 O ATOM 1821 CB ALA A 119 9.360 -2.044 -2.177 1.00 0.00 C ATOM 0 H ALA A 119 8.002 -0.510 -0.794 1.00 0.00 H new ATOM 0 HA ALA A 119 10.719 -0.474 -1.707 1.00 0.00 H new ATOM 0 HB1 ALA A 119 10.011 -2.485 -2.932 1.00 0.00 H new ATOM 0 HB2 ALA A 119 9.518 -2.548 -1.223 1.00 0.00 H new ATOM 0 HB3 ALA A 119 8.320 -2.161 -2.482 1.00 0.00 H new ATOM 1827 N ALA A 120 8.377 0.789 -3.540 1.00 0.00 N ATOM 1828 CA ALA A 120 8.095 1.516 -4.759 1.00 0.00 C ATOM 1829 C ALA A 120 8.829 2.843 -4.767 1.00 0.00 C ATOM 1830 O ALA A 120 9.523 3.175 -5.724 1.00 0.00 O ATOM 1831 CB ALA A 120 6.602 1.730 -4.927 1.00 0.00 C ATOM 0 H ALA A 120 7.626 0.817 -2.850 1.00 0.00 H new ATOM 0 HA ALA A 120 8.448 0.921 -5.601 1.00 0.00 H new ATOM 0 HB1 ALA A 120 6.415 2.279 -5.850 1.00 0.00 H new ATOM 0 HB2 ALA A 120 6.099 0.764 -4.970 1.00 0.00 H new ATOM 0 HB3 ALA A 120 6.219 2.301 -4.081 1.00 0.00 H new ATOM 1837 N LEU A 121 8.681 3.596 -3.687 1.00 0.00 N ATOM 1838 CA LEU A 121 9.343 4.879 -3.571 1.00 0.00 C ATOM 1839 C LEU A 121 10.858 4.681 -3.591 1.00 0.00 C ATOM 1840 O LEU A 121 11.590 5.474 -4.177 1.00 0.00 O ATOM 1841 CB LEU A 121 8.887 5.604 -2.294 1.00 0.00 C ATOM 1842 CG LEU A 121 9.951 5.857 -1.220 1.00 0.00 C ATOM 1843 CD1 LEU A 121 9.893 7.301 -0.744 1.00 0.00 C ATOM 1844 CD2 LEU A 121 9.743 4.904 -0.064 1.00 0.00 C ATOM 0 H LEU A 121 8.109 3.338 -2.883 1.00 0.00 H new ATOM 0 HA LEU A 121 9.069 5.505 -4.420 1.00 0.00 H new ATOM 0 HB2 LEU A 121 8.463 6.565 -2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 121 8.082 5.023 -1.843 1.00 0.00 H new ATOM 0 HG LEU A 121 10.938 5.682 -1.647 1.00 0.00 H new ATOM 0 HD11 LEU A 121 10.655 7.464 0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 121 10.074 7.969 -1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 121 8.909 7.506 -0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 121 10.501 5.086 0.698 1.00 0.00 H new ATOM 0 HD22 LEU A 121 8.753 5.061 0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 121 9.825 3.877 -0.420 1.00 0.00 H new ATOM 1856 N ARG A 122 11.316 3.614 -2.932 1.00 0.00 N ATOM 1857 CA ARG A 122 12.742 3.306 -2.859 1.00 0.00 C ATOM 1858 C ARG A 122 13.288 2.761 -4.183 1.00 0.00 C ATOM 1859 O ARG A 122 14.422 3.055 -4.557 1.00 0.00 O ATOM 1860 CB ARG A 122 13.002 2.311 -1.716 1.00 0.00 C ATOM 1861 CG ARG A 122 13.804 1.083 -2.117 1.00 0.00 C ATOM 1862 CD ARG A 122 13.630 -0.050 -1.122 1.00 0.00 C ATOM 1863 NE ARG A 122 14.034 0.337 0.227 1.00 0.00 N ATOM 1864 CZ ARG A 122 13.672 -0.321 1.326 1.00 0.00 C ATOM 1865 NH1 ARG A 122 12.898 -1.395 1.239 1.00 0.00 N ATOM 1866 NH2 ARG A 122 14.085 0.096 2.515 1.00 0.00 N ATOM 0 H ARG A 122 10.717 2.950 -2.442 1.00 0.00 H new ATOM 0 HA ARG A 122 13.272 4.237 -2.658 1.00 0.00 H new ATOM 0 HB2 ARG A 122 13.530 2.828 -0.915 1.00 0.00 H new ATOM 0 HB3 ARG A 122 12.044 1.987 -1.309 1.00 0.00 H new ATOM 0 HG2 ARG A 122 13.490 0.750 -3.106 1.00 0.00 H new ATOM 0 HG3 ARG A 122 14.860 1.345 -2.189 1.00 0.00 H new ATOM 0 HD2 ARG A 122 12.587 -0.365 -1.111 1.00 0.00 H new ATOM 0 HD3 ARG A 122 14.219 -0.909 -1.444 1.00 0.00 H new ATOM 0 HE ARG A 122 14.628 1.159 0.333 1.00 0.00 H new ATOM 0 HH11 ARG A 122 12.577 -1.720 0.327 1.00 0.00 H new ATOM 0 HH12 ARG A 122 12.623 -1.896 2.084 1.00 0.00 H new ATOM 0 HH21 ARG A 122 14.680 0.921 2.588 1.00 0.00 H new ATOM 0 HH22 ARG A 122 13.807 -0.408 3.357 1.00 0.00 H new ATOM 1880 N GLN A 123 12.499 1.938 -4.868 1.00 0.00 N ATOM 1881 CA GLN A 123 12.946 1.332 -6.121 1.00 0.00 C ATOM 1882 C GLN A 123 12.612 2.177 -7.349 1.00 0.00 C ATOM 1883 O GLN A 123 13.274 2.058 -8.380 1.00 0.00 O ATOM 1884 CB GLN A 123 12.341 -0.063 -6.278 1.00 0.00 C ATOM 1885 CG GLN A 123 12.861 -1.064 -5.261 1.00 0.00 C ATOM 1886 CD GLN A 123 14.369 -1.204 -5.306 1.00 0.00 C ATOM 1887 OE1 GLN A 123 15.068 -0.829 -4.365 1.00 0.00 O ATOM 1888 NE2 GLN A 123 14.880 -1.745 -6.406 1.00 0.00 N ATOM 0 H GLN A 123 11.556 1.676 -4.581 1.00 0.00 H new ATOM 0 HA GLN A 123 14.032 1.267 -6.063 1.00 0.00 H new ATOM 0 HB2 GLN A 123 11.257 0.007 -6.187 1.00 0.00 H new ATOM 0 HB3 GLN A 123 12.553 -0.432 -7.281 1.00 0.00 H new ATOM 0 HG2 GLN A 123 12.558 -0.753 -4.261 1.00 0.00 H new ATOM 0 HG3 GLN A 123 12.403 -2.036 -5.445 1.00 0.00 H new ATOM 0 HE21 GLN A 123 14.263 -2.042 -7.162 1.00 0.00 H new ATOM 0 HE22 GLN A 123 15.889 -1.863 -6.495 1.00 0.00 H new ATOM 1897 N GLU A 124 11.587 3.017 -7.254 1.00 0.00 N ATOM 1898 CA GLU A 124 11.199 3.845 -8.393 1.00 0.00 C ATOM 1899 C GLU A 124 12.022 5.125 -8.456 1.00 0.00 C ATOM 1900 O GLU A 124 12.818 5.321 -9.374 1.00 0.00 O ATOM 1901 CB GLU A 124 9.715 4.208 -8.307 1.00 0.00 C ATOM 1902 CG GLU A 124 8.787 3.005 -8.349 1.00 0.00 C ATOM 1903 CD GLU A 124 8.624 2.447 -9.749 1.00 0.00 C ATOM 1904 OE1 GLU A 124 7.913 3.078 -10.560 1.00 0.00 O ATOM 1905 OE2 GLU A 124 9.208 1.381 -10.035 1.00 0.00 O ATOM 0 H GLU A 124 11.018 3.143 -6.417 1.00 0.00 H new ATOM 0 HA GLU A 124 11.385 3.264 -9.296 1.00 0.00 H new ATOM 0 HB2 GLU A 124 9.538 4.760 -7.384 1.00 0.00 H new ATOM 0 HB3 GLU A 124 9.466 4.877 -9.131 1.00 0.00 H new ATOM 0 HG2 GLU A 124 9.177 2.226 -7.694 1.00 0.00 H new ATOM 0 HG3 GLU A 124 7.810 3.290 -7.959 1.00 0.00 H new ATOM 1912 N SER A 125 11.823 5.991 -7.474 1.00 0.00 N ATOM 1913 CA SER A 125 12.542 7.254 -7.413 1.00 0.00 C ATOM 1914 C SER A 125 13.754 7.159 -6.494 1.00 0.00 C ATOM 1915 O SER A 125 14.875 7.491 -6.881 1.00 0.00 O ATOM 1916 CB SER A 125 11.609 8.364 -6.931 1.00 0.00 C ATOM 1917 OG SER A 125 12.187 9.641 -7.134 1.00 0.00 O ATOM 0 H SER A 125 11.168 5.841 -6.707 1.00 0.00 H new ATOM 0 HA SER A 125 12.897 7.488 -8.417 1.00 0.00 H new ATOM 0 HB2 SER A 125 10.660 8.302 -7.464 1.00 0.00 H new ATOM 0 HB3 SER A 125 11.390 8.225 -5.872 1.00 0.00 H new ATOM 0 HG SER A 125 12.364 9.772 -8.089 1.00 0.00 H new ATOM 1923 N GLY A 126 13.503 6.731 -5.263 1.00 0.00 N ATOM 1924 CA GLY A 126 14.555 6.623 -4.272 1.00 0.00 C ATOM 1925 C GLY A 126 14.416 7.687 -3.227 1.00 0.00 C ATOM 1926 O GLY A 126 15.264 8.572 -3.113 1.00 0.00 O ATOM 0 H GLY A 126 12.579 6.454 -4.931 1.00 0.00 H new ATOM 0 HA2 GLY A 126 14.519 5.640 -3.803 1.00 0.00 H new ATOM 0 HA3 GLY A 126 15.527 6.709 -4.757 1.00 0.00 H new ATOM 1930 N ALA A 127 13.306 7.634 -2.490 1.00 0.00 N ATOM 1931 CA ALA A 127 13.028 8.644 -1.487 1.00 0.00 C ATOM 1932 C ALA A 127 13.219 10.008 -2.127 1.00 0.00 C ATOM 1933 O ALA A 127 13.584 10.983 -1.469 1.00 0.00 O ATOM 1934 CB ALA A 127 13.939 8.474 -0.280 1.00 0.00 C ATOM 0 H ALA A 127 12.595 6.907 -2.572 1.00 0.00 H new ATOM 0 HA ALA A 127 12.003 8.543 -1.129 1.00 0.00 H new ATOM 0 HB1 ALA A 127 13.712 9.243 0.459 1.00 0.00 H new ATOM 0 HB2 ALA A 127 13.780 7.490 0.160 1.00 0.00 H new ATOM 0 HB3 ALA A 127 14.979 8.568 -0.593 1.00 0.00 H new ATOM 1940 N ARG A 128 13.001 10.044 -3.444 1.00 0.00 N ATOM 1941 CA ARG A 128 13.178 11.252 -4.214 1.00 0.00 C ATOM 1942 C ARG A 128 11.839 11.895 -4.566 1.00 0.00 C ATOM 1943 O ARG A 128 11.587 13.054 -4.236 1.00 0.00 O ATOM 1944 CB ARG A 128 13.964 10.955 -5.493 1.00 0.00 C ATOM 1945 CG ARG A 128 15.441 11.310 -5.397 1.00 0.00 C ATOM 1946 CD ARG A 128 15.771 12.565 -6.192 1.00 0.00 C ATOM 1947 NE ARG A 128 16.567 13.514 -5.416 1.00 0.00 N ATOM 1948 CZ ARG A 128 16.054 14.356 -4.521 1.00 0.00 C ATOM 1949 NH1 ARG A 128 14.749 14.364 -4.278 1.00 0.00 N ATOM 1950 NH2 ARG A 128 16.848 15.191 -3.865 1.00 0.00 N ATOM 0 H ARG A 128 12.700 9.238 -3.992 1.00 0.00 H new ATOM 0 HA ARG A 128 13.739 11.956 -3.599 1.00 0.00 H new ATOM 0 HB2 ARG A 128 13.868 9.896 -5.730 1.00 0.00 H new ATOM 0 HB3 ARG A 128 13.519 11.508 -6.320 1.00 0.00 H new ATOM 0 HG2 ARG A 128 15.712 11.459 -4.352 1.00 0.00 H new ATOM 0 HG3 ARG A 128 16.040 10.477 -5.766 1.00 0.00 H new ATOM 0 HD2 ARG A 128 16.316 12.289 -7.095 1.00 0.00 H new ATOM 0 HD3 ARG A 128 14.846 13.045 -6.512 1.00 0.00 H new ATOM 0 HE ARG A 128 17.575 13.532 -5.569 1.00 0.00 H new ATOM 0 HH11 ARG A 128 14.133 13.723 -4.778 1.00 0.00 H new ATOM 0 HH12 ARG A 128 14.362 15.011 -3.591 1.00 0.00 H new ATOM 0 HH21 ARG A 128 17.852 15.188 -4.046 1.00 0.00 H new ATOM 0 HH22 ARG A 128 16.455 15.836 -3.179 1.00 0.00 H new ATOM 1964 N GLY A 129 10.989 11.133 -5.252 1.00 0.00 N ATOM 1965 CA GLY A 129 9.689 11.640 -5.655 1.00 0.00 C ATOM 1966 C GLY A 129 9.586 11.844 -7.154 1.00 0.00 C ATOM 1967 O GLY A 129 8.488 11.876 -7.710 1.00 0.00 O ATOM 0 H GLY A 129 11.179 10.172 -5.536 1.00 0.00 H new ATOM 0 HA2 GLY A 129 8.915 10.944 -5.332 1.00 0.00 H new ATOM 0 HA3 GLY A 129 9.498 12.586 -5.149 1.00 0.00 H new ATOM 1971 N SER A 130 10.734 11.981 -7.811 1.00 0.00 N ATOM 1972 CA SER A 130 10.772 12.182 -9.257 1.00 0.00 C ATOM 1973 C SER A 130 9.930 13.387 -9.667 1.00 0.00 C ATOM 1974 O SER A 130 9.453 14.108 -8.766 1.00 0.00 O ATOM 1975 CB SER A 130 10.274 10.929 -9.981 1.00 0.00 C ATOM 1976 OG SER A 130 8.858 10.879 -10.002 1.00 0.00 O ATOM 0 H SER A 130 11.651 11.957 -7.365 1.00 0.00 H new ATOM 0 HA SER A 130 11.807 12.373 -9.542 1.00 0.00 H new ATOM 0 HB2 SER A 130 10.656 10.919 -11.002 1.00 0.00 H new ATOM 0 HB3 SER A 130 10.665 10.040 -9.486 1.00 0.00 H new ATOM 0 HG SER A 130 8.517 10.877 -9.083 1.00 0.00 H new TER 1982 SER A 130 HETATM 1983 C ACE B 201 -5.156 15.717 -8.290 1.00 0.00 C HETATM 1984 O ACE B 201 -5.590 15.961 -7.164 1.00 0.00 O HETATM 1985 CH3 ACE B 201 -3.655 15.684 -8.557 1.00 0.00 C HETATM 0 H1 ACE B 201 -3.372 14.696 -8.920 1.00 0.00 H new HETATM 0 H2 ACE B 201 -3.402 16.433 -9.308 1.00 0.00 H new HETATM 0 H3 ACE B 201 -3.116 15.900 -7.634 1.00 0.00 H new ATOM 1989 N ASP B 202 -5.946 15.473 -9.331 1.00 0.00 N ATOM 1990 CA ASP B 202 -7.005 14.471 -9.271 1.00 0.00 C ATOM 1991 C ASP B 202 -8.029 14.822 -8.194 1.00 0.00 C ATOM 1992 O ASP B 202 -9.086 15.380 -8.489 1.00 0.00 O ATOM 1993 CB ASP B 202 -6.410 13.086 -9.003 1.00 0.00 C ATOM 1994 CG ASP B 202 -6.179 12.300 -10.280 1.00 0.00 C ATOM 1995 OD1 ASP B 202 -7.141 11.677 -10.776 1.00 0.00 O ATOM 1996 OD2 ASP B 202 -5.035 12.307 -10.782 1.00 0.00 O ATOM 0 H ASP B 202 -5.873 15.956 -10.227 1.00 0.00 H new ATOM 0 HA ASP B 202 -7.515 14.457 -10.234 1.00 0.00 H new ATOM 0 HB2 ASP B 202 -5.465 13.196 -8.471 1.00 0.00 H new ATOM 0 HB3 ASP B 202 -7.080 12.526 -8.351 1.00 0.00 H new ATOM 2001 N GLU B 203 -7.710 14.495 -6.944 1.00 0.00 N ATOM 2002 CA GLU B 203 -8.603 14.778 -5.826 1.00 0.00 C ATOM 2003 C GLU B 203 -7.806 15.107 -4.569 1.00 0.00 C ATOM 2004 O GLU B 203 -6.615 14.809 -4.481 1.00 0.00 O ATOM 2005 CB GLU B 203 -9.525 13.586 -5.562 1.00 0.00 C ATOM 2006 CG GLU B 203 -10.147 13.006 -6.822 1.00 0.00 C ATOM 2007 CD GLU B 203 -11.168 13.935 -7.449 1.00 0.00 C ATOM 2008 OE1 GLU B 203 -11.898 14.612 -6.694 1.00 0.00 O ATOM 2009 OE2 GLU B 203 -11.238 13.986 -8.695 1.00 0.00 O ATOM 0 H GLU B 203 -6.839 14.034 -6.681 1.00 0.00 H new ATOM 0 HA GLU B 203 -9.211 15.643 -6.090 1.00 0.00 H new ATOM 0 HB2 GLU B 203 -8.959 12.805 -5.054 1.00 0.00 H new ATOM 0 HB3 GLU B 203 -10.320 13.896 -4.884 1.00 0.00 H new ATOM 0 HG2 GLU B 203 -9.361 12.794 -7.547 1.00 0.00 H new ATOM 0 HG3 GLU B 203 -10.624 12.056 -6.583 1.00 0.00 H new HETATM 2016 N PTR B 204 -8.469 15.726 -3.597 1.00 0.00 N HETATM 2017 CA PTR B 204 -7.817 16.097 -2.346 1.00 0.00 C HETATM 2018 C PTR B 204 -6.620 17.010 -2.612 1.00 0.00 C HETATM 2019 O PTR B 204 -5.665 17.044 -1.836 1.00 0.00 O HETATM 2020 CB PTR B 204 -7.370 14.836 -1.599 1.00 0.00 C HETATM 2021 CG PTR B 204 -8.506 13.879 -1.286 1.00 0.00 C HETATM 2022 CD1 PTR B 204 -9.788 14.355 -1.031 1.00 0.00 C HETATM 2023 CD2 PTR B 204 -8.300 12.503 -1.244 1.00 0.00 C HETATM 2024 CE1 PTR B 204 -10.829 13.493 -0.745 1.00 0.00 C HETATM 2025 CE2 PTR B 204 -9.338 11.634 -0.958 1.00 0.00 C HETATM 2026 CZ PTR B 204 -10.601 12.133 -0.709 1.00 0.00 C HETATM 2027 OH PTR B 204 -11.635 11.265 -0.422 1.00 0.00 O HETATM 2028 P PTR B 204 -13.039 11.542 -1.051 1.00 0.00 P HETATM 2029 O1P PTR B 204 -13.648 12.668 -0.175 1.00 0.00 O HETATM 2030 O2P PTR B 204 -13.838 10.235 -0.818 1.00 0.00 O HETATM 2031 O3P PTR B 204 -12.960 11.920 -2.501 1.00 0.00 O HETATM 0 HE2 PTR B 204 -9.159 10.559 -0.929 1.00 0.00 H new HETATM 0 HE1 PTR B 204 -11.827 13.886 -0.549 1.00 0.00 H new HETATM 0 HD2 PTR B 204 -7.305 12.104 -1.440 1.00 0.00 H new HETATM 0 HD1 PTR B 204 -9.975 15.429 -1.057 1.00 0.00 H new HETATM 0 HB3 PTR B 204 -6.622 14.315 -2.197 1.00 0.00 H new HETATM 0 HB2 PTR B 204 -6.886 15.128 -0.667 1.00 0.00 H new HETATM 0 HA PTR B 204 -8.530 16.642 -1.728 1.00 0.00 H new ATOM 2040 N ASP B 205 -6.696 17.759 -3.710 1.00 0.00 N ATOM 2041 CA ASP B 205 -5.644 18.698 -4.099 1.00 0.00 C ATOM 2042 C ASP B 205 -4.240 18.098 -3.961 1.00 0.00 C ATOM 2043 O ASP B 205 -3.716 17.510 -4.907 1.00 0.00 O ATOM 2044 CB ASP B 205 -5.752 19.984 -3.274 1.00 0.00 C ATOM 2045 CG ASP B 205 -6.835 20.912 -3.787 1.00 0.00 C ATOM 2046 OD1 ASP B 205 -6.984 21.026 -5.022 1.00 0.00 O ATOM 2047 OD2 ASP B 205 -7.535 21.526 -2.955 1.00 0.00 O ATOM 0 H ASP B 205 -7.486 17.733 -4.354 1.00 0.00 H new ATOM 0 HA ASP B 205 -5.793 18.927 -5.154 1.00 0.00 H new ATOM 0 HB2 ASP B 205 -5.959 19.729 -2.235 1.00 0.00 H new ATOM 0 HB3 ASP B 205 -4.794 20.504 -3.290 1.00 0.00 H new ATOM 2052 N ASP B 206 -3.626 18.268 -2.789 1.00 0.00 N ATOM 2053 CA ASP B 206 -2.278 17.762 -2.552 1.00 0.00 C ATOM 2054 C ASP B 206 -2.279 16.591 -1.570 1.00 0.00 C ATOM 2055 O ASP B 206 -3.270 16.342 -0.884 1.00 0.00 O ATOM 2056 CB ASP B 206 -1.387 18.888 -2.020 1.00 0.00 C ATOM 2057 CG ASP B 206 -0.485 19.467 -3.093 1.00 0.00 C ATOM 2058 OD1 ASP B 206 -0.115 18.722 -4.024 1.00 0.00 O ATOM 2059 OD2 ASP B 206 -0.146 20.666 -2.999 1.00 0.00 O ATOM 0 H ASP B 206 -4.041 18.751 -1.993 1.00 0.00 H new ATOM 0 HA ASP B 206 -1.885 17.399 -3.502 1.00 0.00 H new ATOM 0 HB2 ASP B 206 -2.013 19.680 -1.609 1.00 0.00 H new ATOM 0 HB3 ASP B 206 -0.776 18.508 -1.201 1.00 0.00 H new ATOM 2064 N PRO B 207 -1.153 15.855 -1.492 1.00 0.00 N ATOM 2065 CA PRO B 207 -1.006 14.702 -0.594 1.00 0.00 C ATOM 2066 C PRO B 207 -1.353 15.036 0.856 1.00 0.00 C ATOM 2067 O PRO B 207 -1.443 16.205 1.230 1.00 0.00 O ATOM 2068 CB PRO B 207 0.483 14.330 -0.719 1.00 0.00 C ATOM 2069 CG PRO B 207 1.128 15.494 -1.389 1.00 0.00 C ATOM 2070 CD PRO B 207 0.071 16.083 -2.272 1.00 0.00 C ATOM 0 HA PRO B 207 -1.685 13.894 -0.866 1.00 0.00 H new ATOM 0 HB2 PRO B 207 0.925 14.146 0.260 1.00 0.00 H new ATOM 0 HB3 PRO B 207 0.612 13.419 -1.304 1.00 0.00 H new ATOM 0 HG2 PRO B 207 1.480 16.222 -0.658 1.00 0.00 H new ATOM 0 HG3 PRO B 207 1.996 15.181 -1.970 1.00 0.00 H new ATOM 0 HD2 PRO B 207 0.242 17.143 -2.459 1.00 0.00 H new ATOM 0 HD3 PRO B 207 0.032 15.590 -3.243 1.00 0.00 H new ATOM 2078 N PHE B 208 -1.548 13.995 1.664 1.00 0.00 N ATOM 2079 CA PHE B 208 -1.888 14.158 3.078 1.00 0.00 C ATOM 2080 C PHE B 208 -3.253 14.821 3.251 1.00 0.00 C ATOM 2081 O PHE B 208 -3.833 14.792 4.337 1.00 0.00 O ATOM 2082 CB PHE B 208 -0.821 14.982 3.799 1.00 0.00 C ATOM 2083 CG PHE B 208 0.509 14.293 3.900 1.00 0.00 C ATOM 2084 CD1 PHE B 208 1.442 14.408 2.880 1.00 0.00 C ATOM 2085 CD2 PHE B 208 0.834 13.540 5.020 1.00 0.00 C ATOM 2086 CE1 PHE B 208 2.671 13.785 2.973 1.00 0.00 C ATOM 2087 CE2 PHE B 208 2.062 12.918 5.116 1.00 0.00 C ATOM 2088 CZ PHE B 208 2.981 13.040 4.093 1.00 0.00 C ATOM 0 H PHE B 208 -1.476 13.024 1.362 1.00 0.00 H new ATOM 0 HA PHE B 208 -1.930 13.162 3.519 1.00 0.00 H new ATOM 0 HB2 PHE B 208 -0.691 15.929 3.275 1.00 0.00 H new ATOM 0 HB3 PHE B 208 -1.174 15.219 4.803 1.00 0.00 H new ATOM 0 HD1 PHE B 208 1.205 14.992 2.003 1.00 0.00 H new ATOM 0 HD2 PHE B 208 0.119 13.440 5.823 1.00 0.00 H new ATOM 0 HE1 PHE B 208 3.388 13.880 2.171 1.00 0.00 H new ATOM 0 HE2 PHE B 208 2.304 12.335 5.992 1.00 0.00 H new ATOM 0 HZ PHE B 208 3.942 12.553 4.169 1.00 0.00 H new HETATM 2098 N NH2 B 209 -3.765 15.422 2.183 1.00 0.00 N TER 2101 NH2 B 209