USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 877 hydrogens (5 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 LYS NZ :NH3+ 165:sc= -10.4! (180deg=-12.8!) USER MOD Set 1.2: A 82 TYR OH : rot 180:sc= -0.021 USER MOD Set 1.3: A 93 TYR OH : rot 60:sc= -7.3! USER MOD Set 1.4: A 94 HIS : no HE2:sc= -23.4! C(o=-41!,f=-47!) USER MOD Set 2.1: A 62 LYS NZ :NH3+ -121:sc= -1.44! (180deg=-0.276) USER MOD Set 2.2: A 64 TYR OH : rot 165:sc= -3.3! USER MOD Set 3.1: A 48 SER OG : rot 8:sc= -9.08! USER MOD Set 3.2: A 63 HIS : no HD1:sc= -6.5! C(o=-16!,f=-16!) USER MOD Set 4.1: A 39 SER OG : rot -170:sc= -0.601 USER MOD Set 4.2: A 44 THR OG1 : rot -67:sc= -6.4! USER MOD Set 4.3: A 46 THR OG1 : rot 58:sc= -1.45! USER MOD Set 4.4: A 65 HIS : no HE2:sc= -17.9! C(o=-26!,f=-34!) USER MOD Set 5.1: A 28 THR OG1 : rot -20:sc= -2.58! USER MOD Set 5.2: A 30 LYS NZ :NH3+ -149:sc= -8.35! (180deg=-7.63!) USER MOD Set 6.1: A 13 ASN :FLIP amide:sc= -13.1! C(o=-47!,f=-41!) USER MOD Set 6.2: A 35 MET CE :methyl -121:sc= -28.1! (180deg=-20!) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 ASN : amide:sc= -0.205 K(o=-0.2,f=-1.2) USER MOD Single : A 8 THR OG1 : rot 21:sc= 0.729! USER MOD Single : A 9 TYR OH : rot 150:sc= -3.68! USER MOD Single : A 12 TYR OH : rot 172:sc= -2.37! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= -0.0205 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -159:sc= -4.87! (180deg=-6.58!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -177:sc= -7.8! USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -133:sc= -8.36! USER MOD Single : A 52 LYS NZ :NH3+ 139:sc= -1.22 (180deg=-2.48!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -1.12 K(o=-1.1,f=-3.5!) USER MOD Single : A 60 CYS SG : rot 180:sc= -0.447 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -125:sc=-0.00667! USER MOD Single : A 70 ASN : amide:sc= -0.324 X(o=-0.32,f=-0.037) USER MOD Single : A 72 SER OG : rot -4:sc= -0.726 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot -48:sc= 0.858 USER MOD Single : A 77 TYR OH : rot 150:sc= -0.866! USER MOD Single : A 86 SER OG : rot 150:sc= -11.8! USER MOD Single : A 92 GLN :FLIP amide:sc= -3.02 F(o=-4!,f=-3) USER MOD Single : A 95 GLN : amide:sc= -1.22 X(o=-1.2,f=-1.1) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 THR OG1 : rot -1:sc= -8.39! USER MOD Single : A 107 TYR OH : rot -81:sc= 0.412 USER MOD Single : A 110 CYS SG : rot -47:sc= 0.54 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 3 -13.295 10.869 6.398 1.00 0.00 C HETATM 2 O ACE A 3 -13.653 9.826 6.944 1.00 0.00 O HETATM 3 CH3 ACE A 3 -14.018 12.166 6.661 1.00 0.00 C HETATM 0 H1 ACE A 3 -13.323 12.890 7.086 1.00 0.00 H new HETATM 0 H2 ACE A 3 -14.420 12.555 5.725 1.00 0.00 H new HETATM 0 H3 ACE A 3 -14.834 11.992 7.362 1.00 0.00 H new ATOM 7 N ASN A 4 -12.268 10.930 5.555 1.00 0.00 N ATOM 8 CA ASN A 4 -11.488 9.747 5.214 1.00 0.00 C ATOM 9 C ASN A 4 -9.993 10.035 5.310 1.00 0.00 C ATOM 10 O ASN A 4 -9.450 10.197 6.403 1.00 0.00 O ATOM 11 CB ASN A 4 -11.837 9.268 3.805 1.00 0.00 C ATOM 12 CG ASN A 4 -13.176 8.559 3.750 1.00 0.00 C ATOM 13 OD1 ASN A 4 -13.252 7.339 3.894 1.00 0.00 O ATOM 14 ND2 ASN A 4 -14.242 9.323 3.541 1.00 0.00 N ATOM 0 H ASN A 4 -11.958 11.786 5.096 1.00 0.00 H new ATOM 0 HA ASN A 4 -11.735 8.962 5.928 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -11.853 10.122 3.128 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -11.057 8.594 3.450 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -15.170 8.902 3.494 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -14.133 10.331 3.427 1.00 0.00 H new ATOM 21 N ASN A 5 -9.333 10.098 4.159 1.00 0.00 N ATOM 22 CA ASN A 5 -7.900 10.367 4.112 1.00 0.00 C ATOM 23 C ASN A 5 -7.132 9.384 4.988 1.00 0.00 C ATOM 24 O ASN A 5 -7.675 8.839 5.950 1.00 0.00 O ATOM 25 CB ASN A 5 -7.614 11.800 4.564 1.00 0.00 C ATOM 26 CG ASN A 5 -8.562 12.804 3.936 1.00 0.00 C ATOM 27 OD1 ASN A 5 -9.168 12.538 2.899 1.00 0.00 O ATOM 28 ND2 ASN A 5 -8.695 13.966 4.566 1.00 0.00 N ATOM 0 H ASN A 5 -9.767 9.966 3.246 1.00 0.00 H new ATOM 0 HA ASN A 5 -7.567 10.244 3.081 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -7.694 11.859 5.649 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -6.588 12.062 4.305 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -9.320 14.680 4.192 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.173 14.144 5.424 1.00 0.00 H new ATOM 35 N LEU A 6 -5.867 9.159 4.650 1.00 0.00 N ATOM 36 CA LEU A 6 -5.024 8.240 5.407 1.00 0.00 C ATOM 37 C LEU A 6 -3.688 8.876 5.737 1.00 0.00 C ATOM 38 O LEU A 6 -2.753 8.197 6.161 1.00 0.00 O ATOM 39 CB LEU A 6 -4.785 6.962 4.613 1.00 0.00 C ATOM 40 CG LEU A 6 -5.420 6.931 3.234 1.00 0.00 C ATOM 41 CD1 LEU A 6 -4.495 6.248 2.245 1.00 0.00 C ATOM 42 CD2 LEU A 6 -6.756 6.225 3.304 1.00 0.00 C ATOM 0 H LEU A 6 -5.402 9.600 3.856 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.544 8.002 6.335 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.710 6.816 4.504 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.164 6.118 5.190 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.585 7.952 2.890 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.962 6.233 1.260 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.553 6.794 2.191 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.304 5.226 2.572 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.209 6.204 2.313 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.610 5.204 3.657 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.413 6.757 3.992 1.00 0.00 H new ATOM 54 N GLU A 7 -3.595 10.179 5.528 1.00 0.00 N ATOM 55 CA GLU A 7 -2.359 10.903 5.795 1.00 0.00 C ATOM 56 C GLU A 7 -1.938 10.770 7.256 1.00 0.00 C ATOM 57 O GLU A 7 -1.455 11.726 7.863 1.00 0.00 O ATOM 58 CB GLU A 7 -2.516 12.381 5.426 1.00 0.00 C ATOM 59 CG GLU A 7 -3.963 12.836 5.341 1.00 0.00 C ATOM 60 CD GLU A 7 -4.093 14.338 5.185 1.00 0.00 C ATOM 61 OE1 GLU A 7 -3.049 15.021 5.128 1.00 0.00 O ATOM 62 OE2 GLU A 7 -5.238 14.832 5.117 1.00 0.00 O ATOM 0 H GLU A 7 -4.357 10.758 5.175 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.577 10.461 5.177 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -1.996 12.989 6.166 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -2.030 12.561 4.467 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -4.446 12.344 4.497 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.493 12.520 6.240 1.00 0.00 H new ATOM 69 N THR A 8 -2.116 9.577 7.811 1.00 0.00 N ATOM 70 CA THR A 8 -1.749 9.310 9.194 1.00 0.00 C ATOM 71 C THR A 8 -1.204 7.891 9.352 1.00 0.00 C ATOM 72 O THR A 8 -0.877 7.466 10.460 1.00 0.00 O ATOM 73 CB THR A 8 -2.955 9.510 10.111 1.00 0.00 C ATOM 74 OG1 THR A 8 -2.817 8.748 11.297 1.00 0.00 O ATOM 75 CG2 THR A 8 -4.269 9.121 9.467 1.00 0.00 C ATOM 0 H THR A 8 -2.514 8.776 7.320 1.00 0.00 H new ATOM 0 HA THR A 8 -0.965 10.013 9.476 1.00 0.00 H new ATOM 0 HB THR A 8 -2.977 10.578 10.328 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.872 8.533 11.439 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.083 9.288 10.172 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.431 9.727 8.576 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.240 8.067 9.189 1.00 0.00 H new ATOM 83 N TYR A 9 -1.113 7.157 8.242 1.00 0.00 N ATOM 84 CA TYR A 9 -0.612 5.790 8.276 1.00 0.00 C ATOM 85 C TYR A 9 0.861 5.732 7.912 1.00 0.00 C ATOM 86 O TYR A 9 1.285 6.269 6.889 1.00 0.00 O ATOM 87 CB TYR A 9 -1.424 4.909 7.333 1.00 0.00 C ATOM 88 CG TYR A 9 -2.891 4.955 7.663 1.00 0.00 C ATOM 89 CD1 TYR A 9 -3.398 4.205 8.712 1.00 0.00 C ATOM 90 CD2 TYR A 9 -3.763 5.771 6.951 1.00 0.00 C ATOM 91 CE1 TYR A 9 -4.732 4.258 9.046 1.00 0.00 C ATOM 92 CE2 TYR A 9 -5.103 5.831 7.283 1.00 0.00 C ATOM 93 CZ TYR A 9 -5.583 5.073 8.329 1.00 0.00 C ATOM 94 OH TYR A 9 -6.917 5.131 8.662 1.00 0.00 O ATOM 0 H TYR A 9 -1.379 7.488 7.315 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.720 5.417 9.295 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.271 5.237 6.305 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -1.068 3.881 7.396 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.735 3.568 9.278 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.389 6.364 6.130 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.111 3.665 9.865 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.772 6.470 6.725 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.271 6.018 8.443 1.00 0.00 H new ATOM 104 N GLU A 10 1.632 5.073 8.760 1.00 0.00 N ATOM 105 CA GLU A 10 3.059 4.932 8.539 1.00 0.00 C ATOM 106 C GLU A 10 3.355 4.636 7.076 1.00 0.00 C ATOM 107 O GLU A 10 4.482 4.816 6.619 1.00 0.00 O ATOM 108 CB GLU A 10 3.611 3.803 9.411 1.00 0.00 C ATOM 109 CG GLU A 10 4.682 2.972 8.723 1.00 0.00 C ATOM 110 CD GLU A 10 5.754 2.495 9.684 1.00 0.00 C ATOM 111 OE1 GLU A 10 5.592 1.399 10.258 1.00 0.00 O ATOM 112 OE2 GLU A 10 6.757 3.220 9.861 1.00 0.00 O ATOM 0 H GLU A 10 1.291 4.626 9.611 1.00 0.00 H new ATOM 0 HA GLU A 10 3.541 5.872 8.808 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.025 4.230 10.325 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.790 3.150 9.708 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.217 2.110 8.245 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.144 3.563 7.933 1.00 0.00 H new ATOM 119 N TRP A 11 2.352 4.142 6.355 1.00 0.00 N ATOM 120 CA TRP A 11 2.532 3.777 4.958 1.00 0.00 C ATOM 121 C TRP A 11 1.992 4.819 3.972 1.00 0.00 C ATOM 122 O TRP A 11 2.586 5.038 2.917 1.00 0.00 O ATOM 123 CB TRP A 11 1.817 2.462 4.720 1.00 0.00 C ATOM 124 CG TRP A 11 0.480 2.413 5.393 1.00 0.00 C ATOM 125 CD1 TRP A 11 0.164 1.852 6.601 1.00 0.00 C ATOM 126 CD2 TRP A 11 -0.729 2.957 4.879 1.00 0.00 C ATOM 127 NE1 TRP A 11 -1.183 2.008 6.851 1.00 0.00 N ATOM 128 CE2 TRP A 11 -1.751 2.687 5.806 1.00 0.00 C ATOM 129 CE3 TRP A 11 -1.040 3.645 3.714 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -3.069 3.088 5.592 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -2.341 4.042 3.500 1.00 0.00 C ATOM 132 CH2 TRP A 11 -3.343 3.762 4.435 1.00 0.00 C ATOM 0 H TRP A 11 1.411 3.987 6.716 1.00 0.00 H new ATOM 0 HA TRP A 11 3.605 3.706 4.777 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.688 2.310 3.648 1.00 0.00 H new ATOM 0 HB3 TRP A 11 2.436 1.643 5.086 1.00 0.00 H new ATOM 0 HD1 TRP A 11 0.865 1.361 7.260 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -1.676 1.673 7.679 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.273 3.866 2.986 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -3.844 2.874 6.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.592 4.578 2.596 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.355 4.085 4.238 1.00 0.00 H new ATOM 143 N TYR A 12 0.844 5.415 4.278 1.00 0.00 N ATOM 144 CA TYR A 12 0.230 6.376 3.362 1.00 0.00 C ATOM 145 C TYR A 12 1.108 7.581 3.060 1.00 0.00 C ATOM 146 O TYR A 12 1.763 8.145 3.936 1.00 0.00 O ATOM 147 CB TYR A 12 -1.122 6.865 3.876 1.00 0.00 C ATOM 148 CG TYR A 12 -1.843 7.748 2.876 1.00 0.00 C ATOM 149 CD1 TYR A 12 -2.015 7.342 1.556 1.00 0.00 C ATOM 150 CD2 TYR A 12 -2.348 8.989 3.246 1.00 0.00 C ATOM 151 CE1 TYR A 12 -2.667 8.144 0.639 1.00 0.00 C ATOM 152 CE2 TYR A 12 -3.001 9.796 2.334 1.00 0.00 C ATOM 153 CZ TYR A 12 -3.158 9.370 1.032 1.00 0.00 C ATOM 154 OH TYR A 12 -3.807 10.171 0.122 1.00 0.00 O ATOM 0 H TYR A 12 0.324 5.254 5.141 1.00 0.00 H new ATOM 0 HA TYR A 12 0.095 5.822 2.433 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.749 6.005 4.113 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.975 7.418 4.804 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -1.632 6.382 1.243 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -2.228 9.328 4.264 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.791 7.811 -0.381 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.387 10.757 2.640 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.202 10.939 0.585 1.00 0.00 H new ATOM 164 N ASN A 13 1.074 7.971 1.791 1.00 0.00 N ATOM 165 CA ASN A 13 1.809 9.114 1.285 1.00 0.00 C ATOM 166 C ASN A 13 1.022 9.723 0.130 1.00 0.00 C ATOM 167 O ASN A 13 1.092 9.243 -1.001 1.00 0.00 O ATOM 168 CB ASN A 13 3.189 8.676 0.817 1.00 0.00 C ATOM 169 CG ASN A 13 4.096 8.336 1.977 1.00 0.00 C ATOM 170 OD1 ASN A 13 3.884 7.166 2.559 1.00 0.00 O flip ATOM 171 ND2 ASN A 13 4.976 9.114 2.345 1.00 0.00 N flip ATOM 0 H ASN A 13 0.525 7.492 1.077 1.00 0.00 H new ATOM 0 HA ASN A 13 1.937 9.857 2.072 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.093 7.808 0.165 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.641 9.471 0.224 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.102 10.005 1.865 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.579 8.867 3.130 1.00 0.00 H new ATOM 178 N LYS A 14 0.244 10.756 0.429 1.00 0.00 N ATOM 179 CA LYS A 14 -0.586 11.399 -0.572 1.00 0.00 C ATOM 180 C LYS A 14 0.251 12.079 -1.650 1.00 0.00 C ATOM 181 O LYS A 14 0.315 11.614 -2.789 1.00 0.00 O ATOM 182 CB LYS A 14 -1.500 12.419 0.106 1.00 0.00 C ATOM 183 CG LYS A 14 -1.328 13.833 -0.410 1.00 0.00 C ATOM 184 CD LYS A 14 -2.615 14.633 -0.288 1.00 0.00 C ATOM 185 CE LYS A 14 -3.644 13.907 0.563 1.00 0.00 C ATOM 186 NZ LYS A 14 -4.794 14.784 0.916 1.00 0.00 N ATOM 0 H LYS A 14 0.173 11.165 1.361 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.185 10.631 -1.061 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.537 12.114 -0.036 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.308 12.408 1.179 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.535 14.331 0.148 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.014 13.805 -1.453 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.399 15.607 0.152 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.026 14.816 -1.281 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.007 13.032 0.025 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.170 13.546 1.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.472 14.250 1.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.451 15.607 1.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.263 15.109 0.046 1.00 0.00 H new ATOM 200 N SER A 15 0.880 13.187 -1.284 1.00 0.00 N ATOM 201 CA SER A 15 1.707 13.949 -2.218 1.00 0.00 C ATOM 202 C SER A 15 2.821 13.088 -2.804 1.00 0.00 C ATOM 203 O SER A 15 3.545 13.519 -3.703 1.00 0.00 O ATOM 204 CB SER A 15 2.308 15.169 -1.517 1.00 0.00 C ATOM 205 OG SER A 15 3.718 15.196 -1.661 1.00 0.00 O ATOM 0 H SER A 15 0.835 13.582 -0.345 1.00 0.00 H new ATOM 0 HA SER A 15 1.067 14.280 -3.036 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.879 16.080 -1.934 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.048 15.149 -0.459 1.00 0.00 H new ATOM 0 HG SER A 15 4.078 15.986 -1.206 1.00 0.00 H new ATOM 211 N ILE A 16 2.964 11.878 -2.280 1.00 0.00 N ATOM 212 CA ILE A 16 3.995 10.958 -2.729 1.00 0.00 C ATOM 213 C ILE A 16 3.860 10.575 -4.195 1.00 0.00 C ATOM 214 O ILE A 16 2.810 10.746 -4.814 1.00 0.00 O ATOM 215 CB ILE A 16 3.955 9.668 -1.907 1.00 0.00 C ATOM 216 CG1 ILE A 16 5.246 9.508 -1.128 1.00 0.00 C ATOM 217 CG2 ILE A 16 3.726 8.467 -2.811 1.00 0.00 C ATOM 218 CD1 ILE A 16 5.667 8.065 -0.976 1.00 0.00 C ATOM 0 H ILE A 16 2.371 11.510 -1.536 1.00 0.00 H new ATOM 0 HA ILE A 16 4.939 11.486 -2.595 1.00 0.00 H new ATOM 0 HB ILE A 16 3.126 9.728 -1.202 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.039 10.061 -1.631 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.125 9.952 -0.140 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.700 7.558 -2.209 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.777 8.582 -3.335 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.536 8.399 -3.537 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.597 8.015 -0.410 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.890 7.513 -0.447 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.818 7.624 -1.961 1.00 0.00 H new ATOM 230 N SER A 17 4.946 10.017 -4.720 1.00 0.00 N ATOM 231 CA SER A 17 5.003 9.549 -6.094 1.00 0.00 C ATOM 232 C SER A 17 5.444 8.089 -6.115 1.00 0.00 C ATOM 233 O SER A 17 5.609 7.471 -5.062 1.00 0.00 O ATOM 234 CB SER A 17 5.968 10.405 -6.912 1.00 0.00 C ATOM 235 OG SER A 17 5.496 10.585 -8.236 1.00 0.00 O ATOM 0 H SER A 17 5.812 9.878 -4.200 1.00 0.00 H new ATOM 0 HA SER A 17 4.012 9.633 -6.540 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.093 11.376 -6.432 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.949 9.931 -6.934 1.00 0.00 H new ATOM 0 HG SER A 17 6.131 11.138 -8.737 1.00 0.00 H new ATOM 241 N ARG A 18 5.641 7.539 -7.304 1.00 0.00 N ATOM 242 CA ARG A 18 6.069 6.150 -7.431 1.00 0.00 C ATOM 243 C ARG A 18 7.545 5.991 -7.068 1.00 0.00 C ATOM 244 O ARG A 18 7.944 4.989 -6.475 1.00 0.00 O ATOM 245 CB ARG A 18 5.824 5.646 -8.855 1.00 0.00 C ATOM 246 CG ARG A 18 5.952 6.729 -9.915 1.00 0.00 C ATOM 247 CD ARG A 18 6.770 6.250 -11.103 1.00 0.00 C ATOM 248 NE ARG A 18 5.924 5.792 -12.202 1.00 0.00 N ATOM 249 CZ ARG A 18 6.395 5.410 -13.384 1.00 0.00 C ATOM 250 NH1 ARG A 18 7.700 5.432 -13.619 1.00 0.00 N ATOM 251 NH2 ARG A 18 5.563 5.007 -14.333 1.00 0.00 N ATOM 0 H ARG A 18 5.513 8.028 -8.190 1.00 0.00 H new ATOM 0 HA ARG A 18 5.480 5.554 -6.734 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.533 4.848 -9.076 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.826 5.211 -8.911 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.960 7.029 -10.252 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.421 7.612 -9.480 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.411 7.060 -11.452 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.426 5.438 -10.788 1.00 0.00 H new ATOM 0 HE ARG A 18 4.915 5.764 -12.054 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.344 5.743 -12.892 1.00 0.00 H new ATOM 0 HH12 ARG A 18 8.060 5.138 -14.527 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.558 4.990 -14.157 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.927 4.714 -15.240 1.00 0.00 H new ATOM 265 N ASP A 19 8.353 6.978 -7.445 1.00 0.00 N ATOM 266 CA ASP A 19 9.790 6.943 -7.181 1.00 0.00 C ATOM 267 C ASP A 19 10.125 7.192 -5.707 1.00 0.00 C ATOM 268 O ASP A 19 10.947 6.485 -5.126 1.00 0.00 O ATOM 269 CB ASP A 19 10.508 7.975 -8.052 1.00 0.00 C ATOM 270 CG ASP A 19 11.861 7.485 -8.532 1.00 0.00 C ATOM 271 OD1 ASP A 19 11.894 6.552 -9.361 1.00 0.00 O ATOM 272 OD2 ASP A 19 12.887 8.036 -8.080 1.00 0.00 O ATOM 0 H ASP A 19 8.037 7.814 -7.936 1.00 0.00 H new ATOM 0 HA ASP A 19 10.134 5.939 -7.428 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.885 8.216 -8.914 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.638 8.897 -7.485 1.00 0.00 H new ATOM 277 N LYS A 20 9.506 8.210 -5.114 1.00 0.00 N ATOM 278 CA LYS A 20 9.771 8.551 -3.716 1.00 0.00 C ATOM 279 C LYS A 20 9.487 7.380 -2.783 1.00 0.00 C ATOM 280 O LYS A 20 10.328 7.013 -1.956 1.00 0.00 O ATOM 281 CB LYS A 20 8.937 9.760 -3.294 1.00 0.00 C ATOM 282 CG LYS A 20 8.988 10.908 -4.284 1.00 0.00 C ATOM 283 CD LYS A 20 7.698 11.007 -5.075 1.00 0.00 C ATOM 284 CE LYS A 20 6.792 12.098 -4.527 1.00 0.00 C ATOM 285 NZ LYS A 20 6.873 12.193 -3.043 1.00 0.00 N ATOM 0 H LYS A 20 8.822 8.810 -5.575 1.00 0.00 H new ATOM 0 HA LYS A 20 10.830 8.795 -3.638 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.900 9.449 -3.165 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.288 10.112 -2.324 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.164 11.843 -3.752 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.826 10.766 -4.966 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.926 11.213 -6.121 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.177 10.050 -5.045 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.069 13.056 -4.968 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.762 11.897 -4.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.022 12.667 -2.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.938 11.238 -2.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.716 12.741 -2.776 1.00 0.00 H new ATOM 299 N ALA A 21 8.299 6.796 -2.912 1.00 0.00 N ATOM 300 CA ALA A 21 7.922 5.674 -2.066 1.00 0.00 C ATOM 301 C ALA A 21 9.023 4.620 -2.063 1.00 0.00 C ATOM 302 O ALA A 21 9.509 4.214 -1.006 1.00 0.00 O ATOM 303 CB ALA A 21 6.592 5.087 -2.509 1.00 0.00 C ATOM 0 H ALA A 21 7.589 7.079 -3.588 1.00 0.00 H new ATOM 0 HA ALA A 21 7.797 6.034 -1.045 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.330 4.250 -1.862 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.817 5.851 -2.444 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.673 4.739 -3.539 1.00 0.00 H new ATOM 309 N GLU A 22 9.444 4.200 -3.248 1.00 0.00 N ATOM 310 CA GLU A 22 10.513 3.221 -3.348 1.00 0.00 C ATOM 311 C GLU A 22 11.734 3.745 -2.602 1.00 0.00 C ATOM 312 O GLU A 22 12.361 3.027 -1.816 1.00 0.00 O ATOM 313 CB GLU A 22 10.861 2.948 -4.812 1.00 0.00 C ATOM 314 CG GLU A 22 9.699 2.396 -5.621 1.00 0.00 C ATOM 315 CD GLU A 22 9.985 2.372 -7.109 1.00 0.00 C ATOM 316 OE1 GLU A 22 11.034 1.818 -7.504 1.00 0.00 O ATOM 317 OE2 GLU A 22 9.161 2.906 -7.882 1.00 0.00 O ATOM 0 H GLU A 22 9.067 4.517 -4.141 1.00 0.00 H new ATOM 0 HA GLU A 22 10.185 2.282 -2.902 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.207 3.873 -5.273 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.690 2.242 -4.854 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.473 1.385 -5.282 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.812 3.001 -5.435 1.00 0.00 H new ATOM 324 N LYS A 23 12.041 5.019 -2.834 1.00 0.00 N ATOM 325 CA LYS A 23 13.161 5.666 -2.171 1.00 0.00 C ATOM 326 C LYS A 23 12.985 5.568 -0.664 1.00 0.00 C ATOM 327 O LYS A 23 13.880 5.115 0.049 1.00 0.00 O ATOM 328 CB LYS A 23 13.265 7.132 -2.597 1.00 0.00 C ATOM 329 CG LYS A 23 12.911 8.113 -1.492 1.00 0.00 C ATOM 330 CD LYS A 23 13.501 9.489 -1.759 1.00 0.00 C ATOM 331 CE LYS A 23 12.665 10.587 -1.123 1.00 0.00 C ATOM 332 NZ LYS A 23 13.054 11.937 -1.614 1.00 0.00 N ATOM 0 H LYS A 23 11.527 5.621 -3.477 1.00 0.00 H new ATOM 0 HA LYS A 23 14.083 5.161 -2.460 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.281 7.332 -2.937 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.605 7.302 -3.448 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.827 8.191 -1.407 1.00 0.00 H new ATOM 0 HG3 LYS A 23 13.280 7.737 -0.538 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.518 9.532 -1.368 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.565 9.656 -2.834 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.611 10.412 -1.339 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.779 10.548 -0.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.460 12.657 -1.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 14.053 12.115 -1.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.921 11.983 -2.644 1.00 0.00 H new ATOM 346 N LEU A 24 11.811 5.977 -0.182 1.00 0.00 N ATOM 347 CA LEU A 24 11.522 5.906 1.245 1.00 0.00 C ATOM 348 C LEU A 24 11.583 4.461 1.711 1.00 0.00 C ATOM 349 O LEU A 24 12.151 4.157 2.759 1.00 0.00 O ATOM 350 CB LEU A 24 10.146 6.492 1.565 1.00 0.00 C ATOM 351 CG LEU A 24 9.065 6.248 0.511 1.00 0.00 C ATOM 352 CD1 LEU A 24 8.378 4.901 0.727 1.00 0.00 C ATOM 353 CD2 LEU A 24 8.053 7.382 0.539 1.00 0.00 C ATOM 0 H LEU A 24 11.055 6.356 -0.753 1.00 0.00 H new ATOM 0 HA LEU A 24 12.273 6.496 1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.805 6.076 2.513 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.253 7.567 1.709 1.00 0.00 H new ATOM 0 HG LEU A 24 9.538 6.221 -0.471 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.615 4.755 -0.037 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.116 4.101 0.660 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.913 4.884 1.713 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.285 7.203 -0.214 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.590 7.432 1.525 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.557 8.325 0.326 1.00 0.00 H new ATOM 365 N LEU A 25 11.001 3.570 0.915 1.00 0.00 N ATOM 366 CA LEU A 25 11.002 2.154 1.242 1.00 0.00 C ATOM 367 C LEU A 25 12.430 1.635 1.308 1.00 0.00 C ATOM 368 O LEU A 25 12.799 0.918 2.236 1.00 0.00 O ATOM 369 CB LEU A 25 10.201 1.360 0.210 1.00 0.00 C ATOM 370 CG LEU A 25 8.683 1.440 0.371 1.00 0.00 C ATOM 371 CD1 LEU A 25 7.985 1.066 -0.926 1.00 0.00 C ATOM 372 CD2 LEU A 25 8.220 0.538 1.504 1.00 0.00 C ATOM 0 H LEU A 25 10.526 3.805 0.044 1.00 0.00 H new ATOM 0 HA LEU A 25 10.531 2.025 2.216 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.465 1.717 -0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.503 0.314 0.264 1.00 0.00 H new ATOM 0 HG LEU A 25 8.419 2.468 0.617 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.905 1.129 -0.790 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.292 1.752 -1.715 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.256 0.048 -1.205 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.137 0.607 1.605 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.499 -0.493 1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.692 0.852 2.435 1.00 0.00 H new ATOM 384 N LEU A 26 13.235 2.010 0.320 1.00 0.00 N ATOM 385 CA LEU A 26 14.627 1.585 0.279 1.00 0.00 C ATOM 386 C LEU A 26 15.407 2.172 1.450 1.00 0.00 C ATOM 387 O LEU A 26 16.172 1.471 2.113 1.00 0.00 O ATOM 388 CB LEU A 26 15.271 1.999 -1.037 1.00 0.00 C ATOM 389 CG LEU A 26 15.465 0.860 -2.032 1.00 0.00 C ATOM 390 CD1 LEU A 26 14.871 1.225 -3.382 1.00 0.00 C ATOM 391 CD2 LEU A 26 16.941 0.517 -2.162 1.00 0.00 C ATOM 0 H LEU A 26 12.949 2.604 -0.458 1.00 0.00 H new ATOM 0 HA LEU A 26 14.652 0.498 0.357 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.656 2.769 -1.502 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.241 2.450 -0.826 1.00 0.00 H new ATOM 0 HG LEU A 26 14.942 -0.021 -1.660 1.00 0.00 H new ATOM 0 HD11 LEU A 26 15.019 0.400 -4.079 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.804 1.419 -3.270 1.00 0.00 H new ATOM 0 HD13 LEU A 26 15.363 2.118 -3.767 1.00 0.00 H new ATOM 0 HD21 LEU A 26 17.064 -0.298 -2.876 1.00 0.00 H new ATOM 0 HD22 LEU A 26 17.488 1.392 -2.513 1.00 0.00 H new ATOM 0 HD23 LEU A 26 17.330 0.211 -1.191 1.00 0.00 H new ATOM 403 N ASP A 27 15.202 3.459 1.703 1.00 0.00 N ATOM 404 CA ASP A 27 15.880 4.137 2.800 1.00 0.00 C ATOM 405 C ASP A 27 15.346 3.642 4.138 1.00 0.00 C ATOM 406 O ASP A 27 16.027 3.721 5.161 1.00 0.00 O ATOM 407 CB ASP A 27 15.693 5.651 2.688 1.00 0.00 C ATOM 408 CG ASP A 27 16.641 6.278 1.685 1.00 0.00 C ATOM 409 OD1 ASP A 27 16.489 6.008 0.475 1.00 0.00 O ATOM 410 OD2 ASP A 27 17.535 7.039 2.109 1.00 0.00 O ATOM 0 H ASP A 27 14.572 4.053 1.164 1.00 0.00 H new ATOM 0 HA ASP A 27 16.945 3.911 2.741 1.00 0.00 H new ATOM 0 HB2 ASP A 27 14.665 5.867 2.396 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.849 6.107 3.666 1.00 0.00 H new ATOM 415 N THR A 28 14.122 3.128 4.118 1.00 0.00 N ATOM 416 CA THR A 28 13.484 2.612 5.321 1.00 0.00 C ATOM 417 C THR A 28 14.167 1.332 5.793 1.00 0.00 C ATOM 418 O THR A 28 14.565 1.218 6.951 1.00 0.00 O ATOM 419 CB THR A 28 12.004 2.340 5.056 1.00 0.00 C ATOM 420 OG1 THR A 28 11.219 2.685 6.182 1.00 0.00 O ATOM 421 CG2 THR A 28 11.716 0.893 4.719 1.00 0.00 C ATOM 0 H THR A 28 13.550 3.058 3.277 1.00 0.00 H new ATOM 0 HA THR A 28 13.578 3.364 6.104 1.00 0.00 H new ATOM 0 HB THR A 28 11.746 2.957 4.195 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.787 2.716 6.980 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.648 0.766 4.542 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.268 0.611 3.823 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.024 0.258 5.549 1.00 0.00 H new ATOM 429 N GLY A 29 14.293 0.370 4.884 1.00 0.00 N ATOM 430 CA GLY A 29 14.921 -0.893 5.223 1.00 0.00 C ATOM 431 C GLY A 29 14.003 -1.787 6.032 1.00 0.00 C ATOM 432 O GLY A 29 14.104 -1.846 7.257 1.00 0.00 O ATOM 0 H GLY A 29 13.971 0.443 3.919 1.00 0.00 H new ATOM 0 HA2 GLY A 29 15.215 -1.408 4.309 1.00 0.00 H new ATOM 0 HA3 GLY A 29 15.833 -0.704 5.789 1.00 0.00 H new ATOM 436 N LYS A 30 13.097 -2.476 5.346 1.00 0.00 N ATOM 437 CA LYS A 30 12.149 -3.361 6.011 1.00 0.00 C ATOM 438 C LYS A 30 11.669 -4.476 5.099 1.00 0.00 C ATOM 439 O LYS A 30 11.549 -4.297 3.886 1.00 0.00 O ATOM 440 CB LYS A 30 10.939 -2.568 6.501 1.00 0.00 C ATOM 441 CG LYS A 30 11.175 -1.848 7.811 1.00 0.00 C ATOM 442 CD LYS A 30 11.278 -0.343 7.623 1.00 0.00 C ATOM 443 CE LYS A 30 10.040 0.228 6.943 1.00 0.00 C ATOM 444 NZ LYS A 30 9.700 1.583 7.459 1.00 0.00 N ATOM 0 H LYS A 30 13.000 -2.438 4.331 1.00 0.00 H new ATOM 0 HA LYS A 30 12.674 -3.810 6.854 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.661 -1.838 5.740 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.093 -3.246 6.616 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.361 -2.072 8.500 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.092 -2.220 8.269 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.414 0.136 8.593 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.160 -0.111 7.026 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.208 0.280 5.867 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.196 -0.443 7.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.670 1.723 7.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.019 1.669 8.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.173 2.304 6.878 1.00 0.00 H new ATOM 458 N GLU A 31 11.361 -5.621 5.699 1.00 0.00 N ATOM 459 CA GLU A 31 10.854 -6.755 4.949 1.00 0.00 C ATOM 460 C GLU A 31 9.354 -6.588 4.745 1.00 0.00 C ATOM 461 O GLU A 31 8.572 -6.706 5.688 1.00 0.00 O ATOM 462 CB GLU A 31 11.146 -8.063 5.687 1.00 0.00 C ATOM 463 CG GLU A 31 11.058 -9.295 4.800 1.00 0.00 C ATOM 464 CD GLU A 31 12.422 -9.796 4.364 1.00 0.00 C ATOM 465 OE1 GLU A 31 13.405 -9.551 5.094 1.00 0.00 O ATOM 466 OE2 GLU A 31 12.505 -10.434 3.293 1.00 0.00 O ATOM 0 H GLU A 31 11.455 -5.784 6.701 1.00 0.00 H new ATOM 0 HA GLU A 31 11.352 -6.796 3.980 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.144 -8.010 6.123 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.443 -8.169 6.513 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.538 -10.088 5.336 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.461 -9.062 3.918 1.00 0.00 H new ATOM 473 N GLY A 32 8.963 -6.295 3.514 1.00 0.00 N ATOM 474 CA GLY A 32 7.565 -6.095 3.214 1.00 0.00 C ATOM 475 C GLY A 32 7.088 -4.710 3.601 1.00 0.00 C ATOM 476 O GLY A 32 5.893 -4.499 3.808 1.00 0.00 O ATOM 0 H GLY A 32 9.592 -6.192 2.718 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.398 -6.250 2.148 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.972 -6.842 3.741 1.00 0.00 H new ATOM 480 N ALA A 33 8.016 -3.754 3.696 1.00 0.00 N ATOM 481 CA ALA A 33 7.652 -2.397 4.055 1.00 0.00 C ATOM 482 C ALA A 33 6.466 -1.955 3.219 1.00 0.00 C ATOM 483 O ALA A 33 6.406 -2.226 2.015 1.00 0.00 O ATOM 484 CB ALA A 33 8.830 -1.452 3.891 1.00 0.00 C ATOM 0 H ALA A 33 9.012 -3.900 3.530 1.00 0.00 H new ATOM 0 HA ALA A 33 7.368 -2.371 5.107 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.527 -0.442 4.167 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.648 -1.775 4.535 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.161 -1.460 2.853 1.00 0.00 H new ATOM 490 N PHE A 34 5.505 -1.323 3.872 1.00 0.00 N ATOM 491 CA PHE A 34 4.286 -0.897 3.202 1.00 0.00 C ATOM 492 C PHE A 34 4.091 0.613 3.189 1.00 0.00 C ATOM 493 O PHE A 34 4.373 1.303 4.161 1.00 0.00 O ATOM 494 CB PHE A 34 3.095 -1.543 3.886 1.00 0.00 C ATOM 495 CG PHE A 34 1.815 -0.811 3.606 1.00 0.00 C ATOM 496 CD1 PHE A 34 1.397 -0.623 2.306 1.00 0.00 C ATOM 497 CD2 PHE A 34 1.045 -0.289 4.625 1.00 0.00 C ATOM 498 CE1 PHE A 34 0.237 0.068 2.026 1.00 0.00 C ATOM 499 CE2 PHE A 34 -0.102 0.399 4.351 1.00 0.00 C ATOM 500 CZ PHE A 34 -0.512 0.583 3.055 1.00 0.00 C ATOM 0 H PHE A 34 5.545 -1.093 4.865 1.00 0.00 H new ATOM 0 HA PHE A 34 4.372 -1.212 2.162 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.002 -2.576 3.551 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.267 -1.572 4.962 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.987 -1.023 1.495 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.353 -0.426 5.651 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.081 0.203 1.003 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.691 0.802 5.161 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.419 1.130 2.845 1.00 0.00 H new ATOM 510 N MET A 35 3.573 1.113 2.075 1.00 0.00 N ATOM 511 CA MET A 35 3.299 2.534 1.929 1.00 0.00 C ATOM 512 C MET A 35 2.111 2.745 0.991 1.00 0.00 C ATOM 513 O MET A 35 1.749 1.843 0.240 1.00 0.00 O ATOM 514 CB MET A 35 4.536 3.258 1.405 1.00 0.00 C ATOM 515 CG MET A 35 4.225 4.569 0.719 1.00 0.00 C ATOM 516 SD MET A 35 5.708 5.463 0.248 1.00 0.00 S ATOM 517 CE MET A 35 6.067 6.274 1.800 1.00 0.00 C ATOM 0 H MET A 35 3.334 0.552 1.257 1.00 0.00 H new ATOM 0 HA MET A 35 3.047 2.949 2.905 1.00 0.00 H new ATOM 0 HB2 MET A 35 5.217 3.445 2.236 1.00 0.00 H new ATOM 0 HB3 MET A 35 5.059 2.606 0.705 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.622 4.377 -0.169 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.625 5.190 1.384 1.00 0.00 H new ATOM 0 HE1 MET A 35 6.073 7.354 1.653 1.00 0.00 H new ATOM 0 HE2 MET A 35 5.304 6.012 2.533 1.00 0.00 H new ATOM 0 HE3 MET A 35 7.043 5.951 2.162 1.00 0.00 H new ATOM 527 N VAL A 36 1.499 3.928 1.036 1.00 0.00 N ATOM 528 CA VAL A 36 0.350 4.214 0.174 1.00 0.00 C ATOM 529 C VAL A 36 0.402 5.617 -0.401 1.00 0.00 C ATOM 530 O VAL A 36 0.963 6.530 0.201 1.00 0.00 O ATOM 531 CB VAL A 36 -0.996 4.024 0.900 1.00 0.00 C ATOM 532 CG1 VAL A 36 -2.163 4.344 -0.022 1.00 0.00 C ATOM 533 CG2 VAL A 36 -1.108 2.609 1.434 1.00 0.00 C ATOM 0 H VAL A 36 1.773 4.695 1.650 1.00 0.00 H new ATOM 0 HA VAL A 36 0.415 3.490 -0.639 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.034 4.718 1.740 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.101 4.202 0.515 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.090 5.379 -0.356 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.136 3.681 -0.887 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.063 2.487 1.945 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.046 1.902 0.607 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.295 2.419 2.135 1.00 0.00 H new ATOM 543 N ARG A 37 -0.181 5.776 -1.582 1.00 0.00 N ATOM 544 CA ARG A 37 -0.202 7.063 -2.255 1.00 0.00 C ATOM 545 C ARG A 37 -1.483 7.233 -3.065 1.00 0.00 C ATOM 546 O ARG A 37 -1.812 6.404 -3.914 1.00 0.00 O ATOM 547 CB ARG A 37 1.028 7.187 -3.149 1.00 0.00 C ATOM 548 CG ARG A 37 0.744 6.997 -4.626 1.00 0.00 C ATOM 549 CD ARG A 37 1.878 6.243 -5.298 1.00 0.00 C ATOM 550 NE ARG A 37 2.122 6.720 -6.656 1.00 0.00 N ATOM 551 CZ ARG A 37 2.268 8.004 -6.970 1.00 0.00 C ATOM 552 NH1 ARG A 37 2.224 8.930 -6.024 1.00 0.00 N ATOM 553 NH2 ARG A 37 2.469 8.359 -8.232 1.00 0.00 N ATOM 0 H ARG A 37 -0.646 5.026 -2.093 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.180 7.856 -1.507 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.474 8.170 -3.000 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.767 6.450 -2.835 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.190 6.449 -4.754 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.613 7.968 -5.104 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.787 6.352 -4.706 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.641 5.179 -5.324 1.00 0.00 H new ATOM 0 HE ARG A 37 2.184 6.031 -7.405 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.078 8.659 -5.052 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.336 9.914 -6.268 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.512 7.647 -8.961 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.581 9.344 -8.473 1.00 0.00 H new ATOM 567 N ASP A 38 -2.212 8.309 -2.785 1.00 0.00 N ATOM 568 CA ASP A 38 -3.466 8.587 -3.474 1.00 0.00 C ATOM 569 C ASP A 38 -3.244 8.796 -4.969 1.00 0.00 C ATOM 570 O ASP A 38 -2.199 9.291 -5.390 1.00 0.00 O ATOM 571 CB ASP A 38 -4.143 9.817 -2.869 1.00 0.00 C ATOM 572 CG ASP A 38 -5.414 10.198 -3.604 1.00 0.00 C ATOM 573 OD1 ASP A 38 -5.877 9.396 -4.442 1.00 0.00 O ATOM 574 OD2 ASP A 38 -5.946 11.297 -3.340 1.00 0.00 O ATOM 0 H ASP A 38 -1.954 9.004 -2.084 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.115 7.721 -3.346 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.376 9.622 -1.822 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.449 10.657 -2.889 1.00 0.00 H new ATOM 579 N SER A 39 -4.239 8.413 -5.763 1.00 0.00 N ATOM 580 CA SER A 39 -4.164 8.552 -7.211 1.00 0.00 C ATOM 581 C SER A 39 -5.298 9.426 -7.737 1.00 0.00 C ATOM 582 O SER A 39 -6.165 9.860 -6.978 1.00 0.00 O ATOM 583 CB SER A 39 -4.219 7.176 -7.875 1.00 0.00 C ATOM 584 OG SER A 39 -2.925 6.610 -7.987 1.00 0.00 O ATOM 0 H SER A 39 -5.109 8.003 -5.425 1.00 0.00 H new ATOM 0 HA SER A 39 -3.217 9.033 -7.456 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.860 6.514 -7.293 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.667 7.264 -8.865 1.00 0.00 H new ATOM 0 HG SER A 39 -2.966 5.810 -8.551 1.00 0.00 H new ATOM 590 N ARG A 40 -5.289 9.678 -9.043 1.00 0.00 N ATOM 591 CA ARG A 40 -6.319 10.495 -9.673 1.00 0.00 C ATOM 592 C ARG A 40 -7.333 9.616 -10.399 1.00 0.00 C ATOM 593 O ARG A 40 -7.492 9.706 -11.617 1.00 0.00 O ATOM 594 CB ARG A 40 -5.689 11.486 -10.654 1.00 0.00 C ATOM 595 CG ARG A 40 -5.079 12.704 -9.979 1.00 0.00 C ATOM 596 CD ARG A 40 -5.870 13.965 -10.287 1.00 0.00 C ATOM 597 NE ARG A 40 -5.866 14.901 -9.166 1.00 0.00 N ATOM 598 CZ ARG A 40 -6.870 15.022 -8.303 1.00 0.00 C ATOM 599 NH1 ARG A 40 -7.952 14.268 -8.434 1.00 0.00 N ATOM 600 NH2 ARG A 40 -6.791 15.896 -7.309 1.00 0.00 N ATOM 0 H ARG A 40 -4.579 9.327 -9.685 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.836 11.052 -8.892 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.917 10.975 -11.229 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.449 11.816 -11.363 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.048 12.547 -8.901 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.049 12.829 -10.313 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.449 14.451 -11.167 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.898 13.697 -10.532 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.047 15.495 -9.038 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -8.015 13.594 -9.197 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.722 14.361 -7.772 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.959 16.477 -7.206 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.562 15.987 -6.648 1.00 0.00 H new ATOM 614 N THR A 41 -8.007 8.759 -9.641 1.00 0.00 N ATOM 615 CA THR A 41 -8.999 7.850 -10.200 1.00 0.00 C ATOM 616 C THR A 41 -10.248 7.811 -9.311 1.00 0.00 C ATOM 617 O THR A 41 -10.475 8.731 -8.524 1.00 0.00 O ATOM 618 CB THR A 41 -8.377 6.460 -10.354 1.00 0.00 C ATOM 619 OG1 THR A 41 -8.966 5.754 -11.432 1.00 0.00 O ATOM 620 CG2 THR A 41 -8.492 5.607 -9.111 1.00 0.00 C ATOM 0 H THR A 41 -7.883 8.675 -8.632 1.00 0.00 H new ATOM 0 HA THR A 41 -9.310 8.203 -11.183 1.00 0.00 H new ATOM 0 HB THR A 41 -7.319 6.642 -10.545 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.584 4.853 -11.480 1.00 0.00 H new ATOM 0 HG21 THR A 41 -8.030 4.636 -9.292 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.985 6.101 -8.282 1.00 0.00 H new ATOM 0 HG23 THR A 41 -9.544 5.468 -8.861 1.00 0.00 H new ATOM 628 N PRO A 42 -11.086 6.761 -9.421 1.00 0.00 N ATOM 629 CA PRO A 42 -12.311 6.641 -8.623 1.00 0.00 C ATOM 630 C PRO A 42 -12.148 7.105 -7.174 1.00 0.00 C ATOM 631 O PRO A 42 -13.130 7.212 -6.441 1.00 0.00 O ATOM 632 CB PRO A 42 -12.600 5.147 -8.688 1.00 0.00 C ATOM 633 CG PRO A 42 -12.128 4.748 -10.042 1.00 0.00 C ATOM 634 CD PRO A 42 -10.927 5.612 -10.338 1.00 0.00 C ATOM 0 HA PRO A 42 -13.111 7.275 -9.006 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -12.071 4.604 -7.905 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -13.662 4.940 -8.558 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.863 3.691 -10.067 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.909 4.898 -10.787 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.995 5.078 -10.153 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.910 5.931 -11.380 1.00 0.00 H new ATOM 642 N GLY A 43 -10.914 7.391 -6.767 1.00 0.00 N ATOM 643 CA GLY A 43 -10.676 7.849 -5.410 1.00 0.00 C ATOM 644 C GLY A 43 -9.904 6.856 -4.572 1.00 0.00 C ATOM 645 O GLY A 43 -9.872 6.956 -3.345 1.00 0.00 O ATOM 0 H GLY A 43 -10.080 7.314 -7.349 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.128 8.791 -5.442 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.633 8.053 -4.930 1.00 0.00 H new ATOM 649 N THR A 44 -9.279 5.900 -5.234 1.00 0.00 N ATOM 650 CA THR A 44 -8.494 4.882 -4.552 1.00 0.00 C ATOM 651 C THR A 44 -7.181 5.455 -4.045 1.00 0.00 C ATOM 652 O THR A 44 -6.930 6.657 -4.135 1.00 0.00 O ATOM 653 CB THR A 44 -8.185 3.735 -5.509 1.00 0.00 C ATOM 654 OG1 THR A 44 -6.873 3.246 -5.296 1.00 0.00 O ATOM 655 CG2 THR A 44 -8.294 4.136 -6.960 1.00 0.00 C ATOM 0 H THR A 44 -9.299 5.805 -6.249 1.00 0.00 H new ATOM 0 HA THR A 44 -9.079 4.522 -3.706 1.00 0.00 H new ATOM 0 HB THR A 44 -8.929 2.967 -5.299 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.222 3.931 -5.557 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.063 3.279 -7.593 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.308 4.478 -7.168 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.590 4.941 -7.169 1.00 0.00 H new ATOM 663 N TYR A 45 -6.337 4.570 -3.535 1.00 0.00 N ATOM 664 CA TYR A 45 -5.029 4.951 -3.035 1.00 0.00 C ATOM 665 C TYR A 45 -3.980 3.954 -3.504 1.00 0.00 C ATOM 666 O TYR A 45 -4.296 2.804 -3.815 1.00 0.00 O ATOM 667 CB TYR A 45 -5.026 5.024 -1.512 1.00 0.00 C ATOM 668 CG TYR A 45 -6.139 5.864 -0.947 1.00 0.00 C ATOM 669 CD1 TYR A 45 -7.456 5.534 -1.196 1.00 0.00 C ATOM 670 CD2 TYR A 45 -5.872 6.975 -0.161 1.00 0.00 C ATOM 671 CE1 TYR A 45 -8.490 6.285 -0.680 1.00 0.00 C ATOM 672 CE2 TYR A 45 -6.898 7.737 0.362 1.00 0.00 C ATOM 673 CZ TYR A 45 -8.207 7.387 0.101 1.00 0.00 C ATOM 674 OH TYR A 45 -9.235 8.142 0.619 1.00 0.00 O ATOM 0 H TYR A 45 -6.540 3.573 -3.457 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.791 5.939 -3.428 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.103 4.015 -1.108 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.071 5.429 -1.178 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.680 4.672 -1.806 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.848 7.248 0.045 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.515 6.013 -0.885 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.677 8.601 0.971 1.00 0.00 H new ATOM 0 HH TYR A 45 -8.865 8.881 1.146 1.00 0.00 H new ATOM 684 N THR A 46 -2.733 4.393 -3.551 1.00 0.00 N ATOM 685 CA THR A 46 -1.648 3.526 -3.977 1.00 0.00 C ATOM 686 C THR A 46 -0.934 2.942 -2.767 1.00 0.00 C ATOM 687 O THR A 46 -0.907 3.559 -1.709 1.00 0.00 O ATOM 688 CB THR A 46 -0.654 4.290 -4.844 1.00 0.00 C ATOM 689 OG1 THR A 46 -1.330 5.138 -5.756 1.00 0.00 O ATOM 690 CG2 THR A 46 0.247 3.376 -5.642 1.00 0.00 C ATOM 0 H THR A 46 -2.448 5.340 -3.301 1.00 0.00 H new ATOM 0 HA THR A 46 -2.073 2.715 -4.567 1.00 0.00 H new ATOM 0 HB THR A 46 -0.043 4.871 -4.153 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.902 5.761 -5.261 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.934 3.974 -6.241 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.816 2.742 -4.962 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.358 2.752 -6.300 1.00 0.00 H new ATOM 698 N VAL A 47 -0.361 1.753 -2.920 1.00 0.00 N ATOM 699 CA VAL A 47 0.344 1.109 -1.819 1.00 0.00 C ATOM 700 C VAL A 47 1.755 0.694 -2.210 1.00 0.00 C ATOM 701 O VAL A 47 1.941 -0.242 -2.984 1.00 0.00 O ATOM 702 CB VAL A 47 -0.388 -0.147 -1.314 1.00 0.00 C ATOM 703 CG1 VAL A 47 0.531 -0.951 -0.403 1.00 0.00 C ATOM 704 CG2 VAL A 47 -1.674 0.227 -0.593 1.00 0.00 C ATOM 0 H VAL A 47 -0.371 1.219 -3.789 1.00 0.00 H new ATOM 0 HA VAL A 47 0.381 1.857 -1.027 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.657 -0.763 -2.172 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.007 -1.839 -0.049 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.420 -1.252 -0.957 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.824 -0.339 0.450 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.173 -0.678 -0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.441 0.863 0.261 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.331 0.764 -1.277 1.00 0.00 H new ATOM 714 N SER A 48 2.748 1.362 -1.639 1.00 0.00 N ATOM 715 CA SER A 48 4.131 1.010 -1.909 1.00 0.00 C ATOM 716 C SER A 48 4.559 -0.083 -0.938 1.00 0.00 C ATOM 717 O SER A 48 4.550 0.117 0.281 1.00 0.00 O ATOM 718 CB SER A 48 5.074 2.214 -1.780 1.00 0.00 C ATOM 719 OG SER A 48 6.316 1.949 -2.407 1.00 0.00 O ATOM 0 H SER A 48 2.622 2.142 -0.993 1.00 0.00 H new ATOM 0 HA SER A 48 4.196 0.659 -2.939 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.613 3.093 -2.232 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.235 2.445 -0.727 1.00 0.00 H new ATOM 0 HG SER A 48 6.261 1.102 -2.897 1.00 0.00 H new ATOM 725 N VAL A 49 4.920 -1.237 -1.482 1.00 0.00 N ATOM 726 CA VAL A 49 5.347 -2.367 -0.669 1.00 0.00 C ATOM 727 C VAL A 49 6.756 -2.785 -1.056 1.00 0.00 C ATOM 728 O VAL A 49 7.019 -3.095 -2.220 1.00 0.00 O ATOM 729 CB VAL A 49 4.398 -3.570 -0.833 1.00 0.00 C ATOM 730 CG1 VAL A 49 2.949 -3.130 -0.695 1.00 0.00 C ATOM 731 CG2 VAL A 49 4.630 -4.255 -2.172 1.00 0.00 C ATOM 0 H VAL A 49 4.926 -1.415 -2.486 1.00 0.00 H new ATOM 0 HA VAL A 49 5.327 -2.050 0.374 1.00 0.00 H new ATOM 0 HB VAL A 49 4.612 -4.288 -0.042 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.294 -3.993 -0.814 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.795 -2.690 0.290 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.718 -2.391 -1.462 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.951 -5.102 -2.270 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.446 -3.547 -2.980 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.660 -4.608 -2.227 1.00 0.00 H new ATOM 741 N PHE A 50 7.672 -2.777 -0.091 1.00 0.00 N ATOM 742 CA PHE A 50 9.052 -3.145 -0.382 1.00 0.00 C ATOM 743 C PHE A 50 9.648 -4.064 0.681 1.00 0.00 C ATOM 744 O PHE A 50 9.356 -3.945 1.881 1.00 0.00 O ATOM 745 CB PHE A 50 9.908 -1.889 -0.560 1.00 0.00 C ATOM 746 CG PHE A 50 11.008 -1.738 0.450 1.00 0.00 C ATOM 747 CD1 PHE A 50 10.727 -1.770 1.804 1.00 0.00 C ATOM 748 CD2 PHE A 50 12.321 -1.548 0.044 1.00 0.00 C ATOM 749 CE1 PHE A 50 11.735 -1.615 2.737 1.00 0.00 C ATOM 750 CE2 PHE A 50 13.332 -1.395 0.971 1.00 0.00 C ATOM 751 CZ PHE A 50 13.039 -1.429 2.319 1.00 0.00 C ATOM 0 H PHE A 50 7.488 -2.525 0.880 1.00 0.00 H new ATOM 0 HA PHE A 50 9.048 -3.709 -1.315 1.00 0.00 H new ATOM 0 HB2 PHE A 50 10.347 -1.902 -1.558 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.261 -1.013 -0.508 1.00 0.00 H new ATOM 0 HD1 PHE A 50 9.710 -1.918 2.136 1.00 0.00 H new ATOM 0 HD2 PHE A 50 12.555 -1.519 -1.010 1.00 0.00 H new ATOM 0 HE1 PHE A 50 11.504 -1.639 3.792 1.00 0.00 H new ATOM 0 HE2 PHE A 50 14.350 -1.249 0.642 1.00 0.00 H new ATOM 0 HZ PHE A 50 13.828 -1.310 3.047 1.00 0.00 H new ATOM 761 N THR A 51 10.484 -4.988 0.213 1.00 0.00 N ATOM 762 CA THR A 51 11.143 -5.956 1.080 1.00 0.00 C ATOM 763 C THR A 51 12.601 -6.136 0.686 1.00 0.00 C ATOM 764 O THR A 51 12.908 -6.844 -0.272 1.00 0.00 O ATOM 765 CB THR A 51 10.437 -7.305 0.970 1.00 0.00 C ATOM 766 OG1 THR A 51 9.206 -7.298 1.668 1.00 0.00 O ATOM 767 CG2 THR A 51 11.263 -8.456 1.495 1.00 0.00 C ATOM 0 H THR A 51 10.722 -5.085 -0.774 1.00 0.00 H new ATOM 0 HA THR A 51 11.095 -5.583 2.103 1.00 0.00 H new ATOM 0 HB THR A 51 10.274 -7.453 -0.098 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.137 -8.107 2.217 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.703 -9.385 1.387 1.00 0.00 H new ATOM 0 HG22 THR A 51 12.192 -8.525 0.929 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.491 -8.290 2.548 1.00 0.00 H new ATOM 775 N LYS A 52 13.501 -5.512 1.434 1.00 0.00 N ATOM 776 CA LYS A 52 14.915 -5.639 1.152 1.00 0.00 C ATOM 777 C LYS A 52 15.216 -7.001 0.527 1.00 0.00 C ATOM 778 O LYS A 52 15.195 -8.032 1.199 1.00 0.00 O ATOM 779 CB LYS A 52 15.734 -5.456 2.431 1.00 0.00 C ATOM 780 CG LYS A 52 15.361 -4.212 3.219 1.00 0.00 C ATOM 781 CD LYS A 52 15.331 -4.487 4.713 1.00 0.00 C ATOM 782 CE LYS A 52 14.639 -5.805 5.023 1.00 0.00 C ATOM 783 NZ LYS A 52 14.262 -5.910 6.460 1.00 0.00 N ATOM 0 H LYS A 52 13.275 -4.919 2.233 1.00 0.00 H new ATOM 0 HA LYS A 52 15.194 -4.860 0.443 1.00 0.00 H new ATOM 0 HB2 LYS A 52 15.601 -6.332 3.066 1.00 0.00 H new ATOM 0 HB3 LYS A 52 16.792 -5.408 2.172 1.00 0.00 H new ATOM 0 HG2 LYS A 52 16.078 -3.418 3.008 1.00 0.00 H new ATOM 0 HG3 LYS A 52 14.384 -3.854 2.894 1.00 0.00 H new ATOM 0 HD2 LYS A 52 16.350 -4.510 5.100 1.00 0.00 H new ATOM 0 HD3 LYS A 52 14.814 -3.674 5.223 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.746 -5.900 4.406 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.298 -6.632 4.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.317 -6.336 6.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.954 -6.506 6.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.252 -4.961 6.886 1.00 0.00 H new ATOM 797 N ALA A 53 15.507 -6.973 -0.769 1.00 0.00 N ATOM 798 CA ALA A 53 15.831 -8.181 -1.511 1.00 0.00 C ATOM 799 C ALA A 53 15.913 -7.912 -3.009 1.00 0.00 C ATOM 800 O ALA A 53 15.792 -6.770 -3.453 1.00 0.00 O ATOM 801 CB ALA A 53 14.801 -9.264 -1.225 1.00 0.00 C ATOM 0 H ALA A 53 15.524 -6.120 -1.328 1.00 0.00 H new ATOM 0 HA ALA A 53 16.812 -8.524 -1.181 1.00 0.00 H new ATOM 0 HB1 ALA A 53 15.054 -10.164 -1.786 1.00 0.00 H new ATOM 0 HB2 ALA A 53 14.797 -9.490 -0.159 1.00 0.00 H new ATOM 0 HB3 ALA A 53 13.813 -8.915 -1.525 1.00 0.00 H new ATOM 807 N ILE A 54 16.121 -8.976 -3.781 1.00 0.00 N ATOM 808 CA ILE A 54 16.225 -8.871 -5.232 1.00 0.00 C ATOM 809 C ILE A 54 17.520 -9.499 -5.735 1.00 0.00 C ATOM 810 O ILE A 54 18.538 -9.483 -5.043 1.00 0.00 O ATOM 811 CB ILE A 54 16.163 -7.406 -5.703 1.00 0.00 C ATOM 812 CG1 ILE A 54 14.734 -6.869 -5.600 1.00 0.00 C ATOM 813 CG2 ILE A 54 16.677 -7.288 -7.130 1.00 0.00 C ATOM 814 CD1 ILE A 54 13.845 -7.672 -4.674 1.00 0.00 C ATOM 0 H ILE A 54 16.221 -9.925 -3.422 1.00 0.00 H new ATOM 0 HA ILE A 54 15.373 -9.410 -5.647 1.00 0.00 H new ATOM 0 HB ILE A 54 16.801 -6.806 -5.054 1.00 0.00 H new ATOM 0 HG12 ILE A 54 14.768 -5.837 -5.251 1.00 0.00 H new ATOM 0 HG13 ILE A 54 14.288 -6.855 -6.595 1.00 0.00 H new ATOM 0 HG21 ILE A 54 16.627 -6.247 -7.450 1.00 0.00 H new ATOM 0 HG22 ILE A 54 17.710 -7.632 -7.174 1.00 0.00 H new ATOM 0 HG23 ILE A 54 16.062 -7.900 -7.790 1.00 0.00 H new ATOM 0 HD11 ILE A 54 12.849 -7.231 -4.653 1.00 0.00 H new ATOM 0 HD12 ILE A 54 13.779 -8.699 -5.033 1.00 0.00 H new ATOM 0 HD13 ILE A 54 14.266 -7.665 -3.669 1.00 0.00 H new ATOM 826 N ILE A 55 17.475 -10.051 -6.943 1.00 0.00 N ATOM 827 CA ILE A 55 18.644 -10.685 -7.538 1.00 0.00 C ATOM 828 C ILE A 55 19.873 -9.788 -7.428 1.00 0.00 C ATOM 829 O ILE A 55 20.993 -10.271 -7.264 1.00 0.00 O ATOM 830 CB ILE A 55 18.405 -11.029 -9.020 1.00 0.00 C ATOM 831 CG1 ILE A 55 17.268 -12.044 -9.153 1.00 0.00 C ATOM 832 CG2 ILE A 55 19.679 -11.567 -9.652 1.00 0.00 C ATOM 833 CD1 ILE A 55 16.442 -11.864 -10.408 1.00 0.00 C ATOM 0 H ILE A 55 16.640 -10.072 -7.529 1.00 0.00 H new ATOM 0 HA ILE A 55 18.819 -11.607 -6.983 1.00 0.00 H new ATOM 0 HB ILE A 55 18.119 -10.119 -9.547 1.00 0.00 H new ATOM 0 HG12 ILE A 55 17.687 -13.050 -9.145 1.00 0.00 H new ATOM 0 HG13 ILE A 55 16.616 -11.963 -8.283 1.00 0.00 H new ATOM 0 HG21 ILE A 55 19.493 -11.805 -10.699 1.00 0.00 H new ATOM 0 HG22 ILE A 55 20.464 -10.814 -9.585 1.00 0.00 H new ATOM 0 HG23 ILE A 55 19.994 -12.468 -9.125 1.00 0.00 H new ATOM 0 HD11 ILE A 55 15.655 -12.617 -10.437 1.00 0.00 H new ATOM 0 HD12 ILE A 55 15.994 -10.870 -10.409 1.00 0.00 H new ATOM 0 HD13 ILE A 55 17.082 -11.975 -11.284 1.00 0.00 H new ATOM 845 N SER A 56 19.656 -8.480 -7.523 1.00 0.00 N ATOM 846 CA SER A 56 20.749 -7.517 -7.436 1.00 0.00 C ATOM 847 C SER A 56 20.370 -6.337 -6.547 1.00 0.00 C ATOM 848 O SER A 56 20.989 -5.275 -6.611 1.00 0.00 O ATOM 849 CB SER A 56 21.128 -7.017 -8.831 1.00 0.00 C ATOM 850 OG SER A 56 20.337 -5.901 -9.204 1.00 0.00 O ATOM 0 H SER A 56 18.735 -8.063 -7.660 1.00 0.00 H new ATOM 0 HA SER A 56 21.607 -8.021 -6.991 1.00 0.00 H new ATOM 0 HB2 SER A 56 22.183 -6.742 -8.848 1.00 0.00 H new ATOM 0 HB3 SER A 56 20.996 -7.819 -9.557 1.00 0.00 H new ATOM 0 HG SER A 56 20.599 -5.599 -10.099 1.00 0.00 H new ATOM 856 N GLU A 57 19.349 -6.529 -5.718 1.00 0.00 N ATOM 857 CA GLU A 57 18.889 -5.478 -4.817 1.00 0.00 C ATOM 858 C GLU A 57 18.293 -4.315 -5.602 1.00 0.00 C ATOM 859 O GLU A 57 18.954 -3.301 -5.828 1.00 0.00 O ATOM 860 CB GLU A 57 20.045 -4.983 -3.945 1.00 0.00 C ATOM 861 CG GLU A 57 19.672 -3.813 -3.049 1.00 0.00 C ATOM 862 CD GLU A 57 20.671 -3.596 -1.930 1.00 0.00 C ATOM 863 OE1 GLU A 57 21.532 -4.476 -1.723 1.00 0.00 O ATOM 864 OE2 GLU A 57 20.592 -2.545 -1.259 1.00 0.00 O ATOM 0 H GLU A 57 18.825 -7.401 -5.651 1.00 0.00 H new ATOM 0 HA GLU A 57 18.113 -5.895 -4.175 1.00 0.00 H new ATOM 0 HB2 GLU A 57 20.400 -5.806 -3.325 1.00 0.00 H new ATOM 0 HB3 GLU A 57 20.874 -4.688 -4.588 1.00 0.00 H new ATOM 0 HG2 GLU A 57 19.603 -2.907 -3.651 1.00 0.00 H new ATOM 0 HG3 GLU A 57 18.685 -3.988 -2.621 1.00 0.00 H new ATOM 871 N ASN A 58 17.040 -4.470 -6.016 1.00 0.00 N ATOM 872 CA ASN A 58 16.353 -3.435 -6.778 1.00 0.00 C ATOM 873 C ASN A 58 16.089 -2.204 -5.917 1.00 0.00 C ATOM 874 O ASN A 58 16.446 -1.086 -6.294 1.00 0.00 O ATOM 875 CB ASN A 58 15.037 -3.976 -7.338 1.00 0.00 C ATOM 876 CG ASN A 58 15.198 -4.565 -8.726 1.00 0.00 C ATOM 877 OD1 ASN A 58 16.286 -4.541 -9.301 1.00 0.00 O ATOM 878 ND2 ASN A 58 14.111 -5.098 -9.272 1.00 0.00 N ATOM 0 H ASN A 58 16.480 -5.303 -5.836 1.00 0.00 H new ATOM 0 HA ASN A 58 16.998 -3.140 -7.606 1.00 0.00 H new ATOM 0 HB2 ASN A 58 14.646 -4.739 -6.666 1.00 0.00 H new ATOM 0 HB3 ASN A 58 14.301 -3.172 -7.370 1.00 0.00 H new ATOM 0 HD21 ASN A 58 14.158 -5.509 -10.204 1.00 0.00 H new ATOM 0 HD22 ASN A 58 13.229 -5.096 -8.759 1.00 0.00 H new ATOM 885 N PRO A 59 15.458 -2.388 -4.746 1.00 0.00 N ATOM 886 CA PRO A 59 15.021 -3.693 -4.264 1.00 0.00 C ATOM 887 C PRO A 59 13.622 -4.051 -4.756 1.00 0.00 C ATOM 888 O PRO A 59 13.223 -3.664 -5.855 1.00 0.00 O ATOM 889 CB PRO A 59 15.028 -3.498 -2.751 1.00 0.00 C ATOM 890 CG PRO A 59 14.666 -2.064 -2.555 1.00 0.00 C ATOM 891 CD PRO A 59 15.122 -1.321 -3.790 1.00 0.00 C ATOM 0 HA PRO A 59 15.655 -4.508 -4.614 1.00 0.00 H new ATOM 0 HB2 PRO A 59 14.311 -4.158 -2.263 1.00 0.00 H new ATOM 0 HB3 PRO A 59 16.007 -3.721 -2.327 1.00 0.00 H new ATOM 0 HG2 PRO A 59 13.591 -1.953 -2.413 1.00 0.00 H new ATOM 0 HG3 PRO A 59 15.148 -1.663 -1.663 1.00 0.00 H new ATOM 0 HD2 PRO A 59 14.337 -0.671 -4.177 1.00 0.00 H new ATOM 0 HD3 PRO A 59 15.984 -0.688 -3.579 1.00 0.00 H new ATOM 899 N CYS A 60 12.881 -4.795 -3.943 1.00 0.00 N ATOM 900 CA CYS A 60 11.533 -5.205 -4.305 1.00 0.00 C ATOM 901 C CYS A 60 10.493 -4.194 -3.826 1.00 0.00 C ATOM 902 O CYS A 60 9.921 -4.349 -2.750 1.00 0.00 O ATOM 903 CB CYS A 60 11.226 -6.582 -3.709 1.00 0.00 C ATOM 904 SG CYS A 60 10.340 -7.690 -4.829 1.00 0.00 S ATOM 0 H CYS A 60 13.192 -5.126 -3.030 1.00 0.00 H new ATOM 0 HA CYS A 60 11.481 -5.256 -5.393 1.00 0.00 H new ATOM 0 HB2 CYS A 60 12.162 -7.055 -3.413 1.00 0.00 H new ATOM 0 HB3 CYS A 60 10.635 -6.450 -2.803 1.00 0.00 H new ATOM 0 HG CYS A 60 10.129 -8.828 -4.237 1.00 0.00 H new ATOM 910 N ILE A 61 10.234 -3.170 -4.640 1.00 0.00 N ATOM 911 CA ILE A 61 9.240 -2.158 -4.292 1.00 0.00 C ATOM 912 C ILE A 61 8.023 -2.266 -5.196 1.00 0.00 C ATOM 913 O ILE A 61 8.054 -1.825 -6.346 1.00 0.00 O ATOM 914 CB ILE A 61 9.785 -0.718 -4.402 1.00 0.00 C ATOM 915 CG1 ILE A 61 11.301 -0.688 -4.218 1.00 0.00 C ATOM 916 CG2 ILE A 61 9.097 0.182 -3.381 1.00 0.00 C ATOM 917 CD1 ILE A 61 11.738 -0.839 -2.780 1.00 0.00 C ATOM 0 H ILE A 61 10.695 -3.021 -5.537 1.00 0.00 H new ATOM 0 HA ILE A 61 8.973 -2.352 -3.253 1.00 0.00 H new ATOM 0 HB ILE A 61 9.566 -0.343 -5.402 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.747 -1.487 -4.810 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.688 0.253 -4.610 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.489 1.196 -3.467 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.023 0.191 -3.569 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.287 -0.196 -2.376 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.826 -0.809 -2.725 1.00 0.00 H new ATOM 0 HD12 ILE A 61 11.322 -0.025 -2.186 1.00 0.00 H new ATOM 0 HD13 ILE A 61 11.382 -1.792 -2.390 1.00 0.00 H new ATOM 929 N LYS A 62 6.950 -2.839 -4.675 1.00 0.00 N ATOM 930 CA LYS A 62 5.728 -2.982 -5.449 1.00 0.00 C ATOM 931 C LYS A 62 4.694 -1.966 -5.005 1.00 0.00 C ATOM 932 O LYS A 62 4.417 -1.829 -3.813 1.00 0.00 O ATOM 933 CB LYS A 62 5.143 -4.379 -5.307 1.00 0.00 C ATOM 934 CG LYS A 62 4.282 -4.780 -6.492 1.00 0.00 C ATOM 935 CD LYS A 62 4.850 -5.987 -7.211 1.00 0.00 C ATOM 936 CE LYS A 62 4.276 -7.272 -6.648 1.00 0.00 C ATOM 937 NZ LYS A 62 2.797 -7.337 -6.817 1.00 0.00 N ATOM 0 H LYS A 62 6.900 -3.210 -3.726 1.00 0.00 H new ATOM 0 HA LYS A 62 5.985 -2.811 -6.494 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.954 -5.098 -5.194 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.545 -4.427 -4.397 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.271 -5.002 -6.150 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.206 -3.944 -7.187 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.626 -5.920 -8.276 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.936 -5.996 -7.114 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.737 -8.125 -7.146 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.525 -7.348 -5.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.345 -7.432 -5.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.462 -6.467 -7.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.551 -8.158 -7.406 1.00 0.00 H new ATOM 951 N HIS A 63 4.109 -1.265 -5.962 1.00 0.00 N ATOM 952 CA HIS A 63 3.095 -0.284 -5.644 1.00 0.00 C ATOM 953 C HIS A 63 1.712 -0.866 -5.898 1.00 0.00 C ATOM 954 O HIS A 63 1.299 -1.044 -7.043 1.00 0.00 O ATOM 955 CB HIS A 63 3.299 0.978 -6.485 1.00 0.00 C ATOM 956 CG HIS A 63 4.543 1.734 -6.136 1.00 0.00 C ATOM 957 ND1 HIS A 63 4.845 2.170 -4.866 1.00 0.00 N ATOM 958 CD2 HIS A 63 5.575 2.130 -6.924 1.00 0.00 C ATOM 959 CE1 HIS A 63 6.025 2.802 -4.918 1.00 0.00 C ATOM 960 NE2 HIS A 63 6.511 2.806 -6.144 1.00 0.00 N ATOM 0 H HIS A 63 4.319 -1.358 -6.956 1.00 0.00 H new ATOM 0 HA HIS A 63 3.179 -0.018 -4.590 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.335 0.701 -7.539 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.437 1.633 -6.357 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.657 1.950 -7.986 1.00 0.00 H new ATOM 0 HE1 HIS A 63 6.515 3.250 -4.066 1.00 0.00 H new ATOM 0 HE2 HIS A 63 7.390 3.218 -6.456 1.00 0.00 H new ATOM 968 N TYR A 64 1.002 -1.156 -4.817 1.00 0.00 N ATOM 969 CA TYR A 64 -0.337 -1.712 -4.905 1.00 0.00 C ATOM 970 C TYR A 64 -1.376 -0.613 -4.783 1.00 0.00 C ATOM 971 O TYR A 64 -1.435 0.078 -3.767 1.00 0.00 O ATOM 972 CB TYR A 64 -0.555 -2.739 -3.803 1.00 0.00 C ATOM 973 CG TYR A 64 0.189 -4.023 -4.043 1.00 0.00 C ATOM 974 CD1 TYR A 64 1.573 -4.047 -4.039 1.00 0.00 C ATOM 975 CD2 TYR A 64 -0.491 -5.207 -4.278 1.00 0.00 C ATOM 976 CE1 TYR A 64 2.261 -5.215 -4.259 1.00 0.00 C ATOM 977 CE2 TYR A 64 0.191 -6.384 -4.501 1.00 0.00 C ATOM 978 CZ TYR A 64 1.569 -6.384 -4.491 1.00 0.00 C ATOM 979 OH TYR A 64 2.256 -7.557 -4.708 1.00 0.00 O ATOM 0 H TYR A 64 1.335 -1.014 -3.864 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.442 -2.197 -5.875 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -0.239 -2.315 -2.850 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.620 -2.953 -3.719 1.00 0.00 H new ATOM 0 HD1 TYR A 64 2.120 -3.133 -3.860 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -1.571 -5.208 -4.287 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.341 -5.217 -4.250 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -0.351 -7.300 -4.682 1.00 0.00 H new ATOM 0 HH TYR A 64 1.644 -8.317 -4.616 1.00 0.00 H new ATOM 989 N HIS A 65 -2.202 -0.448 -5.805 1.00 0.00 N ATOM 990 CA HIS A 65 -3.230 0.574 -5.756 1.00 0.00 C ATOM 991 C HIS A 65 -4.537 -0.004 -5.263 1.00 0.00 C ATOM 992 O HIS A 65 -5.086 -0.927 -5.865 1.00 0.00 O ATOM 993 CB HIS A 65 -3.446 1.238 -7.111 1.00 0.00 C ATOM 994 CG HIS A 65 -4.020 2.604 -6.973 1.00 0.00 C ATOM 995 ND1 HIS A 65 -3.370 3.644 -6.356 1.00 0.00 N ATOM 996 CD2 HIS A 65 -5.227 3.083 -7.347 1.00 0.00 C ATOM 997 CE1 HIS A 65 -4.190 4.698 -6.365 1.00 0.00 C ATOM 998 NE2 HIS A 65 -5.332 4.413 -6.958 1.00 0.00 N ATOM 0 H HIS A 65 -2.181 -0.999 -6.663 1.00 0.00 H new ATOM 0 HA HIS A 65 -2.882 1.336 -5.058 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.496 1.295 -7.643 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.113 0.623 -7.715 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -2.430 3.617 -5.962 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -5.989 2.521 -7.866 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -3.948 5.661 -5.940 1.00 0.00 H new ATOM 1006 N ILE A 66 -5.039 0.543 -4.167 1.00 0.00 N ATOM 1007 CA ILE A 66 -6.290 0.066 -3.614 1.00 0.00 C ATOM 1008 C ILE A 66 -7.409 0.261 -4.621 1.00 0.00 C ATOM 1009 O ILE A 66 -7.876 1.377 -4.840 1.00 0.00 O ATOM 1010 CB ILE A 66 -6.653 0.782 -2.299 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -5.435 1.504 -1.724 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -7.193 -0.221 -1.294 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -4.177 0.666 -1.726 1.00 0.00 C ATOM 0 H ILE A 66 -4.604 1.308 -3.651 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.165 -0.994 -3.394 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.423 1.524 -2.509 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.257 2.413 -2.299 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.655 1.812 -0.702 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.447 0.293 -0.367 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.085 -0.699 -1.700 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.435 -0.978 -1.093 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.354 1.243 -1.304 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.336 -0.230 -1.127 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.932 0.380 -2.749 1.00 0.00 H new ATOM 1025 N LYS A 67 -7.839 -0.836 -5.230 1.00 0.00 N ATOM 1026 CA LYS A 67 -8.906 -0.789 -6.213 1.00 0.00 C ATOM 1027 C LYS A 67 -10.209 -0.390 -5.540 1.00 0.00 C ATOM 1028 O LYS A 67 -10.441 -0.742 -4.384 1.00 0.00 O ATOM 1029 CB LYS A 67 -9.062 -2.144 -6.906 1.00 0.00 C ATOM 1030 CG LYS A 67 -9.959 -2.099 -8.133 1.00 0.00 C ATOM 1031 CD LYS A 67 -9.528 -1.008 -9.098 1.00 0.00 C ATOM 1032 CE LYS A 67 -8.021 -1.009 -9.304 1.00 0.00 C ATOM 1033 NZ LYS A 67 -7.611 -1.939 -10.393 1.00 0.00 N ATOM 0 H LYS A 67 -7.463 -1.769 -5.058 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.652 -0.046 -6.969 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.077 -2.509 -7.199 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.469 -2.862 -6.194 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.934 -3.064 -8.639 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.990 -1.927 -7.825 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.027 -1.151 -10.056 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.843 -0.037 -8.716 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.686 0.000 -9.543 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.528 -1.297 -8.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.577 -1.911 -10.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.908 -2.907 -10.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.061 -1.650 -11.285 1.00 0.00 H new ATOM 1047 N GLU A 68 -11.043 0.348 -6.269 1.00 0.00 N ATOM 1048 CA GLU A 68 -12.327 0.814 -5.750 1.00 0.00 C ATOM 1049 C GLU A 68 -13.479 0.189 -6.525 1.00 0.00 C ATOM 1050 O GLU A 68 -13.437 0.100 -7.752 1.00 0.00 O ATOM 1051 CB GLU A 68 -12.409 2.340 -5.859 1.00 0.00 C ATOM 1052 CG GLU A 68 -12.208 3.069 -4.541 1.00 0.00 C ATOM 1053 CD GLU A 68 -13.441 3.839 -4.110 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -14.543 3.515 -4.601 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -13.304 4.764 -3.282 1.00 0.00 O ATOM 0 H GLU A 68 -10.851 0.638 -7.228 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.404 0.516 -4.704 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.657 2.683 -6.570 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.382 2.612 -6.268 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.945 2.348 -3.767 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.368 3.757 -4.634 1.00 0.00 H new ATOM 1062 N THR A 69 -14.509 -0.245 -5.806 1.00 0.00 N ATOM 1063 CA THR A 69 -15.666 -0.860 -6.439 1.00 0.00 C ATOM 1064 C THR A 69 -16.874 -0.859 -5.504 1.00 0.00 C ATOM 1065 O THR A 69 -17.070 -1.802 -4.739 1.00 0.00 O ATOM 1066 CB THR A 69 -15.337 -2.295 -6.855 1.00 0.00 C ATOM 1067 OG1 THR A 69 -16.523 -3.023 -7.124 1.00 0.00 O ATOM 1068 CG2 THR A 69 -14.557 -3.058 -5.806 1.00 0.00 C ATOM 0 H THR A 69 -14.565 -0.182 -4.789 1.00 0.00 H new ATOM 0 HA THR A 69 -15.916 -0.273 -7.323 1.00 0.00 H new ATOM 0 HB THR A 69 -14.719 -2.203 -7.748 1.00 0.00 H new ATOM 0 HG1 THR A 69 -16.537 -3.838 -6.581 1.00 0.00 H new ATOM 0 HG21 THR A 69 -14.357 -4.068 -6.164 1.00 0.00 H new ATOM 0 HG22 THR A 69 -13.613 -2.548 -5.612 1.00 0.00 H new ATOM 0 HG23 THR A 69 -15.138 -3.108 -4.885 1.00 0.00 H new ATOM 1076 N ASN A 70 -17.688 0.196 -5.572 1.00 0.00 N ATOM 1077 CA ASN A 70 -18.878 0.290 -4.728 1.00 0.00 C ATOM 1078 C ASN A 70 -19.361 -1.106 -4.367 1.00 0.00 C ATOM 1079 O ASN A 70 -20.242 -1.659 -5.027 1.00 0.00 O ATOM 1080 CB ASN A 70 -19.986 1.058 -5.451 1.00 0.00 C ATOM 1081 CG ASN A 70 -19.899 2.554 -5.220 1.00 0.00 C ATOM 1082 OD1 ASN A 70 -19.841 3.339 -6.167 1.00 0.00 O ATOM 1083 ND2 ASN A 70 -19.887 2.957 -3.954 1.00 0.00 N ATOM 0 H ASN A 70 -17.546 0.990 -6.197 1.00 0.00 H new ATOM 0 HA ASN A 70 -18.622 0.829 -3.816 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -19.927 0.854 -6.520 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -20.956 0.697 -5.111 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -19.828 3.952 -3.736 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -19.937 2.272 -3.200 1.00 0.00 H new ATOM 1090 N ASP A 71 -18.752 -1.691 -3.342 1.00 0.00 N ATOM 1091 CA ASP A 71 -19.093 -3.038 -2.933 1.00 0.00 C ATOM 1092 C ASP A 71 -19.161 -3.187 -1.413 1.00 0.00 C ATOM 1093 O ASP A 71 -19.174 -2.205 -0.672 1.00 0.00 O ATOM 1094 CB ASP A 71 -18.044 -3.988 -3.490 1.00 0.00 C ATOM 1095 CG ASP A 71 -18.105 -4.101 -5.002 1.00 0.00 C ATOM 1096 OD1 ASP A 71 -19.170 -3.793 -5.577 1.00 0.00 O ATOM 1097 OD2 ASP A 71 -17.088 -4.496 -5.609 1.00 0.00 O ATOM 0 H ASP A 71 -18.021 -1.250 -2.783 1.00 0.00 H new ATOM 0 HA ASP A 71 -20.084 -3.272 -3.322 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -17.053 -3.643 -3.195 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -18.182 -4.975 -3.049 1.00 0.00 H new ATOM 1102 N SER A 72 -19.197 -4.443 -0.974 1.00 0.00 N ATOM 1103 CA SER A 72 -19.254 -4.792 0.440 1.00 0.00 C ATOM 1104 C SER A 72 -19.330 -6.309 0.578 1.00 0.00 C ATOM 1105 O SER A 72 -20.414 -6.864 0.756 1.00 0.00 O ATOM 1106 CB SER A 72 -20.466 -4.141 1.107 1.00 0.00 C ATOM 1107 OG SER A 72 -20.373 -2.728 1.066 1.00 0.00 O ATOM 0 H SER A 72 -19.187 -5.252 -1.596 1.00 0.00 H new ATOM 0 HA SER A 72 -18.356 -4.424 0.936 1.00 0.00 H new ATOM 0 HB2 SER A 72 -21.378 -4.463 0.605 1.00 0.00 H new ATOM 0 HB3 SER A 72 -20.538 -4.474 2.142 1.00 0.00 H new ATOM 0 HG SER A 72 -19.516 -2.468 0.668 1.00 0.00 H new ATOM 1113 N PRO A 73 -18.181 -7.011 0.487 1.00 0.00 N ATOM 1114 CA PRO A 73 -16.859 -6.433 0.278 1.00 0.00 C ATOM 1115 C PRO A 73 -16.881 -5.040 -0.347 1.00 0.00 C ATOM 1116 O PRO A 73 -17.303 -4.854 -1.484 1.00 0.00 O ATOM 1117 CB PRO A 73 -16.225 -7.464 -0.650 1.00 0.00 C ATOM 1118 CG PRO A 73 -16.840 -8.777 -0.246 1.00 0.00 C ATOM 1119 CD PRO A 73 -18.070 -8.469 0.587 1.00 0.00 C ATOM 0 HA PRO A 73 -16.320 -6.262 1.210 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -16.432 -7.235 -1.695 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -15.141 -7.484 -0.537 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -17.110 -9.361 -1.126 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -16.129 -9.373 0.326 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -18.957 -8.969 0.197 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -17.949 -8.794 1.620 1.00 0.00 H new ATOM 1127 N LYS A 74 -16.430 -4.071 0.439 1.00 0.00 N ATOM 1128 CA LYS A 74 -16.392 -2.667 0.042 1.00 0.00 C ATOM 1129 C LYS A 74 -15.800 -2.420 -1.343 1.00 0.00 C ATOM 1130 O LYS A 74 -15.638 -3.326 -2.156 1.00 0.00 O ATOM 1131 CB LYS A 74 -15.609 -1.867 1.072 1.00 0.00 C ATOM 1132 CG LYS A 74 -16.392 -1.572 2.341 1.00 0.00 C ATOM 1133 CD LYS A 74 -16.660 -2.839 3.138 1.00 0.00 C ATOM 1134 CE LYS A 74 -15.370 -3.456 3.650 1.00 0.00 C ATOM 1135 NZ LYS A 74 -15.573 -4.180 4.936 1.00 0.00 N ATOM 0 H LYS A 74 -16.076 -4.238 1.381 1.00 0.00 H new ATOM 0 HA LYS A 74 -17.431 -2.342 -0.007 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -14.704 -2.415 1.333 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -15.293 -0.925 0.624 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -15.836 -0.865 2.956 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -17.338 -1.096 2.084 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -17.314 -2.610 3.979 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -17.186 -3.560 2.512 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -14.976 -4.146 2.903 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -14.623 -2.674 3.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.669 -4.587 5.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -15.925 -3.517 5.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -16.267 -4.943 4.799 1.00 0.00 H new ATOM 1149 N ARG A 75 -15.528 -1.140 -1.586 1.00 0.00 N ATOM 1150 CA ARG A 75 -15.001 -0.644 -2.854 1.00 0.00 C ATOM 1151 C ARG A 75 -13.505 -0.860 -3.049 1.00 0.00 C ATOM 1152 O ARG A 75 -13.065 -1.210 -4.145 1.00 0.00 O ATOM 1153 CB ARG A 75 -15.264 0.856 -2.947 1.00 0.00 C ATOM 1154 CG ARG A 75 -16.732 1.224 -2.919 1.00 0.00 C ATOM 1155 CD ARG A 75 -16.959 2.568 -2.245 1.00 0.00 C ATOM 1156 NE ARG A 75 -16.469 3.677 -3.059 1.00 0.00 N ATOM 1157 CZ ARG A 75 -16.496 4.946 -2.665 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -16.990 5.263 -1.475 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -16.032 5.899 -3.461 1.00 0.00 N ATOM 0 H ARG A 75 -15.671 -0.405 -0.893 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.512 -1.216 -3.629 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.758 1.356 -2.121 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -14.822 1.236 -3.868 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -17.119 1.257 -3.937 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -17.291 0.452 -2.390 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -18.023 2.702 -2.053 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -16.456 2.578 -1.278 1.00 0.00 H new ATOM 0 HE ARG A 75 -16.085 3.466 -3.980 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -17.350 4.532 -0.861 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -17.010 6.237 -1.174 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -15.654 5.659 -4.377 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -16.053 6.872 -3.157 1.00 0.00 H new ATOM 1173 N TYR A 76 -12.718 -0.565 -2.026 1.00 0.00 N ATOM 1174 CA TYR A 76 -11.271 -0.641 -2.154 1.00 0.00 C ATOM 1175 C TYR A 76 -10.733 -2.054 -2.056 1.00 0.00 C ATOM 1176 O TYR A 76 -11.237 -2.882 -1.304 1.00 0.00 O ATOM 1177 CB TYR A 76 -10.614 0.282 -1.140 1.00 0.00 C ATOM 1178 CG TYR A 76 -11.364 1.578 -1.012 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -12.517 1.787 -1.750 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -10.928 2.584 -0.174 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -13.224 2.956 -1.657 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -11.629 3.773 -0.070 1.00 0.00 C ATOM 1183 CZ TYR A 76 -12.781 3.954 -0.814 1.00 0.00 C ATOM 1184 OH TYR A 76 -13.482 5.133 -0.716 1.00 0.00 O ATOM 0 H TYR A 76 -13.052 -0.274 -1.107 1.00 0.00 H new ATOM 0 HA TYR A 76 -11.016 -0.306 -3.159 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.571 -0.213 -0.170 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.586 0.483 -1.441 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -12.867 1.010 -2.414 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.029 2.442 0.408 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -14.122 3.096 -2.240 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -11.279 4.555 0.588 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.679 5.472 -1.614 1.00 0.00 H new ATOM 1194 N TYR A 77 -9.700 -2.306 -2.850 1.00 0.00 N ATOM 1195 CA TYR A 77 -9.057 -3.621 -2.904 1.00 0.00 C ATOM 1196 C TYR A 77 -7.913 -3.629 -3.917 1.00 0.00 C ATOM 1197 O TYR A 77 -7.997 -2.985 -4.960 1.00 0.00 O ATOM 1198 CB TYR A 77 -10.079 -4.684 -3.296 1.00 0.00 C ATOM 1199 CG TYR A 77 -10.407 -4.674 -4.769 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -11.239 -3.697 -5.304 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -9.882 -5.634 -5.623 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -11.540 -3.673 -6.651 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -10.179 -5.618 -6.975 1.00 0.00 C ATOM 1204 CZ TYR A 77 -11.007 -4.636 -7.483 1.00 0.00 C ATOM 1205 OH TYR A 77 -11.303 -4.619 -8.827 1.00 0.00 O ATOM 0 H TYR A 77 -9.284 -1.613 -3.472 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.654 -3.840 -1.915 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.696 -5.667 -3.022 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.994 -4.528 -2.725 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -11.657 -2.943 -4.654 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.234 -6.403 -5.228 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -12.188 -2.907 -7.050 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.765 -6.370 -7.630 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.552 -4.994 -9.332 1.00 0.00 H new ATOM 1215 N VAL A 78 -6.852 -4.373 -3.618 1.00 0.00 N ATOM 1216 CA VAL A 78 -5.709 -4.460 -4.523 1.00 0.00 C ATOM 1217 C VAL A 78 -5.424 -5.897 -4.930 1.00 0.00 C ATOM 1218 O VAL A 78 -4.505 -6.525 -4.405 1.00 0.00 O ATOM 1219 CB VAL A 78 -4.430 -3.887 -3.893 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -4.658 -2.474 -3.385 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -3.938 -4.795 -2.778 1.00 0.00 C ATOM 0 H VAL A 78 -6.759 -4.921 -2.763 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.982 -3.871 -5.399 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.660 -3.840 -4.663 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.737 -2.093 -2.944 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.956 -1.833 -4.215 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.445 -2.481 -2.631 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.031 -4.376 -2.341 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.707 -4.877 -2.010 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.723 -5.784 -3.183 1.00 0.00 H new ATOM 1231 N ALA A 79 -6.200 -6.412 -5.874 1.00 0.00 N ATOM 1232 CA ALA A 79 -6.006 -7.774 -6.348 1.00 0.00 C ATOM 1233 C ALA A 79 -7.329 -8.516 -6.482 1.00 0.00 C ATOM 1234 O ALA A 79 -7.369 -9.742 -6.379 1.00 0.00 O ATOM 1235 CB ALA A 79 -5.085 -8.533 -5.402 1.00 0.00 C ATOM 0 H ALA A 79 -6.965 -5.910 -6.324 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.549 -7.717 -7.336 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.947 -9.551 -5.767 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.119 -8.031 -5.354 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.529 -8.561 -4.407 1.00 0.00 H new ATOM 1241 N GLU A 80 -8.419 -7.783 -6.687 1.00 0.00 N ATOM 1242 CA GLU A 80 -9.724 -8.420 -6.798 1.00 0.00 C ATOM 1243 C GLU A 80 -9.842 -9.468 -5.702 1.00 0.00 C ATOM 1244 O GLU A 80 -10.628 -10.410 -5.792 1.00 0.00 O ATOM 1245 CB GLU A 80 -9.896 -9.066 -8.174 1.00 0.00 C ATOM 1246 CG GLU A 80 -10.498 -8.135 -9.213 1.00 0.00 C ATOM 1247 CD GLU A 80 -11.679 -8.752 -9.935 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -12.157 -9.817 -9.490 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -12.127 -8.171 -10.946 1.00 0.00 O ATOM 0 H GLU A 80 -8.426 -6.767 -6.778 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.508 -7.672 -6.684 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.925 -9.412 -8.528 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.531 -9.946 -8.076 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.816 -7.212 -8.728 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.733 -7.865 -9.941 1.00 0.00 H new ATOM 1256 N LYS A 81 -9.024 -9.281 -4.674 1.00 0.00 N ATOM 1257 CA LYS A 81 -8.972 -10.182 -3.533 1.00 0.00 C ATOM 1258 C LYS A 81 -9.994 -9.797 -2.473 1.00 0.00 C ATOM 1259 O LYS A 81 -11.052 -10.413 -2.347 1.00 0.00 O ATOM 1260 CB LYS A 81 -7.586 -10.118 -2.900 1.00 0.00 C ATOM 1261 CG LYS A 81 -6.448 -10.531 -3.813 1.00 0.00 C ATOM 1262 CD LYS A 81 -5.103 -10.183 -3.191 1.00 0.00 C ATOM 1263 CE LYS A 81 -4.585 -11.310 -2.314 1.00 0.00 C ATOM 1264 NZ LYS A 81 -4.348 -10.859 -0.915 1.00 0.00 N ATOM 0 H LYS A 81 -8.376 -8.496 -4.609 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.194 -11.187 -3.893 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.406 -9.099 -2.557 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.575 -10.758 -2.018 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.499 -11.603 -4.003 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.549 -10.031 -4.776 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -4.380 -9.973 -3.979 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.200 -9.274 -2.597 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.303 -12.130 -2.315 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.657 -11.699 -2.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.244 -11.688 -0.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.480 -10.287 -0.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.154 -10.286 -0.594 1.00 0.00 H new ATOM 1278 N TYR A 82 -9.647 -8.766 -1.711 1.00 0.00 N ATOM 1279 CA TYR A 82 -10.495 -8.265 -0.643 1.00 0.00 C ATOM 1280 C TYR A 82 -10.740 -6.781 -0.830 1.00 0.00 C ATOM 1281 O TYR A 82 -9.801 -6.010 -1.028 1.00 0.00 O ATOM 1282 CB TYR A 82 -9.842 -8.489 0.725 1.00 0.00 C ATOM 1283 CG TYR A 82 -8.920 -9.683 0.794 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -7.929 -9.877 -0.155 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -9.036 -10.609 1.820 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -7.077 -10.960 -0.087 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -8.190 -11.697 1.896 1.00 0.00 C ATOM 1288 CZ TYR A 82 -7.211 -11.869 0.940 1.00 0.00 C ATOM 1289 OH TYR A 82 -6.363 -12.951 1.013 1.00 0.00 O ATOM 0 H TYR A 82 -8.770 -8.256 -1.818 1.00 0.00 H new ATOM 0 HA TYR A 82 -11.439 -8.808 -0.681 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -9.279 -7.596 0.995 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -10.627 -8.609 1.472 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.822 -9.168 -0.962 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -9.800 -10.477 2.571 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.309 -11.095 -0.835 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -8.294 -12.410 2.700 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.591 -13.493 1.797 1.00 0.00 H new ATOM 1299 N VAL A 83 -11.994 -6.375 -0.753 1.00 0.00 N ATOM 1300 CA VAL A 83 -12.324 -4.973 -0.903 1.00 0.00 C ATOM 1301 C VAL A 83 -12.710 -4.367 0.429 1.00 0.00 C ATOM 1302 O VAL A 83 -13.261 -5.042 1.299 1.00 0.00 O ATOM 1303 CB VAL A 83 -13.458 -4.750 -1.911 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -12.989 -5.066 -3.320 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -14.665 -5.585 -1.533 1.00 0.00 C ATOM 0 H VAL A 83 -12.792 -6.989 -0.589 1.00 0.00 H new ATOM 0 HA VAL A 83 -11.429 -4.480 -1.284 1.00 0.00 H new ATOM 0 HB VAL A 83 -13.750 -3.700 -1.886 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.807 -4.902 -4.021 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -12.153 -4.416 -3.579 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.670 -6.107 -3.372 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -15.464 -5.418 -2.256 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -14.391 -6.640 -1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -15.009 -5.298 -0.539 1.00 0.00 H new ATOM 1315 N PHE A 84 -12.411 -3.090 0.583 1.00 0.00 N ATOM 1316 CA PHE A 84 -12.718 -2.389 1.808 1.00 0.00 C ATOM 1317 C PHE A 84 -13.174 -0.968 1.500 1.00 0.00 C ATOM 1318 O PHE A 84 -13.021 -0.485 0.374 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.498 -2.393 2.730 1.00 0.00 C ATOM 1320 CG PHE A 84 -10.826 -3.738 2.807 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -9.842 -4.090 1.895 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -11.186 -4.655 3.783 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -9.227 -5.328 1.957 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -10.576 -5.896 3.848 1.00 0.00 C ATOM 1325 CZ PHE A 84 -9.595 -6.233 2.934 1.00 0.00 C ATOM 0 H PHE A 84 -11.955 -2.519 -0.129 1.00 0.00 H new ATOM 0 HA PHE A 84 -13.533 -2.899 2.321 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.780 -1.653 2.377 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -11.804 -2.088 3.731 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -9.552 -3.389 1.127 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -11.951 -4.398 4.501 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -8.460 -5.587 1.242 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -10.866 -6.601 4.613 1.00 0.00 H new ATOM 0 HZ PHE A 84 -9.118 -7.201 2.984 1.00 0.00 H new ATOM 1335 N ASP A 85 -13.748 -0.312 2.496 1.00 0.00 N ATOM 1336 CA ASP A 85 -14.242 1.046 2.328 1.00 0.00 C ATOM 1337 C ASP A 85 -13.188 2.060 2.744 1.00 0.00 C ATOM 1338 O ASP A 85 -13.500 3.222 3.005 1.00 0.00 O ATOM 1339 CB ASP A 85 -15.516 1.254 3.149 1.00 0.00 C ATOM 1340 CG ASP A 85 -15.820 2.721 3.384 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -16.436 3.349 2.498 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -15.441 3.241 4.455 1.00 0.00 O ATOM 0 H ASP A 85 -13.884 -0.698 3.430 1.00 0.00 H new ATOM 0 HA ASP A 85 -14.470 1.195 1.273 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -16.357 0.790 2.634 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -15.412 0.749 4.109 1.00 0.00 H new ATOM 1347 N SER A 86 -11.935 1.620 2.806 1.00 0.00 N ATOM 1348 CA SER A 86 -10.848 2.506 3.193 1.00 0.00 C ATOM 1349 C SER A 86 -9.491 1.804 3.138 1.00 0.00 C ATOM 1350 O SER A 86 -9.357 0.612 3.463 1.00 0.00 O ATOM 1351 CB SER A 86 -11.096 3.060 4.595 1.00 0.00 C ATOM 1352 OG SER A 86 -9.897 3.097 5.344 1.00 0.00 O ATOM 0 H SER A 86 -11.651 0.663 2.595 1.00 0.00 H new ATOM 0 HA SER A 86 -10.822 3.327 2.477 1.00 0.00 H new ATOM 0 HB2 SER A 86 -11.516 4.063 4.525 1.00 0.00 H new ATOM 0 HB3 SER A 86 -11.832 2.442 5.109 1.00 0.00 H new ATOM 0 HG SER A 86 -9.935 3.837 5.986 1.00 0.00 H new ATOM 1358 N ILE A 87 -8.484 2.565 2.721 1.00 0.00 N ATOM 1359 CA ILE A 87 -7.131 2.052 2.611 1.00 0.00 C ATOM 1360 C ILE A 87 -6.664 1.438 3.926 1.00 0.00 C ATOM 1361 O ILE A 87 -6.170 0.320 3.941 1.00 0.00 O ATOM 1362 CB ILE A 87 -6.132 3.145 2.201 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -6.212 3.453 0.705 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.722 2.715 2.562 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -7.396 2.832 -0.001 1.00 0.00 C ATOM 0 H ILE A 87 -8.585 3.544 2.453 1.00 0.00 H new ATOM 0 HA ILE A 87 -7.159 1.287 1.835 1.00 0.00 H new ATOM 0 HB ILE A 87 -6.392 4.054 2.743 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -6.251 4.534 0.571 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.297 3.106 0.226 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.018 3.494 2.269 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.656 2.552 3.638 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.478 1.790 2.039 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.373 3.102 -1.057 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.350 1.747 0.097 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.320 3.198 0.447 1.00 0.00 H new ATOM 1377 N PRO A 88 -6.805 2.155 5.059 1.00 0.00 N ATOM 1378 CA PRO A 88 -6.373 1.638 6.357 1.00 0.00 C ATOM 1379 C PRO A 88 -6.955 0.263 6.621 1.00 0.00 C ATOM 1380 O PRO A 88 -6.229 -0.669 6.963 1.00 0.00 O ATOM 1381 CB PRO A 88 -6.904 2.657 7.371 1.00 0.00 C ATOM 1382 CG PRO A 88 -7.811 3.567 6.604 1.00 0.00 C ATOM 1383 CD PRO A 88 -7.375 3.500 5.166 1.00 0.00 C ATOM 0 HA PRO A 88 -5.291 1.520 6.412 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.442 2.160 8.179 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.087 3.215 7.828 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -8.850 3.255 6.708 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -7.745 4.587 6.981 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.213 3.639 4.483 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -6.640 4.270 4.930 1.00 0.00 H new ATOM 1391 N LEU A 89 -8.257 0.121 6.413 1.00 0.00 N ATOM 1392 CA LEU A 89 -8.895 -1.173 6.583 1.00 0.00 C ATOM 1393 C LEU A 89 -8.311 -2.114 5.545 1.00 0.00 C ATOM 1394 O LEU A 89 -7.780 -3.189 5.867 1.00 0.00 O ATOM 1395 CB LEU A 89 -10.418 -1.079 6.416 1.00 0.00 C ATOM 1396 CG LEU A 89 -10.932 0.197 5.747 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -12.120 -0.114 4.852 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -11.307 1.231 6.798 1.00 0.00 C ATOM 0 H LEU A 89 -8.883 0.875 6.130 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.708 -1.541 7.592 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.755 -1.935 5.832 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.879 -1.163 7.400 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.136 0.610 5.127 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.473 0.805 4.384 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.818 -0.822 4.080 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.922 -0.548 5.449 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.671 2.133 6.307 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.089 0.828 7.442 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.431 1.473 7.399 1.00 0.00 H new ATOM 1410 N LEU A 90 -8.369 -1.674 4.287 1.00 0.00 N ATOM 1411 CA LEU A 90 -7.807 -2.455 3.204 1.00 0.00 C ATOM 1412 C LEU A 90 -6.331 -2.710 3.486 1.00 0.00 C ATOM 1413 O LEU A 90 -5.794 -3.768 3.160 1.00 0.00 O ATOM 1414 CB LEU A 90 -7.993 -1.732 1.871 1.00 0.00 C ATOM 1415 CG LEU A 90 -7.643 -2.562 0.638 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -8.606 -2.257 -0.498 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -6.206 -2.303 0.215 1.00 0.00 C ATOM 0 H LEU A 90 -8.795 -0.792 4.003 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.326 -3.411 3.136 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.031 -1.408 1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.378 -0.832 1.873 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.738 -3.618 0.890 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.343 -2.857 -1.369 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.623 -2.496 -0.187 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.544 -1.199 -0.754 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.972 -2.902 -0.665 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.081 -1.246 -0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.533 -2.575 1.028 1.00 0.00 H new ATOM 1429 N ILE A 91 -5.693 -1.738 4.140 1.00 0.00 N ATOM 1430 CA ILE A 91 -4.295 -1.859 4.524 1.00 0.00 C ATOM 1431 C ILE A 91 -4.214 -2.719 5.768 1.00 0.00 C ATOM 1432 O ILE A 91 -3.271 -3.487 5.960 1.00 0.00 O ATOM 1433 CB ILE A 91 -3.639 -0.487 4.814 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -3.670 0.388 3.565 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -2.200 -0.664 5.299 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -2.924 -0.217 2.404 1.00 0.00 C ATOM 0 H ILE A 91 -6.128 -0.857 4.413 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.754 -2.308 3.691 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.209 0.004 5.603 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.706 0.560 3.274 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.239 1.361 3.799 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.760 0.313 5.496 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.195 -1.256 6.214 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.618 -1.176 4.533 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.982 0.452 1.546 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.880 -0.364 2.679 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.370 -1.178 2.146 1.00 0.00 H new ATOM 1448 N GLN A 92 -5.245 -2.595 6.597 1.00 0.00 N ATOM 1449 CA GLN A 92 -5.342 -3.369 7.818 1.00 0.00 C ATOM 1450 C GLN A 92 -5.454 -4.840 7.466 1.00 0.00 C ATOM 1451 O GLN A 92 -4.868 -5.695 8.128 1.00 0.00 O ATOM 1452 CB GLN A 92 -6.555 -2.928 8.642 1.00 0.00 C ATOM 1453 CG GLN A 92 -6.321 -1.651 9.431 1.00 0.00 C ATOM 1454 CD GLN A 92 -4.854 -1.283 9.524 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -4.271 -0.881 8.400 1.00 0.00 O flip ATOM 1456 NE2 GLN A 92 -4.249 -1.358 10.594 1.00 0.00 N flip ATOM 0 H GLN A 92 -6.027 -1.960 6.439 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.448 -3.204 8.419 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -7.404 -2.782 7.974 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.825 -3.727 9.332 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -6.868 -0.833 8.962 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -6.726 -1.770 10.436 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -4.735 -1.672 11.434 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -3.262 -1.106 10.640 1.00 0.00 H new ATOM 1465 N TYR A 93 -6.193 -5.131 6.393 1.00 0.00 N ATOM 1466 CA TYR A 93 -6.344 -6.504 5.947 1.00 0.00 C ATOM 1467 C TYR A 93 -5.040 -6.986 5.320 1.00 0.00 C ATOM 1468 O TYR A 93 -4.689 -8.162 5.413 1.00 0.00 O ATOM 1469 CB TYR A 93 -7.491 -6.620 4.945 1.00 0.00 C ATOM 1470 CG TYR A 93 -7.073 -7.212 3.622 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -6.845 -8.575 3.491 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -6.902 -6.407 2.507 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -6.458 -9.119 2.283 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -6.517 -6.942 1.295 1.00 0.00 C ATOM 1475 CZ TYR A 93 -6.296 -8.299 1.187 1.00 0.00 C ATOM 1476 OH TYR A 93 -5.910 -8.839 -0.018 1.00 0.00 O ATOM 0 H TYR A 93 -6.687 -4.440 5.828 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.580 -7.131 6.807 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.280 -7.235 5.377 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -7.916 -5.631 4.774 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.972 -9.220 4.348 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.073 -5.344 2.588 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.283 -10.181 2.197 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.389 -6.301 0.435 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.577 -9.494 -0.312 1.00 0.00 H new ATOM 1486 N HIS A 94 -4.312 -6.059 4.695 1.00 0.00 N ATOM 1487 CA HIS A 94 -3.034 -6.378 4.071 1.00 0.00 C ATOM 1488 C HIS A 94 -1.925 -6.391 5.119 1.00 0.00 C ATOM 1489 O HIS A 94 -0.870 -6.990 4.917 1.00 0.00 O ATOM 1490 CB HIS A 94 -2.710 -5.366 2.972 1.00 0.00 C ATOM 1491 CG HIS A 94 -3.058 -5.833 1.595 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -4.048 -6.754 1.341 1.00 0.00 N ATOM 1493 CD2 HIS A 94 -2.552 -5.484 0.389 1.00 0.00 C ATOM 1494 CE1 HIS A 94 -4.139 -6.951 0.038 1.00 0.00 C ATOM 1495 NE2 HIS A 94 -3.241 -6.192 -0.563 1.00 0.00 N ATOM 0 H HIS A 94 -4.589 -5.081 4.609 1.00 0.00 H new ATOM 0 HA HIS A 94 -3.104 -7.368 3.621 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -3.245 -4.439 3.176 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.646 -5.134 3.008 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -4.622 -7.213 2.048 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -1.754 -4.779 0.209 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -4.831 -7.620 -0.453 1.00 0.00 H new ATOM 1504 N GLN A 95 -2.181 -5.724 6.241 1.00 0.00 N ATOM 1505 CA GLN A 95 -1.217 -5.654 7.333 1.00 0.00 C ATOM 1506 C GLN A 95 -1.291 -6.904 8.202 1.00 0.00 C ATOM 1507 O GLN A 95 -0.272 -7.522 8.511 1.00 0.00 O ATOM 1508 CB GLN A 95 -1.479 -4.415 8.190 1.00 0.00 C ATOM 1509 CG GLN A 95 -0.455 -3.309 7.998 1.00 0.00 C ATOM 1510 CD GLN A 95 -0.399 -2.355 9.175 1.00 0.00 C ATOM 1511 OE1 GLN A 95 -0.446 -2.775 10.331 1.00 0.00 O ATOM 1512 NE2 GLN A 95 -0.299 -1.063 8.885 1.00 0.00 N ATOM 0 H GLN A 95 -3.052 -5.223 6.417 1.00 0.00 H new ATOM 0 HA GLN A 95 -0.219 -5.588 6.900 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -2.469 -4.025 7.955 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -1.492 -4.707 9.240 1.00 0.00 H new ATOM 0 HG2 GLN A 95 0.529 -3.752 7.847 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -0.695 -2.750 7.093 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -0.263 -0.760 7.912 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.258 -0.374 9.636 1.00 0.00 H new ATOM 1521 N TYR A 96 -2.506 -7.269 8.598 1.00 0.00 N ATOM 1522 CA TYR A 96 -2.721 -8.441 9.437 1.00 0.00 C ATOM 1523 C TYR A 96 -3.109 -9.653 8.597 1.00 0.00 C ATOM 1524 O TYR A 96 -2.264 -10.483 8.258 1.00 0.00 O ATOM 1525 CB TYR A 96 -3.811 -8.156 10.470 1.00 0.00 C ATOM 1526 CG TYR A 96 -3.309 -7.421 11.692 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -2.857 -6.112 11.599 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -3.289 -8.036 12.937 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -2.396 -5.435 12.712 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -2.831 -7.366 14.056 1.00 0.00 C ATOM 1531 CZ TYR A 96 -2.387 -6.066 13.938 1.00 0.00 C ATOM 1532 OH TYR A 96 -1.930 -5.395 15.049 1.00 0.00 O ATOM 0 H TYR A 96 -3.359 -6.768 8.350 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.786 -8.664 9.951 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.600 -7.568 10.001 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -4.260 -9.099 10.782 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -2.866 -5.614 10.641 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -3.637 -9.054 13.032 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -2.045 -4.418 12.622 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -2.821 -7.858 15.017 1.00 0.00 H new ATOM 0 HH TYR A 96 -1.991 -5.980 15.833 1.00 0.00 H new ATOM 1542 N ASN A 97 -4.393 -9.750 8.269 1.00 0.00 N ATOM 1543 CA ASN A 97 -4.900 -10.862 7.472 1.00 0.00 C ATOM 1544 C ASN A 97 -3.761 -11.600 6.776 1.00 0.00 C ATOM 1545 O ASN A 97 -3.377 -12.695 7.185 1.00 0.00 O ATOM 1546 CB ASN A 97 -5.906 -10.357 6.436 1.00 0.00 C ATOM 1547 CG ASN A 97 -7.318 -10.828 6.724 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -7.797 -11.791 6.124 1.00 0.00 O ATOM 1549 ND2 ASN A 97 -7.992 -10.150 7.645 1.00 0.00 N ATOM 0 H ASN A 97 -5.103 -9.071 8.543 1.00 0.00 H new ATOM 0 HA ASN A 97 -5.400 -11.559 8.145 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.886 -9.267 6.416 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.606 -10.700 5.446 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -8.947 -10.421 7.881 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -7.555 -9.358 8.117 1.00 0.00 H new ATOM 1556 N GLY A 98 -3.226 -10.993 5.722 1.00 0.00 N ATOM 1557 CA GLY A 98 -2.137 -11.609 4.987 1.00 0.00 C ATOM 1558 C GLY A 98 -2.471 -11.814 3.522 1.00 0.00 C ATOM 1559 O GLY A 98 -2.101 -12.828 2.930 1.00 0.00 O ATOM 0 H GLY A 98 -3.527 -10.086 5.364 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.247 -10.985 5.070 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.895 -12.571 5.440 1.00 0.00 H new ATOM 1563 N GLY A 99 -3.172 -10.848 2.937 1.00 0.00 N ATOM 1564 CA GLY A 99 -3.545 -10.945 1.539 1.00 0.00 C ATOM 1565 C GLY A 99 -2.720 -11.969 0.786 1.00 0.00 C ATOM 1566 O GLY A 99 -3.232 -13.012 0.380 1.00 0.00 O ATOM 0 H GLY A 99 -3.488 -10.000 3.407 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.600 -11.209 1.466 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.427 -9.970 1.067 1.00 0.00 H new ATOM 1570 N GLY A 100 -1.439 -11.670 0.598 1.00 0.00 N ATOM 1571 CA GLY A 100 -0.561 -12.581 -0.112 1.00 0.00 C ATOM 1572 C GLY A 100 0.397 -11.857 -1.037 1.00 0.00 C ATOM 1573 O GLY A 100 1.157 -12.487 -1.772 1.00 0.00 O ATOM 0 H GLY A 100 -0.993 -10.813 0.925 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.008 -13.168 0.609 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -1.161 -13.282 -0.692 1.00 0.00 H new ATOM 1577 N LEU A 101 0.359 -10.529 -1.001 1.00 0.00 N ATOM 1578 CA LEU A 101 1.230 -9.716 -1.841 1.00 0.00 C ATOM 1579 C LEU A 101 2.693 -9.927 -1.467 1.00 0.00 C ATOM 1580 O LEU A 101 3.037 -10.907 -0.805 1.00 0.00 O ATOM 1581 CB LEU A 101 0.870 -8.235 -1.702 1.00 0.00 C ATOM 1582 CG LEU A 101 -0.546 -7.864 -2.146 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -1.580 -8.666 -1.371 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -0.780 -6.373 -1.966 1.00 0.00 C ATOM 0 H LEU A 101 -0.266 -9.993 -0.399 1.00 0.00 H new ATOM 0 HA LEU A 101 1.086 -10.024 -2.877 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.994 -7.944 -0.659 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.581 -7.649 -2.284 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.652 -8.107 -3.203 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.580 -8.387 -1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.423 -9.730 -1.548 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.479 -8.457 -0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.791 -6.122 -2.286 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.656 -6.109 -0.916 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.061 -5.817 -2.567 1.00 0.00 H new ATOM 1596 N VAL A 102 3.548 -9.002 -1.889 1.00 0.00 N ATOM 1597 CA VAL A 102 4.971 -9.091 -1.588 1.00 0.00 C ATOM 1598 C VAL A 102 5.190 -9.589 -0.165 1.00 0.00 C ATOM 1599 O VAL A 102 6.202 -10.222 0.136 1.00 0.00 O ATOM 1600 CB VAL A 102 5.671 -7.730 -1.761 1.00 0.00 C ATOM 1601 CG1 VAL A 102 5.190 -7.036 -3.025 1.00 0.00 C ATOM 1602 CG2 VAL A 102 5.440 -6.852 -0.539 1.00 0.00 C ATOM 0 H VAL A 102 3.281 -8.185 -2.438 1.00 0.00 H new ATOM 0 HA VAL A 102 5.405 -9.800 -2.294 1.00 0.00 H new ATOM 0 HB VAL A 102 6.743 -7.904 -1.858 1.00 0.00 H new ATOM 0 HG11 VAL A 102 5.697 -6.076 -3.129 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.414 -7.660 -3.890 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.114 -6.873 -2.964 1.00 0.00 H new ATOM 0 HG21 VAL A 102 5.942 -5.895 -0.679 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.371 -6.686 -0.407 1.00 0.00 H new ATOM 0 HG23 VAL A 102 5.842 -7.346 0.345 1.00 0.00 H new ATOM 1612 N THR A 103 4.228 -9.299 0.706 1.00 0.00 N ATOM 1613 CA THR A 103 4.303 -9.717 2.100 1.00 0.00 C ATOM 1614 C THR A 103 3.205 -9.053 2.928 1.00 0.00 C ATOM 1615 O THR A 103 3.383 -8.795 4.117 1.00 0.00 O ATOM 1616 CB THR A 103 5.679 -9.388 2.686 1.00 0.00 C ATOM 1617 OG1 THR A 103 5.603 -9.253 4.093 1.00 0.00 O ATOM 1618 CG2 THR A 103 6.283 -8.115 2.133 1.00 0.00 C ATOM 0 H THR A 103 3.386 -8.775 0.469 1.00 0.00 H new ATOM 0 HA THR A 103 4.155 -10.796 2.137 1.00 0.00 H new ATOM 0 HB THR A 103 6.319 -10.223 2.401 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.678 -9.392 4.385 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.257 -7.945 2.593 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.402 -8.208 1.054 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.625 -7.274 2.354 1.00 0.00 H new ATOM 1626 N ARG A 104 2.069 -8.786 2.286 1.00 0.00 N ATOM 1627 CA ARG A 104 0.929 -8.159 2.953 1.00 0.00 C ATOM 1628 C ARG A 104 1.385 -7.146 4.000 1.00 0.00 C ATOM 1629 O ARG A 104 1.999 -7.511 5.002 1.00 0.00 O ATOM 1630 CB ARG A 104 0.047 -9.224 3.606 1.00 0.00 C ATOM 1631 CG ARG A 104 0.785 -10.096 4.608 1.00 0.00 C ATOM 1632 CD ARG A 104 0.314 -9.835 6.029 1.00 0.00 C ATOM 1633 NE ARG A 104 0.150 -11.072 6.788 1.00 0.00 N ATOM 1634 CZ ARG A 104 0.488 -11.202 8.067 1.00 0.00 C ATOM 1635 NH1 ARG A 104 1.003 -10.174 8.727 1.00 0.00 N ATOM 1636 NH2 ARG A 104 0.312 -12.361 8.686 1.00 0.00 N ATOM 0 H ARG A 104 1.913 -8.995 1.300 1.00 0.00 H new ATOM 0 HA ARG A 104 0.351 -7.627 2.197 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -0.787 -8.734 4.108 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -0.378 -9.859 2.828 1.00 0.00 H new ATOM 0 HG2 ARG A 104 0.631 -11.146 4.360 1.00 0.00 H new ATOM 0 HG3 ARG A 104 1.856 -9.905 4.538 1.00 0.00 H new ATOM 0 HD2 ARG A 104 1.032 -9.191 6.536 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -0.634 -9.297 6.004 1.00 0.00 H new ATOM 0 HE ARG A 104 -0.246 -11.881 6.310 1.00 0.00 H new ATOM 0 HH11 ARG A 104 1.141 -9.281 8.253 1.00 0.00 H new ATOM 0 HH12 ARG A 104 1.262 -10.276 9.708 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -0.083 -13.154 8.181 1.00 0.00 H new ATOM 0 HH22 ARG A 104 0.572 -12.460 9.667 1.00 0.00 H new ATOM 1650 N LEU A 105 1.077 -5.871 3.762 1.00 0.00 N ATOM 1651 CA LEU A 105 1.456 -4.806 4.687 1.00 0.00 C ATOM 1652 C LEU A 105 2.261 -5.346 5.860 1.00 0.00 C ATOM 1653 O LEU A 105 1.831 -5.270 7.011 1.00 0.00 O ATOM 1654 CB LEU A 105 0.222 -4.060 5.201 1.00 0.00 C ATOM 1655 CG LEU A 105 -0.329 -3.000 4.259 1.00 0.00 C ATOM 1656 CD1 LEU A 105 0.468 -2.969 2.974 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -1.793 -3.244 3.976 1.00 0.00 C ATOM 0 H LEU A 105 0.567 -5.552 2.938 1.00 0.00 H new ATOM 0 HA LEU A 105 2.084 -4.108 4.133 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.564 -4.787 5.405 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.472 -3.586 6.150 1.00 0.00 H new ATOM 0 HG LEU A 105 -0.236 -2.028 4.744 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.061 -2.205 2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.509 -2.738 3.197 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.409 -3.942 2.486 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.166 -2.474 3.300 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.916 -4.223 3.514 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.355 -3.211 4.910 1.00 0.00 H new ATOM 1669 N ARG A 106 3.439 -5.878 5.562 1.00 0.00 N ATOM 1670 CA ARG A 106 4.312 -6.415 6.594 1.00 0.00 C ATOM 1671 C ARG A 106 4.727 -5.310 7.553 1.00 0.00 C ATOM 1672 O ARG A 106 4.867 -5.533 8.756 1.00 0.00 O ATOM 1673 CB ARG A 106 5.554 -7.041 5.963 1.00 0.00 C ATOM 1674 CG ARG A 106 6.404 -7.829 6.946 1.00 0.00 C ATOM 1675 CD ARG A 106 7.333 -8.797 6.232 1.00 0.00 C ATOM 1676 NE ARG A 106 7.141 -10.173 6.679 1.00 0.00 N ATOM 1677 CZ ARG A 106 5.953 -10.768 6.745 1.00 0.00 C ATOM 1678 NH1 ARG A 106 4.857 -10.108 6.394 1.00 0.00 N ATOM 1679 NH2 ARG A 106 5.860 -12.023 7.162 1.00 0.00 N ATOM 0 H ARG A 106 3.811 -5.949 4.615 1.00 0.00 H new ATOM 0 HA ARG A 106 3.768 -7.183 7.145 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.246 -7.701 5.152 1.00 0.00 H new ATOM 0 HB3 ARG A 106 6.163 -6.253 5.520 1.00 0.00 H new ATOM 0 HG2 ARG A 106 6.992 -7.140 7.553 1.00 0.00 H new ATOM 0 HG3 ARG A 106 5.756 -8.381 7.627 1.00 0.00 H new ATOM 0 HD2 ARG A 106 7.161 -8.738 5.157 1.00 0.00 H new ATOM 0 HD3 ARG A 106 8.368 -8.501 6.406 1.00 0.00 H new ATOM 0 HE ARG A 106 7.964 -10.708 6.956 1.00 0.00 H new ATOM 0 HH11 ARG A 106 4.924 -9.142 6.073 1.00 0.00 H new ATOM 0 HH12 ARG A 106 3.947 -10.566 6.445 1.00 0.00 H new ATOM 0 HH21 ARG A 106 6.700 -12.534 7.433 1.00 0.00 H new ATOM 0 HH22 ARG A 106 4.948 -12.478 7.212 1.00 0.00 H new ATOM 1693 N TYR A 107 4.924 -4.116 7.006 1.00 0.00 N ATOM 1694 CA TYR A 107 5.326 -2.967 7.805 1.00 0.00 C ATOM 1695 C TYR A 107 5.342 -1.699 6.961 1.00 0.00 C ATOM 1696 O TYR A 107 6.270 -1.465 6.187 1.00 0.00 O ATOM 1697 CB TYR A 107 6.705 -3.200 8.412 1.00 0.00 C ATOM 1698 CG TYR A 107 7.227 -1.998 9.155 1.00 0.00 C ATOM 1699 CD1 TYR A 107 6.565 -1.507 10.270 1.00 0.00 C ATOM 1700 CD2 TYR A 107 8.373 -1.349 8.732 1.00 0.00 C ATOM 1701 CE1 TYR A 107 7.035 -0.399 10.945 1.00 0.00 C ATOM 1702 CE2 TYR A 107 8.853 -0.239 9.399 1.00 0.00 C ATOM 1703 CZ TYR A 107 8.181 0.233 10.507 1.00 0.00 C ATOM 1704 OH TYR A 107 8.652 1.339 11.176 1.00 0.00 O ATOM 0 H TYR A 107 4.811 -3.919 6.011 1.00 0.00 H new ATOM 0 HA TYR A 107 4.599 -2.842 8.607 1.00 0.00 H new ATOM 0 HB2 TYR A 107 6.658 -4.050 9.093 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.406 -3.464 7.620 1.00 0.00 H new ATOM 0 HD1 TYR A 107 5.668 -1.999 10.615 1.00 0.00 H new ATOM 0 HD2 TYR A 107 8.902 -1.717 7.865 1.00 0.00 H new ATOM 0 HE1 TYR A 107 6.508 -0.028 11.812 1.00 0.00 H new ATOM 0 HE2 TYR A 107 9.749 0.256 9.055 1.00 0.00 H new ATOM 0 HH TYR A 107 8.151 2.132 10.891 1.00 0.00 H new ATOM 1714 N PRO A 108 4.307 -0.864 7.093 1.00 0.00 N ATOM 1715 CA PRO A 108 4.198 0.383 6.333 1.00 0.00 C ATOM 1716 C PRO A 108 5.391 1.319 6.548 1.00 0.00 C ATOM 1717 O PRO A 108 6.007 1.323 7.613 1.00 0.00 O ATOM 1718 CB PRO A 108 2.905 1.015 6.864 1.00 0.00 C ATOM 1719 CG PRO A 108 2.619 0.317 8.149 1.00 0.00 C ATOM 1720 CD PRO A 108 3.154 -1.071 7.979 1.00 0.00 C ATOM 0 HA PRO A 108 4.187 0.200 5.259 1.00 0.00 H new ATOM 0 HB2 PRO A 108 3.027 2.087 7.018 1.00 0.00 H new ATOM 0 HB3 PRO A 108 2.086 0.886 6.157 1.00 0.00 H new ATOM 0 HG2 PRO A 108 3.100 0.823 8.986 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.549 0.302 8.358 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.449 -1.511 8.932 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.416 -1.738 7.534 1.00 0.00 H new ATOM 1728 N VAL A 109 5.710 2.109 5.520 1.00 0.00 N ATOM 1729 CA VAL A 109 6.819 3.049 5.573 1.00 0.00 C ATOM 1730 C VAL A 109 6.338 4.469 5.307 1.00 0.00 C ATOM 1731 O VAL A 109 5.300 4.674 4.676 1.00 0.00 O ATOM 1732 CB VAL A 109 7.892 2.708 4.527 1.00 0.00 C ATOM 1733 CG1 VAL A 109 8.713 1.502 4.955 1.00 0.00 C ATOM 1734 CG2 VAL A 109 7.250 2.480 3.165 1.00 0.00 C ATOM 0 H VAL A 109 5.206 2.111 4.633 1.00 0.00 H new ATOM 0 HA VAL A 109 7.245 2.977 6.574 1.00 0.00 H new ATOM 0 HB VAL A 109 8.573 3.555 4.447 1.00 0.00 H new ATOM 0 HG11 VAL A 109 9.464 1.285 4.195 1.00 0.00 H new ATOM 0 HG12 VAL A 109 9.207 1.716 5.903 1.00 0.00 H new ATOM 0 HG13 VAL A 109 8.057 0.639 5.074 1.00 0.00 H new ATOM 0 HG21 VAL A 109 8.022 2.239 2.434 1.00 0.00 H new ATOM 0 HG22 VAL A 109 6.542 1.654 3.230 1.00 0.00 H new ATOM 0 HG23 VAL A 109 6.725 3.383 2.854 1.00 0.00 H new ATOM 1744 N CYS A 110 7.099 5.449 5.777 1.00 0.00 N ATOM 1745 CA CYS A 110 6.748 6.847 5.573 1.00 0.00 C ATOM 1746 C CYS A 110 7.992 7.685 5.301 1.00 0.00 C ATOM 1747 O CYS A 110 8.593 8.242 6.220 1.00 0.00 O ATOM 1748 CB CYS A 110 6.001 7.393 6.791 1.00 0.00 C ATOM 1749 SG CYS A 110 6.408 9.105 7.203 1.00 0.00 S ATOM 0 H CYS A 110 7.962 5.301 6.301 1.00 0.00 H new ATOM 0 HA CYS A 110 6.095 6.909 4.703 1.00 0.00 H new ATOM 0 HB2 CYS A 110 4.929 7.320 6.609 1.00 0.00 H new ATOM 0 HB3 CYS A 110 6.222 6.762 7.652 1.00 0.00 H new ATOM 0 HG CYS A 110 7.698 9.261 7.184 1.00 0.00 H new ATOM 1755 N GLY A 111 8.372 7.766 4.032 1.00 0.00 N ATOM 1756 CA GLY A 111 9.542 8.537 3.654 1.00 0.00 C ATOM 1757 C GLY A 111 10.829 7.748 3.802 1.00 0.00 C ATOM 1758 O GLY A 111 10.824 6.634 4.329 1.00 0.00 O ATOM 0 H GLY A 111 7.890 7.311 3.256 1.00 0.00 H new ATOM 0 HA2 GLY A 111 9.438 8.866 2.620 1.00 0.00 H new ATOM 0 HA3 GLY A 111 9.597 9.434 4.270 1.00 0.00 H new HETATM 1762 N NH2 A 112 11.937 8.315 3.339 1.00 0.00 N TER 1765 NH2 A 112