USER MOD reduce.3.24.130724 H: found=0, std=0, add=1041, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 1042 hydrogens (27 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 114 SER OG : rot 120:sc= 0.0421 USER MOD Set 1.2: A 116 THR OG1 : rot 180:sc= 0.0415 USER MOD Set 2.1: A 7 GLN : amide:sc= -0.911 K(o=-2.1,f=0.23) USER MOD Set 2.2: A 96 ASN : amide:sc= -1.18 K(o=-2.1,f=-4.4) USER MOD Set 3.1: A 50 THR OG1 : rot 180:sc= -1.14 USER MOD Set 3.2: A 98 GLN : amide:sc= -2.07 K(o=-3.2,f=-2.4!) USER MOD Single : A 3 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.29) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -2.85 X(o=-2.8,f=-3.2!) USER MOD Single : A 11 TYR OH : rot 180:sc= -1.02 USER MOD Single : A 14 GLN : amide:sc= -0.178 X(o=-0.18,f=-0.65) USER MOD Single : A 16 LYS NZ :NH3+ -166:sc= -7.81! (180deg=-8.03!) USER MOD Single : A 17 GLN : amide:sc= -0.21 K(o=-0.21,f=-0.77) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -163:sc= -0.0212 (180deg=-0.403) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.371 USER MOD Single : A 42 CYS SG : rot -1:sc= -1.43! USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 75:sc= 0.214 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.151 K(o=-0.15,f=-1.8) USER MOD Single : A 69 THR OG1 : rot -83:sc= 0.601 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 54:sc= 0.00451 USER MOD Single : A 84 ASN : amide:sc=-0.000926 K(o=-0.00093,f=-0.87) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 MET CE :methyl 157:sc= -0.128 (180deg=-0.871) USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -1.26 K(o=-1.3,f=-0.02) USER MOD Single : A 115 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 120 HIS : no HD1:sc= -0.0147 X(o=-0.015,f=-0.015) USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 122 HIS : no HD1:sc= -0.0539 X(o=-0.054,f=-0.17) USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 125 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- HETATM 1 C1 MYR A 1 117.239 10.829 -0.576 1.00 0.00 C HETATM 2 O1 MYR A 1 116.760 11.952 -0.414 1.00 0.00 O HETATM 3 C2 MYR A 1 116.408 9.736 -0.306 1.00 0.00 C HETATM 4 C3 MYR A 1 115.005 9.935 -0.892 1.00 0.00 C HETATM 5 C4 MYR A 1 114.114 8.729 -0.622 1.00 0.00 C HETATM 6 C5 MYR A 1 112.713 9.144 -0.184 1.00 0.00 C HETATM 7 C6 MYR A 1 112.415 8.650 1.234 1.00 0.00 C HETATM 8 C7 MYR A 1 110.923 8.562 1.579 1.00 0.00 C HETATM 9 C8 MYR A 1 110.587 7.731 2.825 1.00 0.00 C HETATM 10 C9 MYR A 1 109.701 6.500 2.558 1.00 0.00 C HETATM 11 C10 MYR A 1 109.091 5.920 3.841 1.00 0.00 C HETATM 12 C11 MYR A 1 109.170 4.384 3.899 1.00 0.00 C HETATM 13 C12 MYR A 1 107.806 3.767 4.209 1.00 0.00 C HETATM 14 C13 MYR A 1 107.451 2.670 3.204 1.00 0.00 C HETATM 15 C14 MYR A 1 105.991 2.258 3.320 1.00 0.00 C HETATM 0 H143 MYR A 1 105.798 1.881 4.324 1.00 0.00 H new HETATM 0 H142 MYR A 1 105.353 3.121 3.128 1.00 0.00 H new HETATM 0 H141 MYR A 1 105.774 1.477 2.591 1.00 0.00 H new HETATM 0 H132 MYR A 1 107.651 3.023 2.192 1.00 0.00 H new HETATM 0 H131 MYR A 1 108.089 1.802 3.371 1.00 0.00 H new HETATM 0 H122 MYR A 1 107.813 3.352 5.217 1.00 0.00 H new HETATM 0 H121 MYR A 1 107.041 4.543 4.189 1.00 0.00 H new HETATM 0 H112 MYR A 1 109.537 4.001 2.947 1.00 0.00 H new HETATM 0 H111 MYR A 1 109.889 4.084 4.661 1.00 0.00 H new HETATM 0 H102 MYR A 1 109.608 6.338 4.705 1.00 0.00 H new HETATM 0 H101 MYR A 1 108.048 6.228 3.913 1.00 0.00 H new HETATM 0 H92 MYR A 1 108.900 6.776 1.872 1.00 0.00 H new HETATM 0 H91 MYR A 1 110.294 5.731 2.063 1.00 0.00 H new HETATM 0 H82 MYR A 1 111.518 7.399 3.285 1.00 0.00 H new HETATM 0 H81 MYR A 1 110.085 8.373 3.549 1.00 0.00 H new HETATM 0 H72 MYR A 1 110.540 9.572 1.722 1.00 0.00 H new HETATM 0 H71 MYR A 1 110.394 8.138 0.726 1.00 0.00 H new HETATM 0 H62 MYR A 1 112.863 7.665 1.363 1.00 0.00 H new HETATM 0 H61 MYR A 1 112.901 9.317 1.947 1.00 0.00 H new HETATM 0 H52 MYR A 1 112.623 10.230 -0.222 1.00 0.00 H new HETATM 0 H51 MYR A 1 111.976 8.738 -0.877 1.00 0.00 H new HETATM 0 H42 MYR A 1 114.047 8.118 -1.522 1.00 0.00 H new HETATM 0 H41 MYR A 1 114.567 8.108 0.151 1.00 0.00 H new HETATM 0 H32 MYR A 1 114.552 10.828 -0.461 1.00 0.00 H new HETATM 0 H31 MYR A 1 115.078 10.102 -1.967 1.00 0.00 H new HETATM 0 H22 MYR A 1 116.851 8.830 -0.720 1.00 0.00 H new HETATM 0 H21 MYR A 1 116.335 9.591 0.772 1.00 0.00 H new ATOM 43 N GLY A 2 118.412 10.464 -0.069 1.00 0.00 N ATOM 44 CA GLY A 2 119.213 11.389 0.724 1.00 0.00 C ATOM 45 C GLY A 2 118.883 11.266 2.208 1.00 0.00 C ATOM 46 O GLY A 2 118.353 10.250 2.656 1.00 0.00 O ATOM 0 HA2 GLY A 2 120.272 11.186 0.566 1.00 0.00 H new ATOM 0 HA3 GLY A 2 119.031 12.411 0.391 1.00 0.00 H new ATOM 50 N GLN A 3 119.206 12.309 2.967 1.00 0.00 N ATOM 51 CA GLN A 3 118.944 12.308 4.402 1.00 0.00 C ATOM 52 C GLN A 3 117.537 11.794 4.693 1.00 0.00 C ATOM 53 O GLN A 3 117.241 11.355 5.803 1.00 0.00 O ATOM 54 CB GLN A 3 119.099 13.724 4.962 1.00 0.00 C ATOM 55 CG GLN A 3 120.552 14.180 4.807 1.00 0.00 C ATOM 56 CD GLN A 3 121.464 13.336 5.692 1.00 0.00 C ATOM 57 OE1 GLN A 3 121.228 13.219 6.894 1.00 0.00 O ATOM 58 NE2 GLN A 3 122.499 12.739 5.166 1.00 0.00 N ATOM 0 H GLN A 3 119.646 13.159 2.616 1.00 0.00 H new ATOM 0 HA GLN A 3 119.665 11.646 4.882 1.00 0.00 H new ATOM 0 HB2 GLN A 3 118.434 14.409 4.436 1.00 0.00 H new ATOM 0 HB3 GLN A 3 118.811 13.744 6.013 1.00 0.00 H new ATOM 0 HG2 GLN A 3 120.860 14.091 3.765 1.00 0.00 H new ATOM 0 HG3 GLN A 3 120.642 15.232 5.078 1.00 0.00 H new ATOM 0 HE21 GLN A 3 122.693 12.837 4.169 1.00 0.00 H new ATOM 0 HE22 GLN A 3 123.114 12.174 5.752 1.00 0.00 H new ATOM 67 N GLU A 4 116.678 11.849 3.685 1.00 0.00 N ATOM 68 CA GLU A 4 115.304 11.383 3.834 1.00 0.00 C ATOM 69 C GLU A 4 115.268 10.072 4.610 1.00 0.00 C ATOM 70 O GLU A 4 114.246 9.708 5.187 1.00 0.00 O ATOM 71 CB GLU A 4 114.664 11.184 2.460 1.00 0.00 C ATOM 72 CG GLU A 4 114.633 12.516 1.706 1.00 0.00 C ATOM 73 CD GLU A 4 113.738 13.513 2.436 1.00 0.00 C ATOM 74 OE1 GLU A 4 112.914 13.073 3.219 1.00 0.00 O ATOM 75 OE2 GLU A 4 113.898 14.701 2.208 1.00 0.00 O ATOM 0 H GLU A 4 116.905 12.210 2.758 1.00 0.00 H new ATOM 0 HA GLU A 4 114.743 12.137 4.386 1.00 0.00 H new ATOM 0 HB2 GLU A 4 115.227 10.445 1.890 1.00 0.00 H new ATOM 0 HB3 GLU A 4 113.652 10.795 2.573 1.00 0.00 H new ATOM 0 HG2 GLU A 4 115.643 12.917 1.620 1.00 0.00 H new ATOM 0 HG3 GLU A 4 114.265 12.360 0.692 1.00 0.00 H new ATOM 82 N LEU A 5 116.386 9.361 4.609 1.00 0.00 N ATOM 83 CA LEU A 5 116.467 8.083 5.309 1.00 0.00 C ATOM 84 C LEU A 5 115.788 8.180 6.679 1.00 0.00 C ATOM 85 O LEU A 5 115.197 7.210 7.172 1.00 0.00 O ATOM 86 CB LEU A 5 117.936 7.683 5.491 1.00 0.00 C ATOM 87 CG LEU A 5 118.016 6.256 6.044 1.00 0.00 C ATOM 88 CD1 LEU A 5 117.481 5.262 5.005 1.00 0.00 C ATOM 89 CD2 LEU A 5 119.472 5.915 6.370 1.00 0.00 C ATOM 0 H LEU A 5 117.245 9.643 4.136 1.00 0.00 H new ATOM 0 HA LEU A 5 115.955 7.327 4.714 1.00 0.00 H new ATOM 0 HB2 LEU A 5 118.461 7.744 4.538 1.00 0.00 H new ATOM 0 HB3 LEU A 5 118.430 8.376 6.172 1.00 0.00 H new ATOM 0 HG LEU A 5 117.412 6.190 6.949 1.00 0.00 H new ATOM 0 HD11 LEU A 5 117.541 4.250 5.405 1.00 0.00 H new ATOM 0 HD12 LEU A 5 116.443 5.500 4.775 1.00 0.00 H new ATOM 0 HD13 LEU A 5 118.079 5.329 4.096 1.00 0.00 H new ATOM 0 HD21 LEU A 5 119.529 4.900 6.763 1.00 0.00 H new ATOM 0 HD22 LEU A 5 120.074 5.987 5.464 1.00 0.00 H new ATOM 0 HD23 LEU A 5 119.852 6.614 7.115 1.00 0.00 H new ATOM 101 N SER A 6 115.871 9.355 7.290 1.00 0.00 N ATOM 102 CA SER A 6 115.261 9.566 8.596 1.00 0.00 C ATOM 103 C SER A 6 113.771 9.231 8.543 1.00 0.00 C ATOM 104 O SER A 6 113.203 8.706 9.504 1.00 0.00 O ATOM 105 CB SER A 6 115.446 11.021 9.027 1.00 0.00 C ATOM 106 OG SER A 6 116.821 11.261 9.294 1.00 0.00 O ATOM 0 H SER A 6 116.350 10.170 6.906 1.00 0.00 H new ATOM 0 HA SER A 6 115.746 8.911 9.320 1.00 0.00 H new ATOM 0 HB2 SER A 6 115.093 11.692 8.244 1.00 0.00 H new ATOM 0 HB3 SER A 6 114.850 11.228 9.916 1.00 0.00 H new ATOM 0 HG SER A 6 116.943 12.194 9.569 1.00 0.00 H new ATOM 112 N GLN A 7 113.141 9.532 7.412 1.00 0.00 N ATOM 113 CA GLN A 7 111.720 9.256 7.249 1.00 0.00 C ATOM 114 C GLN A 7 111.427 7.793 7.556 1.00 0.00 C ATOM 115 O GLN A 7 110.469 7.483 8.264 1.00 0.00 O ATOM 116 CB GLN A 7 111.291 9.573 5.813 1.00 0.00 C ATOM 117 CG GLN A 7 111.478 11.068 5.540 1.00 0.00 C ATOM 118 CD GLN A 7 110.527 11.882 6.411 1.00 0.00 C ATOM 119 OE1 GLN A 7 109.312 11.705 6.338 1.00 0.00 O ATOM 120 NE2 GLN A 7 111.011 12.769 7.238 1.00 0.00 N ATOM 0 H GLN A 7 113.588 9.963 6.603 1.00 0.00 H new ATOM 0 HA GLN A 7 111.160 9.883 7.943 1.00 0.00 H new ATOM 0 HB2 GLN A 7 111.882 8.988 5.108 1.00 0.00 H new ATOM 0 HB3 GLN A 7 110.248 9.293 5.664 1.00 0.00 H new ATOM 0 HG2 GLN A 7 112.509 11.357 5.745 1.00 0.00 H new ATOM 0 HG3 GLN A 7 111.291 11.280 4.487 1.00 0.00 H new ATOM 0 HE21 GLN A 7 112.019 12.915 7.297 1.00 0.00 H new ATOM 0 HE22 GLN A 7 110.381 13.316 7.825 1.00 0.00 H new ATOM 129 N HIS A 8 112.258 6.895 7.031 1.00 0.00 N ATOM 130 CA HIS A 8 112.069 5.471 7.270 1.00 0.00 C ATOM 131 C HIS A 8 112.101 5.180 8.764 1.00 0.00 C ATOM 132 O HIS A 8 111.232 4.483 9.289 1.00 0.00 O ATOM 133 CB HIS A 8 113.179 4.680 6.571 1.00 0.00 C ATOM 134 CG HIS A 8 112.927 4.662 5.088 1.00 0.00 C ATOM 135 ND1 HIS A 8 112.201 3.652 4.477 1.00 0.00 N ATOM 136 CD2 HIS A 8 113.293 5.523 4.083 1.00 0.00 C ATOM 137 CE1 HIS A 8 112.154 3.927 3.160 1.00 0.00 C ATOM 138 NE2 HIS A 8 112.804 5.057 2.867 1.00 0.00 N ATOM 0 H HIS A 8 113.059 7.127 6.444 1.00 0.00 H new ATOM 0 HA HIS A 8 111.100 5.172 6.871 1.00 0.00 H new ATOM 0 HB2 HIS A 8 114.149 5.132 6.780 1.00 0.00 H new ATOM 0 HB3 HIS A 8 113.212 3.661 6.957 1.00 0.00 H new ATOM 0 HD2 HIS A 8 113.872 6.425 4.216 1.00 0.00 H new ATOM 0 HE1 HIS A 8 111.652 3.310 2.430 1.00 0.00 H new ATOM 0 HE2 HIS A 8 112.917 5.486 1.949 1.00 0.00 H new ATOM 147 N GLU A 9 113.107 5.717 9.444 1.00 0.00 N ATOM 148 CA GLU A 9 113.234 5.499 10.887 1.00 0.00 C ATOM 149 C GLU A 9 111.888 5.744 11.580 1.00 0.00 C ATOM 150 O GLU A 9 111.540 5.073 12.559 1.00 0.00 O ATOM 151 CB GLU A 9 114.291 6.449 11.465 1.00 0.00 C ATOM 152 CG GLU A 9 114.499 6.149 12.949 1.00 0.00 C ATOM 153 CD GLU A 9 115.580 7.061 13.519 1.00 0.00 C ATOM 154 OE1 GLU A 9 115.657 7.168 14.732 1.00 0.00 O ATOM 155 OE2 GLU A 9 116.315 7.639 12.735 1.00 0.00 O ATOM 0 H GLU A 9 113.837 6.298 9.032 1.00 0.00 H new ATOM 0 HA GLU A 9 113.540 4.467 11.061 1.00 0.00 H new ATOM 0 HB2 GLU A 9 115.231 6.333 10.926 1.00 0.00 H new ATOM 0 HB3 GLU A 9 113.974 7.484 11.334 1.00 0.00 H new ATOM 0 HG2 GLU A 9 113.565 6.295 13.492 1.00 0.00 H new ATOM 0 HG3 GLU A 9 114.785 5.106 13.081 1.00 0.00 H new ATOM 162 N ARG A 10 111.132 6.704 11.052 1.00 0.00 N ATOM 163 CA ARG A 10 109.824 7.023 11.618 1.00 0.00 C ATOM 164 C ARG A 10 108.790 6.008 11.151 1.00 0.00 C ATOM 165 O ARG A 10 107.991 5.533 11.936 1.00 0.00 O ATOM 166 CB ARG A 10 109.394 8.424 11.206 1.00 0.00 C ATOM 167 CG ARG A 10 110.525 9.406 11.527 1.00 0.00 C ATOM 168 CD ARG A 10 110.075 10.828 11.199 1.00 0.00 C ATOM 169 NE ARG A 10 111.156 11.774 11.461 1.00 0.00 N ATOM 170 CZ ARG A 10 111.358 12.259 12.682 1.00 0.00 C ATOM 171 NH1 ARG A 10 112.329 13.106 12.893 1.00 0.00 N ATOM 172 NH2 ARG A 10 110.589 11.890 13.668 1.00 0.00 N ATOM 0 H ARG A 10 111.398 7.267 10.244 1.00 0.00 H new ATOM 0 HA ARG A 10 109.898 6.983 12.705 1.00 0.00 H new ATOM 0 HB2 ARG A 10 109.164 8.449 10.141 1.00 0.00 H new ATOM 0 HB3 ARG A 10 108.485 8.710 11.735 1.00 0.00 H new ATOM 0 HG2 ARG A 10 110.796 9.333 12.580 1.00 0.00 H new ATOM 0 HG3 ARG A 10 111.415 9.153 10.951 1.00 0.00 H new ATOM 0 HD2 ARG A 10 109.774 10.890 10.153 1.00 0.00 H new ATOM 0 HD3 ARG A 10 109.202 11.088 11.798 1.00 0.00 H new ATOM 0 HE ARG A 10 111.765 12.067 10.697 1.00 0.00 H new ATOM 0 HH11 ARG A 10 112.931 13.394 12.122 1.00 0.00 H new ATOM 0 HH12 ARG A 10 112.486 13.479 13.829 1.00 0.00 H new ATOM 0 HH21 ARG A 10 109.831 11.228 13.503 1.00 0.00 H new ATOM 0 HH22 ARG A 10 110.746 12.263 14.604 1.00 0.00 H new ATOM 186 N TYR A 11 108.809 5.701 9.862 1.00 0.00 N ATOM 187 CA TYR A 11 107.856 4.750 9.299 1.00 0.00 C ATOM 188 C TYR A 11 107.926 3.427 10.054 1.00 0.00 C ATOM 189 O TYR A 11 106.904 2.842 10.395 1.00 0.00 O ATOM 190 CB TYR A 11 108.175 4.496 7.827 1.00 0.00 C ATOM 191 CG TYR A 11 107.258 3.427 7.284 1.00 0.00 C ATOM 192 CD1 TYR A 11 107.728 2.118 7.116 1.00 0.00 C ATOM 193 CD2 TYR A 11 105.938 3.745 6.947 1.00 0.00 C ATOM 194 CE1 TYR A 11 106.877 1.129 6.609 1.00 0.00 C ATOM 195 CE2 TYR A 11 105.086 2.756 6.441 1.00 0.00 C ATOM 196 CZ TYR A 11 105.556 1.448 6.273 1.00 0.00 C ATOM 197 OH TYR A 11 104.716 0.472 5.771 1.00 0.00 O ATOM 0 H TYR A 11 109.468 6.092 9.189 1.00 0.00 H new ATOM 0 HA TYR A 11 106.855 5.171 9.390 1.00 0.00 H new ATOM 0 HB2 TYR A 11 108.055 5.416 7.255 1.00 0.00 H new ATOM 0 HB3 TYR A 11 109.214 4.186 7.719 1.00 0.00 H new ATOM 0 HD1 TYR A 11 108.747 1.872 7.378 1.00 0.00 H new ATOM 0 HD2 TYR A 11 105.576 4.754 7.077 1.00 0.00 H new ATOM 0 HE1 TYR A 11 107.239 0.120 6.477 1.00 0.00 H new ATOM 0 HE2 TYR A 11 104.067 3.002 6.181 1.00 0.00 H new ATOM 0 HH TYR A 11 103.834 0.860 5.591 1.00 0.00 H new ATOM 207 N VAL A 12 109.136 2.957 10.314 1.00 0.00 N ATOM 208 CA VAL A 12 109.304 1.691 11.029 1.00 0.00 C ATOM 209 C VAL A 12 108.674 1.766 12.414 1.00 0.00 C ATOM 210 O VAL A 12 107.864 0.918 12.773 1.00 0.00 O ATOM 211 CB VAL A 12 110.794 1.378 11.169 1.00 0.00 C ATOM 212 CG1 VAL A 12 110.994 0.235 12.163 1.00 0.00 C ATOM 213 CG2 VAL A 12 111.358 0.963 9.812 1.00 0.00 C ATOM 0 H VAL A 12 110.005 3.420 10.048 1.00 0.00 H new ATOM 0 HA VAL A 12 108.809 0.904 10.461 1.00 0.00 H new ATOM 0 HB VAL A 12 111.311 2.267 11.529 1.00 0.00 H new ATOM 0 HG11 VAL A 12 112.058 0.017 12.258 1.00 0.00 H new ATOM 0 HG12 VAL A 12 110.595 0.524 13.135 1.00 0.00 H new ATOM 0 HG13 VAL A 12 110.472 -0.653 11.806 1.00 0.00 H new ATOM 0 HG21 VAL A 12 112.420 0.740 9.912 1.00 0.00 H new ATOM 0 HG22 VAL A 12 110.833 0.077 9.456 1.00 0.00 H new ATOM 0 HG23 VAL A 12 111.224 1.776 9.098 1.00 0.00 H new ATOM 223 N GLU A 13 109.048 2.781 13.181 1.00 0.00 N ATOM 224 CA GLU A 13 108.501 2.939 14.528 1.00 0.00 C ATOM 225 C GLU A 13 107.012 3.264 14.480 1.00 0.00 C ATOM 226 O GLU A 13 106.237 2.812 15.323 1.00 0.00 O ATOM 227 CB GLU A 13 109.251 4.053 15.265 1.00 0.00 C ATOM 228 CG GLU A 13 110.434 3.462 16.042 1.00 0.00 C ATOM 229 CD GLU A 13 111.466 2.896 15.073 1.00 0.00 C ATOM 230 OE1 GLU A 13 112.377 2.225 15.532 1.00 0.00 O ATOM 231 OE2 GLU A 13 111.329 3.138 13.885 1.00 0.00 O ATOM 0 H GLU A 13 109.717 3.499 12.903 1.00 0.00 H new ATOM 0 HA GLU A 13 108.629 1.997 15.062 1.00 0.00 H new ATOM 0 HB2 GLU A 13 109.608 4.796 14.552 1.00 0.00 H new ATOM 0 HB3 GLU A 13 108.576 4.567 15.949 1.00 0.00 H new ATOM 0 HG2 GLU A 13 110.891 4.231 16.664 1.00 0.00 H new ATOM 0 HG3 GLU A 13 110.083 2.677 16.712 1.00 0.00 H new ATOM 238 N GLN A 14 106.623 4.055 13.495 1.00 0.00 N ATOM 239 CA GLN A 14 105.233 4.451 13.343 1.00 0.00 C ATOM 240 C GLN A 14 104.395 3.268 12.879 1.00 0.00 C ATOM 241 O GLN A 14 103.619 2.713 13.651 1.00 0.00 O ATOM 242 CB GLN A 14 105.121 5.591 12.326 1.00 0.00 C ATOM 243 CG GLN A 14 103.672 6.096 12.267 1.00 0.00 C ATOM 244 CD GLN A 14 103.284 6.719 13.606 1.00 0.00 C ATOM 245 OE1 GLN A 14 104.068 7.463 14.194 1.00 0.00 O ATOM 246 NE2 GLN A 14 102.114 6.459 14.124 1.00 0.00 N ATOM 0 H GLN A 14 107.251 4.436 12.787 1.00 0.00 H new ATOM 0 HA GLN A 14 104.861 4.792 14.309 1.00 0.00 H new ATOM 0 HB2 GLN A 14 105.789 6.406 12.605 1.00 0.00 H new ATOM 0 HB3 GLN A 14 105.435 5.244 11.342 1.00 0.00 H new ATOM 0 HG2 GLN A 14 103.566 6.831 11.470 1.00 0.00 H new ATOM 0 HG3 GLN A 14 103.000 5.271 12.031 1.00 0.00 H new ATOM 0 HE21 GLN A 14 101.465 5.842 13.635 1.00 0.00 H new ATOM 0 HE22 GLN A 14 101.849 6.873 15.018 1.00 0.00 H new ATOM 255 N LEU A 15 104.539 2.907 11.611 1.00 0.00 N ATOM 256 CA LEU A 15 103.765 1.809 11.052 1.00 0.00 C ATOM 257 C LEU A 15 103.608 0.695 12.087 1.00 0.00 C ATOM 258 O LEU A 15 102.503 0.209 12.336 1.00 0.00 O ATOM 259 CB LEU A 15 104.480 1.251 9.813 1.00 0.00 C ATOM 260 CG LEU A 15 103.463 0.684 8.815 1.00 0.00 C ATOM 261 CD1 LEU A 15 102.584 -0.348 9.519 1.00 0.00 C ATOM 262 CD2 LEU A 15 102.586 1.819 8.274 1.00 0.00 C ATOM 0 H LEU A 15 105.179 3.355 10.955 1.00 0.00 H new ATOM 0 HA LEU A 15 102.779 2.181 10.772 1.00 0.00 H new ATOM 0 HB2 LEU A 15 105.064 2.039 9.338 1.00 0.00 H new ATOM 0 HB3 LEU A 15 105.180 0.470 10.111 1.00 0.00 H new ATOM 0 HG LEU A 15 103.991 0.210 7.988 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.860 -0.753 8.812 1.00 0.00 H new ATOM 0 HD12 LEU A 15 103.207 -1.156 9.902 1.00 0.00 H new ATOM 0 HD13 LEU A 15 102.056 0.127 10.346 1.00 0.00 H new ATOM 0 HD21 LEU A 15 101.864 1.414 7.565 1.00 0.00 H new ATOM 0 HD22 LEU A 15 102.057 2.295 9.099 1.00 0.00 H new ATOM 0 HD23 LEU A 15 103.213 2.556 7.772 1.00 0.00 H new ATOM 274 N LYS A 16 104.713 0.315 12.709 1.00 0.00 N ATOM 275 CA LYS A 16 104.670 -0.724 13.730 1.00 0.00 C ATOM 276 C LYS A 16 103.779 -0.298 14.898 1.00 0.00 C ATOM 277 O LYS A 16 103.015 -1.101 15.433 1.00 0.00 O ATOM 278 CB LYS A 16 106.084 -1.030 14.231 1.00 0.00 C ATOM 279 CG LYS A 16 106.826 -1.860 13.189 1.00 0.00 C ATOM 280 CD LYS A 16 108.165 -2.328 13.762 1.00 0.00 C ATOM 281 CE LYS A 16 108.778 -3.397 12.854 1.00 0.00 C ATOM 282 NZ LYS A 16 109.681 -4.262 13.662 1.00 0.00 N ATOM 0 H LYS A 16 105.639 0.703 12.530 1.00 0.00 H new ATOM 0 HA LYS A 16 104.248 -1.625 13.286 1.00 0.00 H new ATOM 0 HB2 LYS A 16 106.622 -0.102 14.422 1.00 0.00 H new ATOM 0 HB3 LYS A 16 106.037 -1.571 15.176 1.00 0.00 H new ATOM 0 HG2 LYS A 16 106.223 -2.720 12.898 1.00 0.00 H new ATOM 0 HG3 LYS A 16 106.991 -1.268 12.289 1.00 0.00 H new ATOM 0 HD2 LYS A 16 108.846 -1.482 13.853 1.00 0.00 H new ATOM 0 HD3 LYS A 16 108.020 -2.730 14.765 1.00 0.00 H new ATOM 0 HE2 LYS A 16 107.992 -3.998 12.396 1.00 0.00 H new ATOM 0 HE3 LYS A 16 109.334 -2.928 12.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 110.277 -4.831 13.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 110.286 -3.667 14.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 109.112 -4.894 14.261 1.00 0.00 H new ATOM 296 N GLN A 17 103.876 0.968 15.283 1.00 0.00 N ATOM 297 CA GLN A 17 103.061 1.480 16.383 1.00 0.00 C ATOM 298 C GLN A 17 101.578 1.426 15.990 1.00 0.00 C ATOM 299 O GLN A 17 100.755 0.791 16.667 1.00 0.00 O ATOM 300 CB GLN A 17 103.482 2.918 16.701 1.00 0.00 C ATOM 301 CG GLN A 17 104.433 2.917 17.895 1.00 0.00 C ATOM 302 CD GLN A 17 103.655 2.626 19.172 1.00 0.00 C ATOM 303 OE1 GLN A 17 102.597 3.211 19.399 1.00 0.00 O ATOM 304 NE2 GLN A 17 104.119 1.755 20.026 1.00 0.00 N ATOM 0 H GLN A 17 104.501 1.653 14.858 1.00 0.00 H new ATOM 0 HA GLN A 17 103.209 0.866 17.271 1.00 0.00 H new ATOM 0 HB2 GLN A 17 103.969 3.366 15.835 1.00 0.00 H new ATOM 0 HB3 GLN A 17 102.604 3.525 16.922 1.00 0.00 H new ATOM 0 HG2 GLN A 17 105.210 2.166 17.752 1.00 0.00 H new ATOM 0 HG3 GLN A 17 104.933 3.882 17.975 1.00 0.00 H new ATOM 0 HE21 GLN A 17 104.997 1.271 19.835 1.00 0.00 H new ATOM 0 HE22 GLN A 17 103.604 1.558 20.884 1.00 0.00 H new ATOM 313 N ALA A 18 101.250 2.092 14.885 1.00 0.00 N ATOM 314 CA ALA A 18 99.880 2.118 14.390 1.00 0.00 C ATOM 315 C ALA A 18 99.364 0.691 14.220 1.00 0.00 C ATOM 316 O ALA A 18 98.172 0.462 14.071 1.00 0.00 O ATOM 317 CB ALA A 18 99.807 2.864 13.060 1.00 0.00 C ATOM 0 H ALA A 18 101.914 2.619 14.318 1.00 0.00 H new ATOM 0 HA ALA A 18 99.255 2.641 15.114 1.00 0.00 H new ATOM 0 HB1 ALA A 18 98.777 2.874 12.704 1.00 0.00 H new ATOM 0 HB2 ALA A 18 100.153 3.888 13.198 1.00 0.00 H new ATOM 0 HB3 ALA A 18 100.439 2.363 12.327 1.00 0.00 H new ATOM 323 N LEU A 19 100.293 -0.257 14.248 1.00 0.00 N ATOM 324 CA LEU A 19 99.934 -1.673 14.125 1.00 0.00 C ATOM 325 C LEU A 19 99.553 -2.247 15.489 1.00 0.00 C ATOM 326 O LEU A 19 98.518 -2.892 15.638 1.00 0.00 O ATOM 327 CB LEU A 19 101.081 -2.473 13.516 1.00 0.00 C ATOM 328 CG LEU A 19 100.731 -2.857 12.085 1.00 0.00 C ATOM 329 CD1 LEU A 19 101.942 -3.511 11.432 1.00 0.00 C ATOM 330 CD2 LEU A 19 99.566 -3.848 12.082 1.00 0.00 C ATOM 0 H LEU A 19 101.292 -0.079 14.353 1.00 0.00 H new ATOM 0 HA LEU A 19 99.073 -1.749 13.460 1.00 0.00 H new ATOM 0 HB2 LEU A 19 101.998 -1.883 13.531 1.00 0.00 H new ATOM 0 HB3 LEU A 19 101.268 -3.369 14.108 1.00 0.00 H new ATOM 0 HG LEU A 19 100.445 -1.962 11.532 1.00 0.00 H new ATOM 0 HD11 LEU A 19 101.697 -3.788 10.407 1.00 0.00 H new ATOM 0 HD12 LEU A 19 102.777 -2.810 11.429 1.00 0.00 H new ATOM 0 HD13 LEU A 19 102.220 -4.404 11.993 1.00 0.00 H new ATOM 0 HD21 LEU A 19 99.321 -4.118 11.055 1.00 0.00 H new ATOM 0 HD22 LEU A 19 99.849 -4.744 12.635 1.00 0.00 H new ATOM 0 HD23 LEU A 19 98.697 -3.389 12.554 1.00 0.00 H new ATOM 342 N LYS A 20 100.412 -2.021 16.479 1.00 0.00 N ATOM 343 CA LYS A 20 100.168 -2.531 17.819 1.00 0.00 C ATOM 344 C LYS A 20 98.712 -2.311 18.206 1.00 0.00 C ATOM 345 O LYS A 20 98.120 -3.116 18.928 1.00 0.00 O ATOM 346 CB LYS A 20 101.076 -1.817 18.821 1.00 0.00 C ATOM 347 CG LYS A 20 100.921 -2.454 20.204 1.00 0.00 C ATOM 348 CD LYS A 20 101.846 -1.748 21.197 1.00 0.00 C ATOM 349 CE LYS A 20 101.703 -2.396 22.575 1.00 0.00 C ATOM 350 NZ LYS A 20 102.591 -1.698 23.546 1.00 0.00 N ATOM 0 H LYS A 20 101.277 -1.491 16.377 1.00 0.00 H new ATOM 0 HA LYS A 20 100.384 -3.599 17.832 1.00 0.00 H new ATOM 0 HB2 LYS A 20 102.114 -1.881 18.495 1.00 0.00 H new ATOM 0 HB3 LYS A 20 100.821 -0.758 18.867 1.00 0.00 H new ATOM 0 HG2 LYS A 20 99.886 -2.378 20.537 1.00 0.00 H new ATOM 0 HG3 LYS A 20 101.163 -3.516 20.156 1.00 0.00 H new ATOM 0 HD2 LYS A 20 102.880 -1.814 20.858 1.00 0.00 H new ATOM 0 HD3 LYS A 20 101.596 -0.689 21.254 1.00 0.00 H new ATOM 0 HE2 LYS A 20 100.667 -2.341 22.909 1.00 0.00 H new ATOM 0 HE3 LYS A 20 101.965 -3.453 22.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 102.494 -2.138 24.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 103.579 -1.772 23.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 102.321 -0.695 23.605 1.00 0.00 H new ATOM 364 N THR A 21 98.138 -1.217 17.716 1.00 0.00 N ATOM 365 CA THR A 21 96.740 -0.908 18.016 1.00 0.00 C ATOM 366 C THR A 21 95.820 -2.015 17.495 1.00 0.00 C ATOM 367 O THR A 21 94.799 -2.329 18.108 1.00 0.00 O ATOM 368 CB THR A 21 96.349 0.425 17.379 1.00 0.00 C ATOM 369 OG1 THR A 21 95.160 0.910 17.984 1.00 0.00 O ATOM 370 CG2 THR A 21 96.121 0.231 15.882 1.00 0.00 C ATOM 0 H THR A 21 98.608 -0.537 17.118 1.00 0.00 H new ATOM 0 HA THR A 21 96.629 -0.838 19.098 1.00 0.00 H new ATOM 0 HB THR A 21 97.152 1.147 17.530 1.00 0.00 H new ATOM 0 HG1 THR A 21 94.911 1.766 17.576 1.00 0.00 H new ATOM 0 HG21 THR A 21 95.842 1.183 15.430 1.00 0.00 H new ATOM 0 HG22 THR A 21 97.037 -0.136 15.419 1.00 0.00 H new ATOM 0 HG23 THR A 21 95.321 -0.493 15.727 1.00 0.00 H new ATOM 378 N ARG A 22 96.187 -2.596 16.357 1.00 0.00 N ATOM 379 CA ARG A 22 95.389 -3.655 15.760 1.00 0.00 C ATOM 380 C ARG A 22 95.517 -4.941 16.566 1.00 0.00 C ATOM 381 O ARG A 22 94.777 -5.900 16.341 1.00 0.00 O ATOM 382 CB ARG A 22 95.828 -3.903 14.311 1.00 0.00 C ATOM 383 CG ARG A 22 95.237 -2.825 13.386 1.00 0.00 C ATOM 384 CD ARG A 22 95.422 -3.248 11.936 1.00 0.00 C ATOM 385 NE ARG A 22 94.626 -4.436 11.654 1.00 0.00 N ATOM 386 CZ ARG A 22 93.343 -4.339 11.317 1.00 0.00 C ATOM 387 NH1 ARG A 22 92.652 -5.417 11.065 1.00 0.00 N ATOM 388 NH2 ARG A 22 92.776 -3.166 11.237 1.00 0.00 N ATOM 0 H ARG A 22 97.028 -2.351 15.834 1.00 0.00 H new ATOM 0 HA ARG A 22 94.346 -3.340 15.765 1.00 0.00 H new ATOM 0 HB2 ARG A 22 96.916 -3.892 14.246 1.00 0.00 H new ATOM 0 HB3 ARG A 22 95.499 -4.891 13.987 1.00 0.00 H new ATOM 0 HG2 ARG A 22 94.178 -2.684 13.603 1.00 0.00 H new ATOM 0 HG3 ARG A 22 95.729 -1.868 13.563 1.00 0.00 H new ATOM 0 HD2 ARG A 22 95.125 -2.436 11.272 1.00 0.00 H new ATOM 0 HD3 ARG A 22 96.475 -3.452 11.740 1.00 0.00 H new ATOM 0 HE ARG A 22 95.060 -5.357 11.716 1.00 0.00 H new ATOM 0 HH11 ARG A 22 93.096 -6.333 11.127 1.00 0.00 H new ATOM 0 HH12 ARG A 22 91.668 -5.343 10.807 1.00 0.00 H new ATOM 0 HH21 ARG A 22 93.317 -2.324 11.433 1.00 0.00 H new ATOM 0 HH22 ARG A 22 91.792 -3.092 10.979 1.00 0.00 H new ATOM 402 N GLY A 23 96.453 -4.950 17.507 1.00 0.00 N ATOM 403 CA GLY A 23 96.666 -6.127 18.349 1.00 0.00 C ATOM 404 C GLY A 23 97.946 -6.853 17.958 1.00 0.00 C ATOM 405 O GLY A 23 98.046 -8.071 18.110 1.00 0.00 O ATOM 0 H GLY A 23 97.073 -4.165 17.708 1.00 0.00 H new ATOM 0 HA2 GLY A 23 96.720 -5.825 19.395 1.00 0.00 H new ATOM 0 HA3 GLY A 23 95.817 -6.804 18.256 1.00 0.00 H new ATOM 409 N VAL A 24 98.922 -6.102 17.454 1.00 0.00 N ATOM 410 CA VAL A 24 100.191 -6.691 17.044 1.00 0.00 C ATOM 411 C VAL A 24 101.286 -6.348 18.049 1.00 0.00 C ATOM 412 O VAL A 24 101.096 -5.494 18.914 1.00 0.00 O ATOM 413 CB VAL A 24 100.592 -6.171 15.664 1.00 0.00 C ATOM 414 CG1 VAL A 24 101.733 -7.021 15.094 1.00 0.00 C ATOM 415 CG2 VAL A 24 99.388 -6.245 14.722 1.00 0.00 C ATOM 0 H VAL A 24 98.859 -5.093 17.321 1.00 0.00 H new ATOM 0 HA VAL A 24 100.068 -7.773 17.003 1.00 0.00 H new ATOM 0 HB VAL A 24 100.926 -5.138 15.756 1.00 0.00 H new ATOM 0 HG11 VAL A 24 102.012 -6.643 14.110 1.00 0.00 H new ATOM 0 HG12 VAL A 24 102.594 -6.968 15.761 1.00 0.00 H new ATOM 0 HG13 VAL A 24 101.406 -8.057 15.005 1.00 0.00 H new ATOM 0 HG21 VAL A 24 99.673 -5.874 13.737 1.00 0.00 H new ATOM 0 HG22 VAL A 24 99.055 -7.279 14.638 1.00 0.00 H new ATOM 0 HG23 VAL A 24 98.577 -5.634 15.119 1.00 0.00 H new ATOM 425 N LYS A 25 102.432 -7.015 17.928 1.00 0.00 N ATOM 426 CA LYS A 25 103.549 -6.762 18.824 1.00 0.00 C ATOM 427 C LYS A 25 104.735 -6.193 18.048 1.00 0.00 C ATOM 428 O LYS A 25 105.038 -6.653 16.947 1.00 0.00 O ATOM 429 CB LYS A 25 103.963 -8.057 19.524 1.00 0.00 C ATOM 430 CG LYS A 25 105.080 -7.760 20.527 1.00 0.00 C ATOM 431 CD LYS A 25 105.418 -9.034 21.302 1.00 0.00 C ATOM 432 CE LYS A 25 106.523 -8.736 22.318 1.00 0.00 C ATOM 433 NZ LYS A 25 106.820 -9.966 23.104 1.00 0.00 N ATOM 0 H LYS A 25 102.607 -7.730 17.222 1.00 0.00 H new ATOM 0 HA LYS A 25 103.236 -6.034 19.572 1.00 0.00 H new ATOM 0 HB2 LYS A 25 103.107 -8.496 20.036 1.00 0.00 H new ATOM 0 HB3 LYS A 25 104.304 -8.787 18.790 1.00 0.00 H new ATOM 0 HG2 LYS A 25 105.964 -7.393 20.006 1.00 0.00 H new ATOM 0 HG3 LYS A 25 104.767 -6.975 21.215 1.00 0.00 H new ATOM 0 HD2 LYS A 25 104.531 -9.408 21.813 1.00 0.00 H new ATOM 0 HD3 LYS A 25 105.743 -9.815 20.615 1.00 0.00 H new ATOM 0 HE2 LYS A 25 107.421 -8.394 21.804 1.00 0.00 H new ATOM 0 HE3 LYS A 25 106.212 -7.932 22.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 107.571 -9.764 23.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 105.962 -10.273 23.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 107.135 -10.721 22.462 1.00 0.00 H new ATOM 447 N VAL A 26 105.396 -5.189 18.627 1.00 0.00 N ATOM 448 CA VAL A 26 106.544 -4.562 17.978 1.00 0.00 C ATOM 449 C VAL A 26 107.842 -4.908 18.714 1.00 0.00 C ATOM 450 O VAL A 26 108.251 -4.223 19.649 1.00 0.00 O ATOM 451 CB VAL A 26 106.350 -3.043 17.946 1.00 0.00 C ATOM 452 CG1 VAL A 26 105.003 -2.715 17.303 1.00 0.00 C ATOM 453 CG2 VAL A 26 106.365 -2.494 19.378 1.00 0.00 C ATOM 0 H VAL A 26 105.157 -4.796 19.538 1.00 0.00 H new ATOM 0 HA VAL A 26 106.618 -4.941 16.959 1.00 0.00 H new ATOM 0 HB VAL A 26 107.156 -2.590 17.369 1.00 0.00 H new ATOM 0 HG11 VAL A 26 104.864 -1.634 17.280 1.00 0.00 H new ATOM 0 HG12 VAL A 26 104.981 -3.105 16.286 1.00 0.00 H new ATOM 0 HG13 VAL A 26 104.202 -3.171 17.884 1.00 0.00 H new ATOM 0 HG21 VAL A 26 106.227 -1.413 19.355 1.00 0.00 H new ATOM 0 HG22 VAL A 26 105.558 -2.951 19.951 1.00 0.00 H new ATOM 0 HG23 VAL A 26 107.321 -2.728 19.847 1.00 0.00 H new ATOM 463 N LYS A 27 108.485 -5.979 18.282 1.00 0.00 N ATOM 464 CA LYS A 27 109.736 -6.414 18.899 1.00 0.00 C ATOM 465 C LYS A 27 110.918 -6.185 17.962 1.00 0.00 C ATOM 466 O LYS A 27 110.745 -5.945 16.779 1.00 0.00 O ATOM 467 CB LYS A 27 109.660 -7.890 19.267 1.00 0.00 C ATOM 468 CG LYS A 27 109.142 -8.687 18.071 1.00 0.00 C ATOM 469 CD LYS A 27 109.334 -10.180 18.334 1.00 0.00 C ATOM 470 CE LYS A 27 108.780 -10.982 17.154 1.00 0.00 C ATOM 471 NZ LYS A 27 109.007 -12.436 17.390 1.00 0.00 N ATOM 0 H LYS A 27 108.167 -6.565 17.510 1.00 0.00 H new ATOM 0 HA LYS A 27 109.885 -5.822 19.802 1.00 0.00 H new ATOM 0 HB2 LYS A 27 110.645 -8.254 19.561 1.00 0.00 H new ATOM 0 HB3 LYS A 27 109.000 -8.029 20.123 1.00 0.00 H new ATOM 0 HG2 LYS A 27 108.087 -8.469 17.904 1.00 0.00 H new ATOM 0 HG3 LYS A 27 109.675 -8.394 17.167 1.00 0.00 H new ATOM 0 HD2 LYS A 27 110.392 -10.402 18.474 1.00 0.00 H new ATOM 0 HD3 LYS A 27 108.824 -10.467 19.254 1.00 0.00 H new ATOM 0 HE2 LYS A 27 107.715 -10.784 17.034 1.00 0.00 H new ATOM 0 HE3 LYS A 27 109.267 -10.672 16.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 108.630 -12.981 16.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 110.027 -12.617 17.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 108.522 -12.726 18.263 1.00 0.00 H new ATOM 485 N TYR A 28 112.123 -6.252 18.501 1.00 0.00 N ATOM 486 CA TYR A 28 113.320 -6.057 17.688 1.00 0.00 C ATOM 487 C TYR A 28 113.433 -7.167 16.635 1.00 0.00 C ATOM 488 O TYR A 28 113.863 -6.931 15.499 1.00 0.00 O ATOM 489 CB TYR A 28 114.559 -6.069 18.582 1.00 0.00 C ATOM 490 CG TYR A 28 114.474 -4.925 19.565 1.00 0.00 C ATOM 491 CD1 TYR A 28 113.743 -5.075 20.748 1.00 0.00 C ATOM 492 CD2 TYR A 28 115.127 -3.716 19.293 1.00 0.00 C ATOM 493 CE1 TYR A 28 113.664 -4.016 21.661 1.00 0.00 C ATOM 494 CE2 TYR A 28 115.048 -2.658 20.206 1.00 0.00 C ATOM 495 CZ TYR A 28 114.316 -2.808 21.390 1.00 0.00 C ATOM 496 OH TYR A 28 114.238 -1.765 22.290 1.00 0.00 O ATOM 0 H TYR A 28 112.302 -6.438 19.488 1.00 0.00 H new ATOM 0 HA TYR A 28 113.248 -5.095 17.181 1.00 0.00 H new ATOM 0 HB2 TYR A 28 114.628 -7.017 19.115 1.00 0.00 H new ATOM 0 HB3 TYR A 28 115.460 -5.977 17.976 1.00 0.00 H new ATOM 0 HD1 TYR A 28 113.240 -6.007 20.957 1.00 0.00 H new ATOM 0 HD2 TYR A 28 115.691 -3.600 18.379 1.00 0.00 H new ATOM 0 HE1 TYR A 28 113.100 -4.132 22.575 1.00 0.00 H new ATOM 0 HE2 TYR A 28 115.552 -1.726 19.997 1.00 0.00 H new ATOM 0 HH TYR A 28 114.748 -1.000 21.950 1.00 0.00 H new ATOM 506 N ALA A 29 113.041 -8.377 17.025 1.00 0.00 N ATOM 507 CA ALA A 29 113.098 -9.519 16.122 1.00 0.00 C ATOM 508 C ALA A 29 112.247 -9.267 14.882 1.00 0.00 C ATOM 509 O ALA A 29 112.477 -9.856 13.826 1.00 0.00 O ATOM 510 CB ALA A 29 112.606 -10.784 16.830 1.00 0.00 C ATOM 0 H ALA A 29 112.682 -8.590 17.956 1.00 0.00 H new ATOM 0 HA ALA A 29 114.136 -9.658 15.818 1.00 0.00 H new ATOM 0 HB1 ALA A 29 112.655 -11.628 16.142 1.00 0.00 H new ATOM 0 HB2 ALA A 29 113.237 -10.985 17.696 1.00 0.00 H new ATOM 0 HB3 ALA A 29 111.576 -10.641 17.156 1.00 0.00 H new ATOM 516 N ASP A 30 111.260 -8.392 15.022 1.00 0.00 N ATOM 517 CA ASP A 30 110.369 -8.072 13.909 1.00 0.00 C ATOM 518 C ASP A 30 111.090 -7.239 12.868 1.00 0.00 C ATOM 519 O ASP A 30 110.927 -7.462 11.677 1.00 0.00 O ATOM 520 CB ASP A 30 109.136 -7.306 14.414 1.00 0.00 C ATOM 521 CG ASP A 30 108.073 -8.278 14.936 1.00 0.00 C ATOM 522 OD1 ASP A 30 107.258 -7.857 15.740 1.00 0.00 O ATOM 523 OD2 ASP A 30 108.101 -9.428 14.530 1.00 0.00 O ATOM 0 H ASP A 30 111.055 -7.893 15.888 1.00 0.00 H new ATOM 0 HA ASP A 30 110.049 -9.009 13.453 1.00 0.00 H new ATOM 0 HB2 ASP A 30 109.428 -6.618 15.207 1.00 0.00 H new ATOM 0 HB3 ASP A 30 108.720 -6.703 13.607 1.00 0.00 H new ATOM 528 N LEU A 31 111.898 -6.295 13.320 1.00 0.00 N ATOM 529 CA LEU A 31 112.637 -5.437 12.400 1.00 0.00 C ATOM 530 C LEU A 31 113.578 -6.269 11.543 1.00 0.00 C ATOM 531 O LEU A 31 113.749 -6.009 10.364 1.00 0.00 O ATOM 532 CB LEU A 31 113.456 -4.408 13.193 1.00 0.00 C ATOM 533 CG LEU A 31 112.558 -3.260 13.670 1.00 0.00 C ATOM 534 CD1 LEU A 31 112.179 -3.493 15.134 1.00 0.00 C ATOM 535 CD2 LEU A 31 113.304 -1.936 13.543 1.00 0.00 C ATOM 0 H LEU A 31 112.060 -6.102 14.308 1.00 0.00 H new ATOM 0 HA LEU A 31 111.924 -4.923 11.756 1.00 0.00 H new ATOM 0 HB2 LEU A 31 113.926 -4.891 14.050 1.00 0.00 H new ATOM 0 HB3 LEU A 31 114.259 -4.015 12.569 1.00 0.00 H new ATOM 0 HG LEU A 31 111.657 -3.224 13.057 1.00 0.00 H new ATOM 0 HD11 LEU A 31 111.540 -2.680 15.478 1.00 0.00 H new ATOM 0 HD12 LEU A 31 111.644 -4.438 15.225 1.00 0.00 H new ATOM 0 HD13 LEU A 31 113.083 -3.528 15.743 1.00 0.00 H new ATOM 0 HD21 LEU A 31 112.663 -1.123 13.883 1.00 0.00 H new ATOM 0 HD22 LEU A 31 114.206 -1.966 14.154 1.00 0.00 H new ATOM 0 HD23 LEU A 31 113.577 -1.771 12.501 1.00 0.00 H new ATOM 547 N LEU A 32 114.198 -7.260 12.134 1.00 0.00 N ATOM 548 CA LEU A 32 115.139 -8.087 11.382 1.00 0.00 C ATOM 549 C LEU A 32 114.471 -8.691 10.149 1.00 0.00 C ATOM 550 O LEU A 32 115.045 -8.687 9.062 1.00 0.00 O ATOM 551 CB LEU A 32 115.632 -9.221 12.270 1.00 0.00 C ATOM 552 CG LEU A 32 116.129 -8.646 13.606 1.00 0.00 C ATOM 553 CD1 LEU A 32 116.576 -9.783 14.526 1.00 0.00 C ATOM 554 CD2 LEU A 32 117.313 -7.707 13.347 1.00 0.00 C ATOM 0 H LEU A 32 114.079 -7.519 13.113 1.00 0.00 H new ATOM 0 HA LEU A 32 115.970 -7.457 11.064 1.00 0.00 H new ATOM 0 HB2 LEU A 32 114.828 -9.935 12.446 1.00 0.00 H new ATOM 0 HB3 LEU A 32 116.437 -9.763 11.773 1.00 0.00 H new ATOM 0 HG LEU A 32 115.319 -8.094 14.083 1.00 0.00 H new ATOM 0 HD11 LEU A 32 116.927 -9.369 15.471 1.00 0.00 H new ATOM 0 HD12 LEU A 32 115.736 -10.452 14.712 1.00 0.00 H new ATOM 0 HD13 LEU A 32 117.384 -10.339 14.051 1.00 0.00 H new ATOM 0 HD21 LEU A 32 117.667 -7.298 14.293 1.00 0.00 H new ATOM 0 HD22 LEU A 32 118.119 -8.262 12.867 1.00 0.00 H new ATOM 0 HD23 LEU A 32 116.996 -6.892 12.696 1.00 0.00 H new ATOM 566 N LYS A 33 113.281 -9.232 10.330 1.00 0.00 N ATOM 567 CA LYS A 33 112.563 -9.861 9.227 1.00 0.00 C ATOM 568 C LYS A 33 111.860 -8.843 8.352 1.00 0.00 C ATOM 569 O LYS A 33 112.021 -8.849 7.140 1.00 0.00 O ATOM 570 CB LYS A 33 111.525 -10.841 9.775 1.00 0.00 C ATOM 571 CG LYS A 33 110.876 -11.614 8.620 1.00 0.00 C ATOM 572 CD LYS A 33 109.889 -12.642 9.180 1.00 0.00 C ATOM 573 CE LYS A 33 109.238 -13.407 8.026 1.00 0.00 C ATOM 574 NZ LYS A 33 108.309 -14.436 8.573 1.00 0.00 N ATOM 0 H LYS A 33 112.790 -9.251 11.224 1.00 0.00 H new ATOM 0 HA LYS A 33 113.300 -10.385 8.618 1.00 0.00 H new ATOM 0 HB2 LYS A 33 111.999 -11.536 10.468 1.00 0.00 H new ATOM 0 HB3 LYS A 33 110.763 -10.301 10.336 1.00 0.00 H new ATOM 0 HG2 LYS A 33 110.359 -10.924 7.953 1.00 0.00 H new ATOM 0 HG3 LYS A 33 111.642 -12.115 8.029 1.00 0.00 H new ATOM 0 HD2 LYS A 33 110.407 -13.335 9.843 1.00 0.00 H new ATOM 0 HD3 LYS A 33 109.125 -12.142 9.775 1.00 0.00 H new ATOM 0 HE2 LYS A 33 108.694 -12.718 7.380 1.00 0.00 H new ATOM 0 HE3 LYS A 33 110.004 -13.882 7.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 107.866 -14.956 7.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 108.840 -15.100 9.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 107.571 -13.971 9.140 1.00 0.00 H new ATOM 588 N PHE A 34 111.056 -7.997 8.963 1.00 0.00 N ATOM 589 CA PHE A 34 110.300 -6.997 8.209 1.00 0.00 C ATOM 590 C PHE A 34 111.211 -6.039 7.452 1.00 0.00 C ATOM 591 O PHE A 34 110.916 -5.648 6.320 1.00 0.00 O ATOM 592 CB PHE A 34 109.412 -6.180 9.161 1.00 0.00 C ATOM 593 CG PHE A 34 107.976 -6.617 9.026 1.00 0.00 C ATOM 594 CD1 PHE A 34 107.304 -6.427 7.813 1.00 0.00 C ATOM 595 CD2 PHE A 34 107.312 -7.206 10.109 1.00 0.00 C ATOM 596 CE1 PHE A 34 105.968 -6.827 7.681 1.00 0.00 C ATOM 597 CE2 PHE A 34 105.976 -7.606 9.978 1.00 0.00 C ATOM 598 CZ PHE A 34 105.304 -7.416 8.765 1.00 0.00 C ATOM 0 H PHE A 34 110.904 -7.975 9.971 1.00 0.00 H new ATOM 0 HA PHE A 34 109.691 -7.538 7.485 1.00 0.00 H new ATOM 0 HB2 PHE A 34 109.747 -6.314 10.190 1.00 0.00 H new ATOM 0 HB3 PHE A 34 109.501 -5.118 8.933 1.00 0.00 H new ATOM 0 HD1 PHE A 34 107.816 -5.972 6.978 1.00 0.00 H new ATOM 0 HD2 PHE A 34 107.830 -7.352 11.045 1.00 0.00 H new ATOM 0 HE1 PHE A 34 105.450 -6.681 6.744 1.00 0.00 H new ATOM 0 HE2 PHE A 34 105.464 -8.061 10.813 1.00 0.00 H new ATOM 0 HZ PHE A 34 104.274 -7.723 8.665 1.00 0.00 H new ATOM 608 N PHE A 35 112.322 -5.678 8.072 1.00 0.00 N ATOM 609 CA PHE A 35 113.271 -4.767 7.441 1.00 0.00 C ATOM 610 C PHE A 35 114.025 -5.462 6.304 1.00 0.00 C ATOM 611 O PHE A 35 114.094 -4.950 5.188 1.00 0.00 O ATOM 612 CB PHE A 35 114.264 -4.256 8.486 1.00 0.00 C ATOM 613 CG PHE A 35 114.902 -2.984 7.999 1.00 0.00 C ATOM 614 CD1 PHE A 35 115.853 -3.021 6.973 1.00 0.00 C ATOM 615 CD2 PHE A 35 114.536 -1.760 8.571 1.00 0.00 C ATOM 616 CE1 PHE A 35 116.439 -1.834 6.519 1.00 0.00 C ATOM 617 CE2 PHE A 35 115.122 -0.572 8.117 1.00 0.00 C ATOM 618 CZ PHE A 35 116.073 -0.609 7.091 1.00 0.00 C ATOM 0 H PHE A 35 112.590 -5.997 9.003 1.00 0.00 H new ATOM 0 HA PHE A 35 112.717 -3.928 7.020 1.00 0.00 H new ATOM 0 HB2 PHE A 35 113.752 -4.079 9.432 1.00 0.00 H new ATOM 0 HB3 PHE A 35 115.029 -5.009 8.674 1.00 0.00 H new ATOM 0 HD1 PHE A 35 116.135 -3.966 6.532 1.00 0.00 H new ATOM 0 HD2 PHE A 35 113.802 -1.732 9.362 1.00 0.00 H new ATOM 0 HE1 PHE A 35 117.173 -1.863 5.728 1.00 0.00 H new ATOM 0 HE2 PHE A 35 114.840 0.372 8.558 1.00 0.00 H new ATOM 0 HZ PHE A 35 116.525 0.307 6.740 1.00 0.00 H new ATOM 628 N ASP A 36 114.592 -6.630 6.605 1.00 0.00 N ATOM 629 CA ASP A 36 115.345 -7.378 5.606 1.00 0.00 C ATOM 630 C ASP A 36 114.400 -8.002 4.583 1.00 0.00 C ATOM 631 O ASP A 36 114.819 -8.377 3.486 1.00 0.00 O ATOM 632 CB ASP A 36 116.177 -8.470 6.275 1.00 0.00 C ATOM 633 CG ASP A 36 117.228 -7.840 7.183 1.00 0.00 C ATOM 634 OD1 ASP A 36 117.485 -6.658 7.028 1.00 0.00 O ATOM 635 OD2 ASP A 36 117.755 -8.547 8.026 1.00 0.00 O ATOM 0 H ASP A 36 114.544 -7.073 7.523 1.00 0.00 H new ATOM 0 HA ASP A 36 116.014 -6.687 5.093 1.00 0.00 H new ATOM 0 HB2 ASP A 36 115.530 -9.128 6.855 1.00 0.00 H new ATOM 0 HB3 ASP A 36 116.661 -9.086 5.517 1.00 0.00 H new ATOM 640 N PHE A 37 113.134 -8.138 4.962 1.00 0.00 N ATOM 641 CA PHE A 37 112.144 -8.746 4.084 1.00 0.00 C ATOM 642 C PHE A 37 111.950 -7.919 2.826 1.00 0.00 C ATOM 643 O PHE A 37 112.204 -8.388 1.715 1.00 0.00 O ATOM 644 CB PHE A 37 110.802 -8.867 4.814 1.00 0.00 C ATOM 645 CG PHE A 37 109.679 -8.939 3.808 1.00 0.00 C ATOM 646 CD1 PHE A 37 108.547 -8.130 3.957 1.00 0.00 C ATOM 647 CD2 PHE A 37 109.774 -9.817 2.721 1.00 0.00 C ATOM 648 CE1 PHE A 37 107.509 -8.199 3.019 1.00 0.00 C ATOM 649 CE2 PHE A 37 108.737 -9.886 1.784 1.00 0.00 C ATOM 650 CZ PHE A 37 107.604 -9.077 1.933 1.00 0.00 C ATOM 0 H PHE A 37 112.771 -7.837 5.867 1.00 0.00 H new ATOM 0 HA PHE A 37 112.506 -9.735 3.804 1.00 0.00 H new ATOM 0 HB2 PHE A 37 110.798 -9.758 5.442 1.00 0.00 H new ATOM 0 HB3 PHE A 37 110.658 -8.011 5.474 1.00 0.00 H new ATOM 0 HD1 PHE A 37 108.474 -7.453 4.795 1.00 0.00 H new ATOM 0 HD2 PHE A 37 110.648 -10.441 2.606 1.00 0.00 H new ATOM 0 HE1 PHE A 37 106.635 -7.575 3.134 1.00 0.00 H new ATOM 0 HE2 PHE A 37 108.811 -10.563 0.946 1.00 0.00 H new ATOM 0 HZ PHE A 37 106.803 -9.130 1.210 1.00 0.00 H new ATOM 660 N VAL A 38 111.508 -6.680 3.006 1.00 0.00 N ATOM 661 CA VAL A 38 111.291 -5.793 1.863 1.00 0.00 C ATOM 662 C VAL A 38 112.611 -5.418 1.208 1.00 0.00 C ATOM 663 O VAL A 38 112.677 -5.218 -0.002 1.00 0.00 O ATOM 664 CB VAL A 38 110.560 -4.524 2.305 1.00 0.00 C ATOM 665 CG1 VAL A 38 109.050 -4.784 2.356 1.00 0.00 C ATOM 666 CG2 VAL A 38 111.044 -4.130 3.698 1.00 0.00 C ATOM 0 H VAL A 38 111.295 -6.269 3.915 1.00 0.00 H new ATOM 0 HA VAL A 38 110.679 -6.327 1.136 1.00 0.00 H new ATOM 0 HB VAL A 38 110.765 -3.723 1.595 1.00 0.00 H new ATOM 0 HG11 VAL A 38 108.535 -3.877 2.671 1.00 0.00 H new ATOM 0 HG12 VAL A 38 108.697 -5.076 1.367 1.00 0.00 H new ATOM 0 HG13 VAL A 38 108.842 -5.584 3.066 1.00 0.00 H new ATOM 0 HG21 VAL A 38 110.528 -3.226 4.020 1.00 0.00 H new ATOM 0 HG22 VAL A 38 110.833 -4.938 4.399 1.00 0.00 H new ATOM 0 HG23 VAL A 38 112.118 -3.944 3.671 1.00 0.00 H new ATOM 676 N LYS A 39 113.659 -5.325 2.014 1.00 0.00 N ATOM 677 CA LYS A 39 114.980 -4.965 1.494 1.00 0.00 C ATOM 678 C LYS A 39 115.425 -5.957 0.427 1.00 0.00 C ATOM 679 O LYS A 39 116.071 -5.578 -0.550 1.00 0.00 O ATOM 680 CB LYS A 39 116.000 -4.951 2.632 1.00 0.00 C ATOM 681 CG LYS A 39 117.273 -4.232 2.183 1.00 0.00 C ATOM 682 CD LYS A 39 118.231 -4.103 3.362 1.00 0.00 C ATOM 683 CE LYS A 39 119.439 -3.271 2.938 1.00 0.00 C ATOM 684 NZ LYS A 39 120.160 -3.954 1.828 1.00 0.00 N ATOM 0 H LYS A 39 113.627 -5.491 3.020 1.00 0.00 H new ATOM 0 HA LYS A 39 114.916 -3.973 1.048 1.00 0.00 H new ATOM 0 HB2 LYS A 39 115.578 -4.451 3.504 1.00 0.00 H new ATOM 0 HB3 LYS A 39 116.236 -5.972 2.933 1.00 0.00 H new ATOM 0 HG2 LYS A 39 117.749 -4.786 1.374 1.00 0.00 H new ATOM 0 HG3 LYS A 39 117.026 -3.245 1.792 1.00 0.00 H new ATOM 0 HD2 LYS A 39 117.727 -3.631 4.206 1.00 0.00 H new ATOM 0 HD3 LYS A 39 118.553 -5.090 3.694 1.00 0.00 H new ATOM 0 HE2 LYS A 39 119.115 -2.281 2.618 1.00 0.00 H new ATOM 0 HE3 LYS A 39 120.109 -3.129 3.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 121.115 -3.553 1.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 120.229 -4.971 2.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 119.639 -3.815 0.938 1.00 0.00 H new ATOM 698 N ASP A 40 115.086 -7.225 0.622 1.00 0.00 N ATOM 699 CA ASP A 40 115.465 -8.260 -0.332 1.00 0.00 C ATOM 700 C ASP A 40 115.284 -7.766 -1.764 1.00 0.00 C ATOM 701 O ASP A 40 116.245 -7.693 -2.530 1.00 0.00 O ATOM 702 CB ASP A 40 114.607 -9.507 -0.113 1.00 0.00 C ATOM 703 CG ASP A 40 114.977 -10.169 1.209 1.00 0.00 C ATOM 704 OD1 ASP A 40 114.163 -10.916 1.725 1.00 0.00 O ATOM 705 OD2 ASP A 40 116.072 -9.920 1.687 1.00 0.00 O ATOM 0 H ASP A 40 114.554 -7.560 1.425 1.00 0.00 H new ATOM 0 HA ASP A 40 116.516 -8.504 -0.174 1.00 0.00 H new ATOM 0 HB2 ASP A 40 113.551 -9.236 -0.111 1.00 0.00 H new ATOM 0 HB3 ASP A 40 114.754 -10.209 -0.934 1.00 0.00 H new ATOM 710 N THR A 41 114.049 -7.427 -2.118 1.00 0.00 N ATOM 711 CA THR A 41 113.757 -6.942 -3.463 1.00 0.00 C ATOM 712 C THR A 41 113.529 -5.436 -3.456 1.00 0.00 C ATOM 713 O THR A 41 113.382 -4.818 -4.511 1.00 0.00 O ATOM 714 CB THR A 41 112.514 -7.647 -4.012 1.00 0.00 C ATOM 715 OG1 THR A 41 111.501 -7.666 -3.015 1.00 0.00 O ATOM 716 CG2 THR A 41 112.874 -9.081 -4.406 1.00 0.00 C ATOM 0 H THR A 41 113.240 -7.478 -1.499 1.00 0.00 H new ATOM 0 HA THR A 41 114.613 -7.162 -4.101 1.00 0.00 H new ATOM 0 HB THR A 41 112.149 -7.112 -4.888 1.00 0.00 H new ATOM 0 HG1 THR A 41 110.704 -8.116 -3.367 1.00 0.00 H new ATOM 0 HG21 THR A 41 111.989 -9.584 -4.797 1.00 0.00 H new ATOM 0 HG22 THR A 41 113.650 -9.064 -5.171 1.00 0.00 H new ATOM 0 HG23 THR A 41 113.239 -9.618 -3.531 1.00 0.00 H new ATOM 724 N CYS A 42 113.490 -4.852 -2.259 1.00 0.00 N ATOM 725 CA CYS A 42 113.263 -3.418 -2.123 1.00 0.00 C ATOM 726 C CYS A 42 112.227 -2.936 -3.137 1.00 0.00 C ATOM 727 O CYS A 42 112.497 -2.056 -3.949 1.00 0.00 O ATOM 728 CB CYS A 42 114.578 -2.666 -2.315 1.00 0.00 C ATOM 729 SG CYS A 42 115.087 -2.754 -4.050 1.00 0.00 S ATOM 0 H CYS A 42 113.612 -5.348 -1.376 1.00 0.00 H new ATOM 0 HA CYS A 42 112.879 -3.219 -1.122 1.00 0.00 H new ATOM 0 HB2 CYS A 42 114.460 -1.625 -2.014 1.00 0.00 H new ATOM 0 HB3 CYS A 42 115.350 -3.097 -1.678 1.00 0.00 H new ATOM 0 HG CYS A 42 114.219 -3.451 -4.722 1.00 0.00 H new ATOM 735 N PRO A 43 111.049 -3.499 -3.108 1.00 0.00 N ATOM 736 CA PRO A 43 109.955 -3.115 -4.040 1.00 0.00 C ATOM 737 C PRO A 43 109.272 -1.816 -3.623 1.00 0.00 C ATOM 738 O PRO A 43 108.568 -1.192 -4.415 1.00 0.00 O ATOM 739 CB PRO A 43 108.989 -4.290 -3.956 1.00 0.00 C ATOM 740 CG PRO A 43 109.186 -4.864 -2.593 1.00 0.00 C ATOM 741 CD PRO A 43 110.622 -4.558 -2.179 1.00 0.00 C ATOM 0 HA PRO A 43 110.321 -2.927 -5.049 1.00 0.00 H new ATOM 0 HB2 PRO A 43 107.959 -3.964 -4.100 1.00 0.00 H new ATOM 0 HB3 PRO A 43 109.200 -5.029 -4.729 1.00 0.00 H new ATOM 0 HG2 PRO A 43 108.480 -4.428 -1.886 1.00 0.00 H new ATOM 0 HG3 PRO A 43 109.008 -5.939 -2.599 1.00 0.00 H new ATOM 0 HD2 PRO A 43 110.675 -4.224 -1.143 1.00 0.00 H new ATOM 0 HD3 PRO A 43 111.257 -5.440 -2.262 1.00 0.00 H new ATOM 749 N TRP A 44 109.476 -1.420 -2.372 1.00 0.00 N ATOM 750 CA TRP A 44 108.865 -0.198 -1.857 1.00 0.00 C ATOM 751 C TRP A 44 109.505 1.039 -2.476 1.00 0.00 C ATOM 752 O TRP A 44 109.402 2.142 -1.938 1.00 0.00 O ATOM 753 CB TRP A 44 109.001 -0.152 -0.334 1.00 0.00 C ATOM 754 CG TRP A 44 107.645 -0.255 0.292 1.00 0.00 C ATOM 755 CD1 TRP A 44 106.865 0.799 0.626 1.00 0.00 C ATOM 756 CD2 TRP A 44 106.902 -1.450 0.666 1.00 0.00 C ATOM 757 NE1 TRP A 44 105.690 0.326 1.180 1.00 0.00 N ATOM 758 CE2 TRP A 44 105.664 -1.053 1.227 1.00 0.00 C ATOM 759 CE3 TRP A 44 107.177 -2.826 0.573 1.00 0.00 C ATOM 760 CZ2 TRP A 44 104.734 -1.989 1.681 1.00 0.00 C ATOM 761 CZ3 TRP A 44 106.242 -3.771 1.029 1.00 0.00 C ATOM 762 CH2 TRP A 44 105.024 -3.353 1.582 1.00 0.00 C ATOM 0 H TRP A 44 110.055 -1.922 -1.699 1.00 0.00 H new ATOM 0 HA TRP A 44 107.809 -0.203 -2.127 1.00 0.00 H new ATOM 0 HB2 TRP A 44 109.635 -0.969 0.010 1.00 0.00 H new ATOM 0 HB3 TRP A 44 109.484 0.776 -0.029 1.00 0.00 H new ATOM 0 HD1 TRP A 44 107.119 1.839 0.483 1.00 0.00 H new ATOM 0 HE1 TRP A 44 104.934 0.924 1.514 1.00 0.00 H new ATOM 0 HE3 TRP A 44 108.113 -3.159 0.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 103.797 -1.662 2.106 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 106.463 -4.825 0.953 1.00 0.00 H new ATOM 0 HH2 TRP A 44 104.310 -4.084 1.931 1.00 0.00 H new ATOM 773 N PHE A 45 110.166 0.853 -3.612 1.00 0.00 N ATOM 774 CA PHE A 45 110.815 1.958 -4.294 1.00 0.00 C ATOM 775 C PHE A 45 111.769 2.682 -3.338 1.00 0.00 C ATOM 776 O PHE A 45 111.391 3.666 -2.700 1.00 0.00 O ATOM 777 CB PHE A 45 109.781 2.936 -4.821 1.00 0.00 C ATOM 778 CG PHE A 45 109.522 2.634 -6.281 1.00 0.00 C ATOM 779 CD1 PHE A 45 108.267 2.159 -6.682 1.00 0.00 C ATOM 780 CD2 PHE A 45 110.531 2.832 -7.231 1.00 0.00 C ATOM 781 CE1 PHE A 45 108.023 1.881 -8.033 1.00 0.00 C ATOM 782 CE2 PHE A 45 110.287 2.555 -8.581 1.00 0.00 C ATOM 783 CZ PHE A 45 109.033 2.079 -8.981 1.00 0.00 C ATOM 0 H PHE A 45 110.265 -0.050 -4.076 1.00 0.00 H new ATOM 0 HA PHE A 45 111.384 1.558 -5.133 1.00 0.00 H new ATOM 0 HB2 PHE A 45 108.857 2.853 -4.249 1.00 0.00 H new ATOM 0 HB3 PHE A 45 110.137 3.960 -4.705 1.00 0.00 H new ATOM 0 HD1 PHE A 45 107.488 2.007 -5.950 1.00 0.00 H new ATOM 0 HD2 PHE A 45 111.499 3.199 -6.922 1.00 0.00 H new ATOM 0 HE1 PHE A 45 107.056 1.514 -8.343 1.00 0.00 H new ATOM 0 HE2 PHE A 45 111.066 2.708 -9.314 1.00 0.00 H new ATOM 0 HZ PHE A 45 108.845 1.864 -10.023 1.00 0.00 H new ATOM 793 N PRO A 46 112.981 2.203 -3.208 1.00 0.00 N ATOM 794 CA PRO A 46 113.991 2.802 -2.288 1.00 0.00 C ATOM 795 C PRO A 46 114.490 4.152 -2.784 1.00 0.00 C ATOM 796 O PRO A 46 115.211 4.854 -2.074 1.00 0.00 O ATOM 797 CB PRO A 46 115.123 1.771 -2.265 1.00 0.00 C ATOM 798 CG PRO A 46 114.999 1.018 -3.539 1.00 0.00 C ATOM 799 CD PRO A 46 113.530 1.040 -3.925 1.00 0.00 C ATOM 0 HA PRO A 46 113.576 3.002 -1.300 1.00 0.00 H new ATOM 0 HB2 PRO A 46 116.096 2.257 -2.190 1.00 0.00 H new ATOM 0 HB3 PRO A 46 115.031 1.107 -1.406 1.00 0.00 H new ATOM 0 HG2 PRO A 46 115.610 1.474 -4.318 1.00 0.00 H new ATOM 0 HG3 PRO A 46 115.351 -0.006 -3.418 1.00 0.00 H new ATOM 0 HD2 PRO A 46 113.404 1.142 -5.003 1.00 0.00 H new ATOM 0 HD3 PRO A 46 113.028 0.118 -3.631 1.00 0.00 H new ATOM 807 N GLN A 47 114.112 4.508 -4.009 1.00 0.00 N ATOM 808 CA GLN A 47 114.550 5.777 -4.579 1.00 0.00 C ATOM 809 C GLN A 47 113.683 6.923 -4.071 1.00 0.00 C ATOM 810 O GLN A 47 114.182 7.874 -3.471 1.00 0.00 O ATOM 811 CB GLN A 47 114.453 5.708 -6.104 1.00 0.00 C ATOM 812 CG GLN A 47 115.423 4.649 -6.634 1.00 0.00 C ATOM 813 CD GLN A 47 115.272 4.507 -8.145 1.00 0.00 C ATOM 814 OE1 GLN A 47 114.504 5.242 -8.765 1.00 0.00 O ATOM 815 NE2 GLN A 47 115.964 3.600 -8.779 1.00 0.00 N ATOM 0 H GLN A 47 113.514 3.947 -4.616 1.00 0.00 H new ATOM 0 HA GLN A 47 115.582 5.958 -4.277 1.00 0.00 H new ATOM 0 HB2 GLN A 47 113.434 5.464 -6.403 1.00 0.00 H new ATOM 0 HB3 GLN A 47 114.688 6.680 -6.538 1.00 0.00 H new ATOM 0 HG2 GLN A 47 116.448 4.928 -6.388 1.00 0.00 H new ATOM 0 HG3 GLN A 47 115.228 3.692 -6.150 1.00 0.00 H new ATOM 0 HE21 GLN A 47 116.600 2.991 -8.264 1.00 0.00 H new ATOM 0 HE22 GLN A 47 115.869 3.500 -9.790 1.00 0.00 H new ATOM 824 N GLU A 48 112.379 6.813 -4.299 1.00 0.00 N ATOM 825 CA GLU A 48 111.441 7.836 -3.840 1.00 0.00 C ATOM 826 C GLU A 48 110.889 7.486 -2.462 1.00 0.00 C ATOM 827 O GLU A 48 110.441 8.361 -1.722 1.00 0.00 O ATOM 828 CB GLU A 48 110.292 7.983 -4.837 1.00 0.00 C ATOM 829 CG GLU A 48 109.752 6.601 -5.201 1.00 0.00 C ATOM 830 CD GLU A 48 108.552 6.732 -6.132 1.00 0.00 C ATOM 831 OE1 GLU A 48 108.396 5.881 -6.991 1.00 0.00 O ATOM 832 OE2 GLU A 48 107.807 7.685 -5.973 1.00 0.00 O ATOM 0 H GLU A 48 111.948 6.033 -4.795 1.00 0.00 H new ATOM 0 HA GLU A 48 111.977 8.782 -3.769 1.00 0.00 H new ATOM 0 HB2 GLU A 48 109.498 8.593 -4.406 1.00 0.00 H new ATOM 0 HB3 GLU A 48 110.638 8.497 -5.733 1.00 0.00 H new ATOM 0 HG2 GLU A 48 110.533 6.013 -5.683 1.00 0.00 H new ATOM 0 HG3 GLU A 48 109.463 6.066 -4.296 1.00 0.00 H new ATOM 839 N GLY A 49 110.901 6.194 -2.135 1.00 0.00 N ATOM 840 CA GLY A 49 110.377 5.733 -0.851 1.00 0.00 C ATOM 841 C GLY A 49 108.875 5.993 -0.769 1.00 0.00 C ATOM 842 O GLY A 49 108.429 6.875 -0.035 1.00 0.00 O ATOM 0 H GLY A 49 111.265 5.454 -2.736 1.00 0.00 H new ATOM 0 HA2 GLY A 49 110.576 4.668 -0.730 1.00 0.00 H new ATOM 0 HA3 GLY A 49 110.887 6.247 -0.036 1.00 0.00 H new ATOM 846 N THR A 50 108.104 5.229 -1.541 1.00 0.00 N ATOM 847 CA THR A 50 106.653 5.389 -1.563 1.00 0.00 C ATOM 848 C THR A 50 105.954 4.047 -1.415 1.00 0.00 C ATOM 849 O THR A 50 106.588 2.997 -1.480 1.00 0.00 O ATOM 850 CB THR A 50 106.224 6.042 -2.878 1.00 0.00 C ATOM 851 OG1 THR A 50 104.834 6.332 -2.834 1.00 0.00 O ATOM 852 CG2 THR A 50 106.518 5.088 -4.041 1.00 0.00 C ATOM 0 H THR A 50 108.459 4.497 -2.156 1.00 0.00 H new ATOM 0 HA THR A 50 106.368 6.024 -0.724 1.00 0.00 H new ATOM 0 HB THR A 50 106.779 6.969 -3.023 1.00 0.00 H new ATOM 0 HG1 THR A 50 104.561 6.752 -3.676 1.00 0.00 H new ATOM 0 HG21 THR A 50 106.213 5.552 -4.979 1.00 0.00 H new ATOM 0 HG22 THR A 50 107.586 4.872 -4.074 1.00 0.00 H new ATOM 0 HG23 THR A 50 105.965 4.160 -3.899 1.00 0.00 H new ATOM 860 N ILE A 51 104.640 4.092 -1.214 1.00 0.00 N ATOM 861 CA ILE A 51 103.870 2.866 -1.052 1.00 0.00 C ATOM 862 C ILE A 51 103.102 2.556 -2.331 1.00 0.00 C ATOM 863 O ILE A 51 102.608 3.465 -3.001 1.00 0.00 O ATOM 864 CB ILE A 51 102.877 3.019 0.101 1.00 0.00 C ATOM 865 CG1 ILE A 51 103.473 3.939 1.167 1.00 0.00 C ATOM 866 CG2 ILE A 51 102.599 1.646 0.718 1.00 0.00 C ATOM 867 CD1 ILE A 51 102.685 3.807 2.466 1.00 0.00 C ATOM 0 H ILE A 51 104.094 4.952 -1.160 1.00 0.00 H new ATOM 0 HA ILE A 51 104.560 2.051 -0.835 1.00 0.00 H new ATOM 0 HB ILE A 51 101.948 3.447 -0.274 1.00 0.00 H new ATOM 0 HG12 ILE A 51 104.518 3.682 1.338 1.00 0.00 H new ATOM 0 HG13 ILE A 51 103.451 4.973 0.821 1.00 0.00 H new ATOM 0 HG21 ILE A 51 101.891 1.753 1.540 1.00 0.00 H new ATOM 0 HG22 ILE A 51 102.178 0.985 -0.040 1.00 0.00 H new ATOM 0 HG23 ILE A 51 103.530 1.221 1.093 1.00 0.00 H new ATOM 0 HD11 ILE A 51 103.115 4.465 3.221 1.00 0.00 H new ATOM 0 HD12 ILE A 51 101.646 4.086 2.291 1.00 0.00 H new ATOM 0 HD13 ILE A 51 102.730 2.776 2.816 1.00 0.00 H new ATOM 879 N ASP A 52 102.993 1.276 -2.666 1.00 0.00 N ATOM 880 CA ASP A 52 102.267 0.867 -3.863 1.00 0.00 C ATOM 881 C ASP A 52 101.410 -0.366 -3.564 1.00 0.00 C ATOM 882 O ASP A 52 101.919 -1.411 -3.159 1.00 0.00 O ATOM 883 CB ASP A 52 103.261 0.532 -4.976 1.00 0.00 C ATOM 884 CG ASP A 52 102.518 0.266 -6.280 1.00 0.00 C ATOM 885 OD1 ASP A 52 103.138 0.375 -7.325 1.00 0.00 O ATOM 886 OD2 ASP A 52 101.338 -0.038 -6.214 1.00 0.00 O ATOM 0 H ASP A 52 103.395 0.507 -2.130 1.00 0.00 H new ATOM 0 HA ASP A 52 101.620 1.685 -4.180 1.00 0.00 H new ATOM 0 HB2 ASP A 52 103.961 1.357 -5.109 1.00 0.00 H new ATOM 0 HB3 ASP A 52 103.848 -0.343 -4.698 1.00 0.00 H new ATOM 891 N ILE A 53 100.110 -0.225 -3.767 1.00 0.00 N ATOM 892 CA ILE A 53 99.173 -1.317 -3.523 1.00 0.00 C ATOM 893 C ILE A 53 99.332 -2.412 -4.571 1.00 0.00 C ATOM 894 O ILE A 53 99.277 -3.602 -4.258 1.00 0.00 O ATOM 895 CB ILE A 53 97.732 -0.796 -3.534 1.00 0.00 C ATOM 896 CG1 ILE A 53 97.629 0.423 -2.599 1.00 0.00 C ATOM 897 CG2 ILE A 53 96.788 -1.903 -3.039 1.00 0.00 C ATOM 898 CD1 ILE A 53 98.172 0.068 -1.204 1.00 0.00 C ATOM 0 H ILE A 53 99.676 0.636 -4.101 1.00 0.00 H new ATOM 0 HA ILE A 53 99.394 -1.738 -2.542 1.00 0.00 H new ATOM 0 HB ILE A 53 97.452 -0.506 -4.547 1.00 0.00 H new ATOM 0 HG12 ILE A 53 98.192 1.258 -3.015 1.00 0.00 H new ATOM 0 HG13 ILE A 53 96.591 0.745 -2.522 1.00 0.00 H new ATOM 0 HG21 ILE A 53 95.762 -1.536 -3.045 1.00 0.00 H new ATOM 0 HG22 ILE A 53 96.868 -2.769 -3.695 1.00 0.00 H new ATOM 0 HG23 ILE A 53 97.064 -2.190 -2.024 1.00 0.00 H new ATOM 0 HD11 ILE A 53 98.094 0.937 -0.551 1.00 0.00 H new ATOM 0 HD12 ILE A 53 97.590 -0.753 -0.785 1.00 0.00 H new ATOM 0 HD13 ILE A 53 99.217 -0.232 -1.286 1.00 0.00 H new ATOM 910 N LYS A 54 99.507 -2.000 -5.820 1.00 0.00 N ATOM 911 CA LYS A 54 99.653 -2.956 -6.912 1.00 0.00 C ATOM 912 C LYS A 54 100.953 -3.753 -6.776 1.00 0.00 C ATOM 913 O LYS A 54 100.953 -4.992 -6.814 1.00 0.00 O ATOM 914 CB LYS A 54 99.651 -2.212 -8.254 1.00 0.00 C ATOM 915 CG LYS A 54 98.285 -1.556 -8.471 1.00 0.00 C ATOM 916 CD LYS A 54 98.285 -0.802 -9.803 1.00 0.00 C ATOM 917 CE LYS A 54 96.904 -0.188 -10.044 1.00 0.00 C ATOM 918 NZ LYS A 54 96.920 0.586 -11.316 1.00 0.00 N ATOM 0 H LYS A 54 99.551 -1.021 -6.101 1.00 0.00 H new ATOM 0 HA LYS A 54 98.814 -3.651 -6.870 1.00 0.00 H new ATOM 0 HB2 LYS A 54 100.436 -1.455 -8.264 1.00 0.00 H new ATOM 0 HB3 LYS A 54 99.867 -2.905 -9.067 1.00 0.00 H new ATOM 0 HG2 LYS A 54 97.502 -2.314 -8.470 1.00 0.00 H new ATOM 0 HG3 LYS A 54 98.065 -0.870 -7.653 1.00 0.00 H new ATOM 0 HD2 LYS A 54 99.045 -0.020 -9.790 1.00 0.00 H new ATOM 0 HD3 LYS A 54 98.540 -1.481 -10.617 1.00 0.00 H new ATOM 0 HE2 LYS A 54 96.149 -0.973 -10.093 1.00 0.00 H new ATOM 0 HE3 LYS A 54 96.634 0.463 -9.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 95.982 1.003 -11.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 97.630 1.344 -11.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 97.160 -0.048 -12.105 1.00 0.00 H new ATOM 932 N ARG A 55 102.061 -3.040 -6.615 1.00 0.00 N ATOM 933 CA ARG A 55 103.358 -3.689 -6.483 1.00 0.00 C ATOM 934 C ARG A 55 103.382 -4.570 -5.241 1.00 0.00 C ATOM 935 O ARG A 55 103.901 -5.684 -5.268 1.00 0.00 O ATOM 936 CB ARG A 55 104.465 -2.637 -6.391 1.00 0.00 C ATOM 937 CG ARG A 55 105.759 -3.191 -6.988 1.00 0.00 C ATOM 938 CD ARG A 55 106.830 -2.100 -6.989 1.00 0.00 C ATOM 939 NE ARG A 55 106.441 -1.017 -7.886 1.00 0.00 N ATOM 940 CZ ARG A 55 106.618 -1.116 -9.200 1.00 0.00 C ATOM 941 NH1 ARG A 55 106.265 -0.135 -9.982 1.00 0.00 N ATOM 942 NH2 ARG A 55 107.145 -2.198 -9.706 1.00 0.00 N ATOM 0 H ARG A 55 102.088 -2.021 -6.573 1.00 0.00 H new ATOM 0 HA ARG A 55 103.527 -4.310 -7.362 1.00 0.00 H new ATOM 0 HB2 ARG A 55 104.166 -1.734 -6.923 1.00 0.00 H new ATOM 0 HB3 ARG A 55 104.626 -2.355 -5.350 1.00 0.00 H new ATOM 0 HG2 ARG A 55 106.100 -4.049 -6.409 1.00 0.00 H new ATOM 0 HG3 ARG A 55 105.582 -3.542 -8.005 1.00 0.00 H new ATOM 0 HD2 ARG A 55 106.968 -1.714 -5.979 1.00 0.00 H new ATOM 0 HD3 ARG A 55 107.786 -2.518 -7.304 1.00 0.00 H new ATOM 0 HE ARG A 55 106.026 -0.170 -7.498 1.00 0.00 H new ATOM 0 HH11 ARG A 55 105.853 0.710 -9.586 1.00 0.00 H new ATOM 0 HH12 ARG A 55 106.401 -0.212 -10.990 1.00 0.00 H new ATOM 0 HH21 ARG A 55 107.420 -2.966 -9.093 1.00 0.00 H new ATOM 0 HH22 ARG A 55 107.281 -2.276 -10.714 1.00 0.00 H new ATOM 956 N TRP A 56 102.817 -4.064 -4.153 1.00 0.00 N ATOM 957 CA TRP A 56 102.784 -4.815 -2.908 1.00 0.00 C ATOM 958 C TRP A 56 102.198 -6.204 -3.135 1.00 0.00 C ATOM 959 O TRP A 56 102.650 -7.187 -2.545 1.00 0.00 O ATOM 960 CB TRP A 56 101.948 -4.074 -1.866 1.00 0.00 C ATOM 961 CG TRP A 56 101.569 -5.015 -0.764 1.00 0.00 C ATOM 962 CD1 TRP A 56 100.300 -5.288 -0.385 1.00 0.00 C ATOM 963 CD2 TRP A 56 102.434 -5.809 0.100 1.00 0.00 C ATOM 964 NE1 TRP A 56 100.330 -6.197 0.657 1.00 0.00 N ATOM 965 CE2 TRP A 56 101.622 -6.549 0.992 1.00 0.00 C ATOM 966 CE3 TRP A 56 103.829 -5.956 0.196 1.00 0.00 C ATOM 967 CZ2 TRP A 56 102.176 -7.405 1.944 1.00 0.00 C ATOM 968 CZ3 TRP A 56 104.390 -6.817 1.154 1.00 0.00 C ATOM 969 CH2 TRP A 56 103.564 -7.540 2.026 1.00 0.00 C ATOM 0 H TRP A 56 102.379 -3.144 -4.108 1.00 0.00 H new ATOM 0 HA TRP A 56 103.807 -4.917 -2.545 1.00 0.00 H new ATOM 0 HB2 TRP A 56 102.513 -3.234 -1.462 1.00 0.00 H new ATOM 0 HB3 TRP A 56 101.052 -3.662 -2.330 1.00 0.00 H new ATOM 0 HD1 TRP A 56 99.409 -4.865 -0.824 1.00 0.00 H new ATOM 0 HE1 TRP A 56 99.499 -6.563 1.121 1.00 0.00 H new ATOM 0 HE3 TRP A 56 104.474 -5.403 -0.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 101.536 -7.960 2.614 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 105.463 -6.922 1.219 1.00 0.00 H new ATOM 0 HH2 TRP A 56 104.000 -8.201 2.760 1.00 0.00 H new ATOM 980 N ARG A 57 101.191 -6.277 -3.993 1.00 0.00 N ATOM 981 CA ARG A 57 100.549 -7.551 -4.297 1.00 0.00 C ATOM 982 C ARG A 57 101.535 -8.491 -4.980 1.00 0.00 C ATOM 983 O ARG A 57 101.571 -9.685 -4.684 1.00 0.00 O ATOM 984 CB ARG A 57 99.335 -7.329 -5.207 1.00 0.00 C ATOM 985 CG ARG A 57 98.628 -8.663 -5.463 1.00 0.00 C ATOM 986 CD ARG A 57 97.434 -8.435 -6.387 1.00 0.00 C ATOM 987 NE ARG A 57 96.663 -9.665 -6.522 1.00 0.00 N ATOM 988 CZ ARG A 57 95.784 -9.820 -7.507 1.00 0.00 C ATOM 989 NH1 ARG A 57 95.106 -10.929 -7.606 1.00 0.00 N ATOM 990 NH2 ARG A 57 95.601 -8.862 -8.374 1.00 0.00 N ATOM 0 H ARG A 57 100.801 -5.475 -4.489 1.00 0.00 H new ATOM 0 HA ARG A 57 100.217 -8.002 -3.362 1.00 0.00 H new ATOM 0 HB2 ARG A 57 98.645 -6.624 -4.743 1.00 0.00 H new ATOM 0 HB3 ARG A 57 99.653 -6.888 -6.152 1.00 0.00 H new ATOM 0 HG2 ARG A 57 99.321 -9.374 -5.914 1.00 0.00 H new ATOM 0 HG3 ARG A 57 98.295 -9.097 -4.520 1.00 0.00 H new ATOM 0 HD2 ARG A 57 96.802 -7.642 -5.988 1.00 0.00 H new ATOM 0 HD3 ARG A 57 97.780 -8.104 -7.366 1.00 0.00 H new ATOM 0 HE ARG A 57 96.800 -10.419 -5.849 1.00 0.00 H new ATOM 0 HH11 ARG A 57 95.250 -11.677 -6.928 1.00 0.00 H new ATOM 0 HH12 ARG A 57 94.431 -11.049 -8.362 1.00 0.00 H new ATOM 0 HH21 ARG A 57 96.132 -7.995 -8.296 1.00 0.00 H new ATOM 0 HH22 ARG A 57 94.927 -8.980 -9.130 1.00 0.00 H new ATOM 1004 N ARG A 58 102.324 -7.952 -5.905 1.00 0.00 N ATOM 1005 CA ARG A 58 103.295 -8.773 -6.628 1.00 0.00 C ATOM 1006 C ARG A 58 104.276 -9.436 -5.664 1.00 0.00 C ATOM 1007 O ARG A 58 104.442 -10.655 -5.672 1.00 0.00 O ATOM 1008 CB ARG A 58 104.074 -7.900 -7.611 1.00 0.00 C ATOM 1009 CG ARG A 58 103.162 -7.487 -8.766 1.00 0.00 C ATOM 1010 CD ARG A 58 103.928 -6.567 -9.721 1.00 0.00 C ATOM 1011 NE ARG A 58 103.057 -6.140 -10.811 1.00 0.00 N ATOM 1012 CZ ARG A 58 102.827 -6.929 -11.856 1.00 0.00 C ATOM 1013 NH1 ARG A 58 102.046 -6.523 -12.820 1.00 0.00 N ATOM 1014 NH2 ARG A 58 103.382 -8.108 -11.917 1.00 0.00 N ATOM 0 H ARG A 58 102.313 -6.967 -6.170 1.00 0.00 H new ATOM 0 HA ARG A 58 102.751 -9.550 -7.165 1.00 0.00 H new ATOM 0 HB2 ARG A 58 104.457 -7.015 -7.102 1.00 0.00 H new ATOM 0 HB3 ARG A 58 104.937 -8.446 -7.993 1.00 0.00 H new ATOM 0 HG2 ARG A 58 102.811 -8.370 -9.299 1.00 0.00 H new ATOM 0 HG3 ARG A 58 102.280 -6.975 -8.381 1.00 0.00 H new ATOM 0 HD2 ARG A 58 104.300 -5.697 -9.180 1.00 0.00 H new ATOM 0 HD3 ARG A 58 104.797 -7.089 -10.122 1.00 0.00 H new ATOM 0 HE ARG A 58 102.617 -5.221 -10.771 1.00 0.00 H new ATOM 0 HH11 ARG A 58 101.613 -5.601 -12.771 1.00 0.00 H new ATOM 0 HH12 ARG A 58 101.869 -7.128 -13.622 1.00 0.00 H new ATOM 0 HH21 ARG A 58 103.992 -8.424 -11.163 1.00 0.00 H new ATOM 0 HH22 ARG A 58 103.206 -8.714 -12.719 1.00 0.00 H new ATOM 1028 N VAL A 59 104.903 -8.627 -4.824 1.00 0.00 N ATOM 1029 CA VAL A 59 105.855 -9.146 -3.839 1.00 0.00 C ATOM 1030 C VAL A 59 105.145 -10.056 -2.841 1.00 0.00 C ATOM 1031 O VAL A 59 105.689 -11.076 -2.423 1.00 0.00 O ATOM 1032 CB VAL A 59 106.526 -7.985 -3.097 1.00 0.00 C ATOM 1033 CG1 VAL A 59 105.457 -7.033 -2.562 1.00 0.00 C ATOM 1034 CG2 VAL A 59 107.338 -8.535 -1.926 1.00 0.00 C ATOM 0 H VAL A 59 104.775 -7.615 -4.800 1.00 0.00 H new ATOM 0 HA VAL A 59 106.616 -9.725 -4.362 1.00 0.00 H new ATOM 0 HB VAL A 59 107.182 -7.449 -3.782 1.00 0.00 H new ATOM 0 HG11 VAL A 59 105.936 -6.208 -2.035 1.00 0.00 H new ATOM 0 HG12 VAL A 59 104.870 -6.641 -3.393 1.00 0.00 H new ATOM 0 HG13 VAL A 59 104.802 -7.570 -1.877 1.00 0.00 H new ATOM 0 HG21 VAL A 59 107.817 -7.711 -1.396 1.00 0.00 H new ATOM 0 HG22 VAL A 59 106.677 -9.070 -1.244 1.00 0.00 H new ATOM 0 HG23 VAL A 59 108.101 -9.217 -2.301 1.00 0.00 H new ATOM 1044 N GLY A 60 103.929 -9.681 -2.465 1.00 0.00 N ATOM 1045 CA GLY A 60 103.158 -10.475 -1.514 1.00 0.00 C ATOM 1046 C GLY A 60 102.878 -11.869 -2.066 1.00 0.00 C ATOM 1047 O GLY A 60 103.081 -12.870 -1.383 1.00 0.00 O ATOM 0 H GLY A 60 103.458 -8.840 -2.800 1.00 0.00 H new ATOM 0 HA2 GLY A 60 103.705 -10.555 -0.574 1.00 0.00 H new ATOM 0 HA3 GLY A 60 102.217 -9.972 -1.293 1.00 0.00 H new ATOM 1051 N ASP A 61 102.409 -11.923 -3.307 1.00 0.00 N ATOM 1052 CA ASP A 61 102.106 -13.199 -3.947 1.00 0.00 C ATOM 1053 C ASP A 61 103.386 -13.976 -4.238 1.00 0.00 C ATOM 1054 O ASP A 61 103.421 -15.201 -4.125 1.00 0.00 O ATOM 1055 CB ASP A 61 101.338 -12.963 -5.250 1.00 0.00 C ATOM 1056 CG ASP A 61 101.045 -14.296 -5.930 1.00 0.00 C ATOM 1057 OD1 ASP A 61 100.579 -14.273 -7.057 1.00 0.00 O ATOM 1058 OD2 ASP A 61 101.293 -15.320 -5.314 1.00 0.00 O ATOM 0 H ASP A 61 102.231 -11.104 -3.888 1.00 0.00 H new ATOM 0 HA ASP A 61 101.490 -13.786 -3.265 1.00 0.00 H new ATOM 0 HB2 ASP A 61 100.405 -12.438 -5.042 1.00 0.00 H new ATOM 0 HB3 ASP A 61 101.921 -12.326 -5.915 1.00 0.00 H new ATOM 1063 N CYS A 62 104.432 -13.255 -4.615 1.00 0.00 N ATOM 1064 CA CYS A 62 105.712 -13.884 -4.925 1.00 0.00 C ATOM 1065 C CYS A 62 106.290 -14.568 -3.689 1.00 0.00 C ATOM 1066 O CYS A 62 106.904 -15.635 -3.783 1.00 0.00 O ATOM 1067 CB CYS A 62 106.703 -12.837 -5.437 1.00 0.00 C ATOM 1068 SG CYS A 62 106.168 -12.236 -7.058 1.00 0.00 S ATOM 0 H CYS A 62 104.422 -12.240 -4.714 1.00 0.00 H new ATOM 0 HA CYS A 62 105.544 -14.634 -5.698 1.00 0.00 H new ATOM 0 HB2 CYS A 62 106.767 -12.007 -4.733 1.00 0.00 H new ATOM 0 HB3 CYS A 62 107.700 -13.271 -5.510 1.00 0.00 H new ATOM 0 HG CYS A 62 105.160 -11.428 -6.910 1.00 0.00 H new ATOM 1074 N PHE A 63 106.082 -13.954 -2.528 1.00 0.00 N ATOM 1075 CA PHE A 63 106.577 -14.516 -1.279 1.00 0.00 C ATOM 1076 C PHE A 63 105.618 -15.569 -0.737 1.00 0.00 C ATOM 1077 O PHE A 63 106.041 -16.618 -0.254 1.00 0.00 O ATOM 1078 CB PHE A 63 106.762 -13.403 -0.246 1.00 0.00 C ATOM 1079 CG PHE A 63 108.179 -12.883 -0.315 1.00 0.00 C ATOM 1080 CD1 PHE A 63 109.088 -13.199 0.702 1.00 0.00 C ATOM 1081 CD2 PHE A 63 108.584 -12.086 -1.393 1.00 0.00 C ATOM 1082 CE1 PHE A 63 110.402 -12.718 0.641 1.00 0.00 C ATOM 1083 CE2 PHE A 63 109.897 -11.606 -1.453 1.00 0.00 C ATOM 1084 CZ PHE A 63 110.807 -11.921 -0.436 1.00 0.00 C ATOM 0 H PHE A 63 105.577 -13.073 -2.428 1.00 0.00 H new ATOM 0 HA PHE A 63 107.537 -14.994 -1.475 1.00 0.00 H new ATOM 0 HB2 PHE A 63 106.057 -12.594 -0.437 1.00 0.00 H new ATOM 0 HB3 PHE A 63 106.550 -13.781 0.754 1.00 0.00 H new ATOM 0 HD1 PHE A 63 108.776 -13.814 1.533 1.00 0.00 H new ATOM 0 HD2 PHE A 63 107.883 -11.842 -2.178 1.00 0.00 H new ATOM 0 HE1 PHE A 63 111.103 -12.962 1.425 1.00 0.00 H new ATOM 0 HE2 PHE A 63 110.209 -10.992 -2.285 1.00 0.00 H new ATOM 0 HZ PHE A 63 111.820 -11.549 -0.483 1.00 0.00 H new ATOM 1094 N GLN A 64 104.325 -15.278 -0.814 1.00 0.00 N ATOM 1095 CA GLN A 64 103.315 -16.205 -0.321 1.00 0.00 C ATOM 1096 C GLN A 64 103.352 -17.502 -1.117 1.00 0.00 C ATOM 1097 O GLN A 64 103.206 -18.586 -0.557 1.00 0.00 O ATOM 1098 CB GLN A 64 101.925 -15.575 -0.430 1.00 0.00 C ATOM 1099 CG GLN A 64 100.899 -16.467 0.272 1.00 0.00 C ATOM 1100 CD GLN A 64 99.501 -15.880 0.112 1.00 0.00 C ATOM 1101 OE1 GLN A 64 99.005 -15.754 -1.007 1.00 0.00 O ATOM 1102 NE2 GLN A 64 98.831 -15.513 1.170 1.00 0.00 N ATOM 0 H GLN A 64 103.954 -14.414 -1.210 1.00 0.00 H new ATOM 0 HA GLN A 64 103.529 -16.425 0.725 1.00 0.00 H new ATOM 0 HB2 GLN A 64 101.928 -14.583 0.021 1.00 0.00 H new ATOM 0 HB3 GLN A 64 101.654 -15.447 -1.478 1.00 0.00 H new ATOM 0 HG2 GLN A 64 100.931 -17.472 -0.149 1.00 0.00 H new ATOM 0 HG3 GLN A 64 101.146 -16.556 1.330 1.00 0.00 H new ATOM 0 HE21 GLN A 64 99.244 -15.618 2.097 1.00 0.00 H new ATOM 0 HE22 GLN A 64 97.895 -15.121 1.070 1.00 0.00 H new ATOM 1111 N ASP A 65 103.551 -17.384 -2.423 1.00 0.00 N ATOM 1112 CA ASP A 65 103.613 -18.558 -3.285 1.00 0.00 C ATOM 1113 C ASP A 65 104.843 -19.400 -2.964 1.00 0.00 C ATOM 1114 O ASP A 65 104.741 -20.607 -2.738 1.00 0.00 O ATOM 1115 CB ASP A 65 103.665 -18.122 -4.745 1.00 0.00 C ATOM 1116 CG ASP A 65 103.981 -19.319 -5.637 1.00 0.00 C ATOM 1117 OD1 ASP A 65 104.431 -19.103 -6.750 1.00 0.00 O ATOM 1118 OD2 ASP A 65 103.769 -20.434 -5.191 1.00 0.00 O ATOM 0 H ASP A 65 103.672 -16.494 -2.907 1.00 0.00 H new ATOM 0 HA ASP A 65 102.721 -19.160 -3.111 1.00 0.00 H new ATOM 0 HB2 ASP A 65 102.711 -17.683 -5.036 1.00 0.00 H new ATOM 0 HB3 ASP A 65 104.424 -17.350 -4.876 1.00 0.00 H new ATOM 1123 N TYR A 66 106.008 -18.756 -2.949 1.00 0.00 N ATOM 1124 CA TYR A 66 107.254 -19.459 -2.657 1.00 0.00 C ATOM 1125 C TYR A 66 107.226 -20.037 -1.245 1.00 0.00 C ATOM 1126 O TYR A 66 107.663 -21.162 -1.014 1.00 0.00 O ATOM 1127 CB TYR A 66 108.440 -18.505 -2.805 1.00 0.00 C ATOM 1128 CG TYR A 66 109.714 -19.222 -2.420 1.00 0.00 C ATOM 1129 CD1 TYR A 66 110.176 -20.291 -3.197 1.00 0.00 C ATOM 1130 CD2 TYR A 66 110.432 -18.817 -1.289 1.00 0.00 C ATOM 1131 CE1 TYR A 66 111.357 -20.955 -2.844 1.00 0.00 C ATOM 1132 CE2 TYR A 66 111.613 -19.481 -0.935 1.00 0.00 C ATOM 1133 CZ TYR A 66 112.076 -20.549 -1.713 1.00 0.00 C ATOM 1134 OH TYR A 66 113.239 -21.205 -1.365 1.00 0.00 O ATOM 0 H TYR A 66 106.115 -17.759 -3.134 1.00 0.00 H new ATOM 0 HA TYR A 66 107.363 -20.279 -3.367 1.00 0.00 H new ATOM 0 HB2 TYR A 66 108.507 -18.148 -3.833 1.00 0.00 H new ATOM 0 HB3 TYR A 66 108.297 -17.629 -2.172 1.00 0.00 H new ATOM 0 HD1 TYR A 66 109.621 -20.604 -4.069 1.00 0.00 H new ATOM 0 HD2 TYR A 66 110.075 -17.993 -0.689 1.00 0.00 H new ATOM 0 HE1 TYR A 66 111.713 -21.780 -3.444 1.00 0.00 H new ATOM 0 HE2 TYR A 66 112.167 -19.169 -0.062 1.00 0.00 H new ATOM 0 HH TYR A 66 113.615 -20.798 -0.556 1.00 0.00 H new ATOM 1144 N TYR A 67 106.720 -19.255 -0.303 1.00 0.00 N ATOM 1145 CA TYR A 67 106.641 -19.692 1.085 1.00 0.00 C ATOM 1146 C TYR A 67 105.619 -20.813 1.243 1.00 0.00 C ATOM 1147 O TYR A 67 105.832 -21.759 2.001 1.00 0.00 O ATOM 1148 CB TYR A 67 106.256 -18.518 1.988 1.00 0.00 C ATOM 1149 CG TYR A 67 106.184 -18.983 3.421 1.00 0.00 C ATOM 1150 CD1 TYR A 67 107.345 -19.414 4.073 1.00 0.00 C ATOM 1151 CD2 TYR A 67 104.958 -18.984 4.099 1.00 0.00 C ATOM 1152 CE1 TYR A 67 107.281 -19.847 5.403 1.00 0.00 C ATOM 1153 CE2 TYR A 67 104.894 -19.416 5.429 1.00 0.00 C ATOM 1154 CZ TYR A 67 106.055 -19.847 6.081 1.00 0.00 C ATOM 1155 OH TYR A 67 105.992 -20.275 7.392 1.00 0.00 O ATOM 0 H TYR A 67 106.358 -18.316 -0.473 1.00 0.00 H new ATOM 0 HA TYR A 67 107.622 -20.067 1.378 1.00 0.00 H new ATOM 0 HB2 TYR A 67 106.989 -17.717 1.892 1.00 0.00 H new ATOM 0 HB3 TYR A 67 105.294 -18.109 1.679 1.00 0.00 H new ATOM 0 HD1 TYR A 67 108.290 -19.413 3.550 1.00 0.00 H new ATOM 0 HD2 TYR A 67 104.062 -18.651 3.596 1.00 0.00 H new ATOM 0 HE1 TYR A 67 108.176 -20.181 5.906 1.00 0.00 H new ATOM 0 HE2 TYR A 67 103.949 -19.417 5.952 1.00 0.00 H new ATOM 0 HH TYR A 67 105.068 -20.210 7.713 1.00 0.00 H new ATOM 1165 N ASN A 68 104.505 -20.692 0.531 1.00 0.00 N ATOM 1166 CA ASN A 68 103.445 -21.690 0.604 1.00 0.00 C ATOM 1167 C ASN A 68 103.936 -23.050 0.129 1.00 0.00 C ATOM 1168 O ASN A 68 103.596 -24.081 0.709 1.00 0.00 O ATOM 1169 CB ASN A 68 102.254 -21.258 -0.252 1.00 0.00 C ATOM 1170 CG ASN A 68 101.194 -22.355 -0.266 1.00 0.00 C ATOM 1171 OD1 ASN A 68 101.073 -23.115 0.694 1.00 0.00 O ATOM 1172 ND2 ASN A 68 100.418 -22.485 -1.307 1.00 0.00 N ATOM 0 H ASN A 68 104.313 -19.915 -0.102 1.00 0.00 H new ATOM 0 HA ASN A 68 103.139 -21.773 1.647 1.00 0.00 H new ATOM 0 HB2 ASN A 68 101.828 -20.335 0.142 1.00 0.00 H new ATOM 0 HB3 ASN A 68 102.584 -21.048 -1.269 1.00 0.00 H new ATOM 0 HD21 ASN A 68 99.709 -23.218 -1.326 1.00 0.00 H new ATOM 0 HD22 ASN A 68 100.520 -21.854 -2.101 1.00 0.00 H new ATOM 1179 N THR A 69 104.727 -23.049 -0.936 1.00 0.00 N ATOM 1180 CA THR A 69 105.250 -24.299 -1.490 1.00 0.00 C ATOM 1181 C THR A 69 105.847 -25.169 -0.393 1.00 0.00 C ATOM 1182 O THR A 69 105.993 -26.380 -0.559 1.00 0.00 O ATOM 1183 CB THR A 69 106.311 -23.998 -2.555 1.00 0.00 C ATOM 1184 OG1 THR A 69 107.375 -23.264 -1.965 1.00 0.00 O ATOM 1185 CG2 THR A 69 105.685 -23.170 -3.680 1.00 0.00 C ATOM 0 H THR A 69 105.020 -22.208 -1.432 1.00 0.00 H new ATOM 0 HA THR A 69 104.424 -24.843 -1.949 1.00 0.00 H new ATOM 0 HB THR A 69 106.694 -24.934 -2.962 1.00 0.00 H new ATOM 0 HG1 THR A 69 107.139 -22.313 -1.935 1.00 0.00 H new ATOM 0 HG21 THR A 69 106.439 -22.956 -4.437 1.00 0.00 H new ATOM 0 HG22 THR A 69 104.866 -23.730 -4.132 1.00 0.00 H new ATOM 0 HG23 THR A 69 105.303 -22.234 -3.273 1.00 0.00 H new ATOM 1193 N PHE A 70 106.187 -24.548 0.725 1.00 0.00 N ATOM 1194 CA PHE A 70 106.767 -25.278 1.842 1.00 0.00 C ATOM 1195 C PHE A 70 105.678 -25.772 2.790 1.00 0.00 C ATOM 1196 O PHE A 70 105.958 -26.149 3.930 1.00 0.00 O ATOM 1197 CB PHE A 70 107.747 -24.384 2.606 1.00 0.00 C ATOM 1198 CG PHE A 70 108.978 -24.155 1.765 1.00 0.00 C ATOM 1199 CD1 PHE A 70 110.013 -25.097 1.772 1.00 0.00 C ATOM 1200 CD2 PHE A 70 109.086 -23.001 0.980 1.00 0.00 C ATOM 1201 CE1 PHE A 70 111.158 -24.886 0.992 1.00 0.00 C ATOM 1202 CE2 PHE A 70 110.230 -22.790 0.201 1.00 0.00 C ATOM 1203 CZ PHE A 70 111.265 -23.732 0.206 1.00 0.00 C ATOM 0 H PHE A 70 106.073 -23.547 0.883 1.00 0.00 H new ATOM 0 HA PHE A 70 107.301 -26.140 1.443 1.00 0.00 H new ATOM 0 HB2 PHE A 70 107.275 -23.431 2.846 1.00 0.00 H new ATOM 0 HB3 PHE A 70 108.021 -24.852 3.552 1.00 0.00 H new ATOM 0 HD1 PHE A 70 109.929 -25.987 2.379 1.00 0.00 H new ATOM 0 HD2 PHE A 70 108.287 -22.274 0.975 1.00 0.00 H new ATOM 0 HE1 PHE A 70 111.957 -25.613 0.997 1.00 0.00 H new ATOM 0 HE2 PHE A 70 110.314 -21.900 -0.404 1.00 0.00 H new ATOM 0 HZ PHE A 70 112.146 -23.569 -0.396 1.00 0.00 H new ATOM 1213 N GLY A 71 104.436 -25.749 2.319 1.00 0.00 N ATOM 1214 CA GLY A 71 103.307 -26.179 3.137 1.00 0.00 C ATOM 1215 C GLY A 71 103.467 -25.695 4.576 1.00 0.00 C ATOM 1216 O GLY A 71 103.502 -26.496 5.510 1.00 0.00 O ATOM 0 H GLY A 71 104.186 -25.439 1.380 1.00 0.00 H new ATOM 0 HA2 GLY A 71 102.379 -25.789 2.718 1.00 0.00 H new ATOM 0 HA3 GLY A 71 103.233 -27.266 3.120 1.00 0.00 H new ATOM 1220 N PRO A 72 103.564 -24.404 4.767 1.00 0.00 N ATOM 1221 CA PRO A 72 103.725 -23.797 6.117 1.00 0.00 C ATOM 1222 C PRO A 72 102.406 -23.725 6.880 1.00 0.00 C ATOM 1223 O PRO A 72 101.422 -23.174 6.387 1.00 0.00 O ATOM 1224 CB PRO A 72 104.255 -22.398 5.816 1.00 0.00 C ATOM 1225 CG PRO A 72 103.769 -22.065 4.443 1.00 0.00 C ATOM 1226 CD PRO A 72 103.525 -23.383 3.711 1.00 0.00 C ATOM 0 HA PRO A 72 104.386 -24.385 6.755 1.00 0.00 H new ATOM 0 HB2 PRO A 72 103.889 -21.676 6.546 1.00 0.00 H new ATOM 0 HB3 PRO A 72 105.344 -22.374 5.862 1.00 0.00 H new ATOM 0 HG2 PRO A 72 102.852 -21.478 4.493 1.00 0.00 H new ATOM 0 HG3 PRO A 72 104.505 -21.462 3.911 1.00 0.00 H new ATOM 0 HD2 PRO A 72 102.563 -23.380 3.198 1.00 0.00 H new ATOM 0 HD3 PRO A 72 104.289 -23.564 2.955 1.00 0.00 H new ATOM 1234 N GLU A 73 102.394 -24.280 8.087 1.00 0.00 N ATOM 1235 CA GLU A 73 101.193 -24.267 8.909 1.00 0.00 C ATOM 1236 C GLU A 73 101.108 -22.974 9.712 1.00 0.00 C ATOM 1237 O GLU A 73 100.025 -22.548 10.109 1.00 0.00 O ATOM 1238 CB GLU A 73 101.200 -25.466 9.863 1.00 0.00 C ATOM 1239 CG GLU A 73 99.887 -25.508 10.646 1.00 0.00 C ATOM 1240 CD GLU A 73 99.843 -26.752 11.525 1.00 0.00 C ATOM 1241 OE1 GLU A 73 98.964 -26.827 12.367 1.00 0.00 O ATOM 1242 OE2 GLU A 73 100.688 -27.612 11.343 1.00 0.00 O ATOM 0 H GLU A 73 103.197 -24.741 8.514 1.00 0.00 H new ATOM 0 HA GLU A 73 100.325 -24.331 8.253 1.00 0.00 H new ATOM 0 HB2 GLU A 73 101.329 -26.390 9.300 1.00 0.00 H new ATOM 0 HB3 GLU A 73 102.043 -25.391 10.550 1.00 0.00 H new ATOM 0 HG2 GLU A 73 99.793 -24.614 11.262 1.00 0.00 H new ATOM 0 HG3 GLU A 73 99.043 -25.510 9.956 1.00 0.00 H new ATOM 1249 N LYS A 74 102.264 -22.367 9.963 1.00 0.00 N ATOM 1250 CA LYS A 74 102.308 -21.134 10.737 1.00 0.00 C ATOM 1251 C LYS A 74 101.649 -19.996 9.982 1.00 0.00 C ATOM 1252 O LYS A 74 100.830 -19.274 10.552 1.00 0.00 O ATOM 1253 CB LYS A 74 103.758 -20.763 11.051 1.00 0.00 C ATOM 1254 CG LYS A 74 104.556 -22.035 11.381 1.00 0.00 C ATOM 1255 CD LYS A 74 103.840 -22.817 12.484 1.00 0.00 C ATOM 1256 CE LYS A 74 104.754 -23.930 12.992 1.00 0.00 C ATOM 1257 NZ LYS A 74 104.096 -24.626 14.134 1.00 0.00 N ATOM 0 H LYS A 74 103.172 -22.705 9.645 1.00 0.00 H new ATOM 0 HA LYS A 74 101.763 -21.299 11.666 1.00 0.00 H new ATOM 0 HB2 LYS A 74 104.206 -20.251 10.199 1.00 0.00 H new ATOM 0 HB3 LYS A 74 103.793 -20.071 11.893 1.00 0.00 H new ATOM 0 HG2 LYS A 74 104.658 -22.654 10.490 1.00 0.00 H new ATOM 0 HG3 LYS A 74 105.563 -21.771 11.703 1.00 0.00 H new ATOM 0 HD2 LYS A 74 103.572 -22.149 13.303 1.00 0.00 H new ATOM 0 HD3 LYS A 74 102.912 -23.240 12.101 1.00 0.00 H new ATOM 0 HE2 LYS A 74 104.963 -24.639 12.191 1.00 0.00 H new ATOM 0 HE3 LYS A 74 105.711 -23.515 13.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 104.716 -25.385 14.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 103.919 -23.945 14.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 103.193 -25.035 13.818 1.00 0.00 H new ATOM 1271 N VAL A 75 102.006 -19.852 8.701 1.00 0.00 N ATOM 1272 CA VAL A 75 101.447 -18.794 7.860 1.00 0.00 C ATOM 1273 C VAL A 75 101.017 -17.597 8.704 1.00 0.00 C ATOM 1274 O VAL A 75 99.846 -17.473 9.060 1.00 0.00 O ATOM 1275 CB VAL A 75 100.256 -19.324 7.076 1.00 0.00 C ATOM 1276 CG1 VAL A 75 99.629 -18.184 6.273 1.00 0.00 C ATOM 1277 CG2 VAL A 75 100.742 -20.412 6.115 1.00 0.00 C ATOM 0 H VAL A 75 102.678 -20.455 8.227 1.00 0.00 H new ATOM 0 HA VAL A 75 102.221 -18.468 7.165 1.00 0.00 H new ATOM 0 HB VAL A 75 99.515 -19.736 7.761 1.00 0.00 H new ATOM 0 HG11 VAL A 75 98.775 -18.562 5.710 1.00 0.00 H new ATOM 0 HG12 VAL A 75 99.297 -17.400 6.953 1.00 0.00 H new ATOM 0 HG13 VAL A 75 100.367 -17.777 5.582 1.00 0.00 H new ATOM 0 HG21 VAL A 75 99.896 -20.800 5.547 1.00 0.00 H new ATOM 0 HG22 VAL A 75 101.477 -19.990 5.429 1.00 0.00 H new ATOM 0 HG23 VAL A 75 101.199 -21.222 6.684 1.00 0.00 H new ATOM 1287 N PRO A 76 101.935 -16.730 9.044 1.00 0.00 N ATOM 1288 CA PRO A 76 101.635 -15.529 9.876 1.00 0.00 C ATOM 1289 C PRO A 76 100.556 -14.661 9.236 1.00 0.00 C ATOM 1290 O PRO A 76 100.662 -14.270 8.075 1.00 0.00 O ATOM 1291 CB PRO A 76 102.978 -14.787 9.941 1.00 0.00 C ATOM 1292 CG PRO A 76 104.012 -15.819 9.631 1.00 0.00 C ATOM 1293 CD PRO A 76 103.354 -16.796 8.675 1.00 0.00 C ATOM 0 HA PRO A 76 101.247 -15.789 10.861 1.00 0.00 H new ATOM 0 HB2 PRO A 76 103.011 -13.969 9.222 1.00 0.00 H new ATOM 0 HB3 PRO A 76 103.140 -14.351 10.927 1.00 0.00 H new ATOM 0 HG2 PRO A 76 104.894 -15.365 9.179 1.00 0.00 H new ATOM 0 HG3 PRO A 76 104.343 -16.324 10.538 1.00 0.00 H new ATOM 0 HD2 PRO A 76 103.513 -16.509 7.635 1.00 0.00 H new ATOM 0 HD3 PRO A 76 103.753 -17.803 8.792 1.00 0.00 H new ATOM 1301 N VAL A 77 99.521 -14.365 10.006 1.00 0.00 N ATOM 1302 CA VAL A 77 98.419 -13.538 9.513 1.00 0.00 C ATOM 1303 C VAL A 77 98.770 -12.061 9.597 1.00 0.00 C ATOM 1304 O VAL A 77 98.158 -11.231 8.937 1.00 0.00 O ATOM 1305 CB VAL A 77 97.152 -13.822 10.317 1.00 0.00 C ATOM 1306 CG1 VAL A 77 95.982 -13.026 9.730 1.00 0.00 C ATOM 1307 CG2 VAL A 77 96.824 -15.332 10.256 1.00 0.00 C ATOM 0 H VAL A 77 99.416 -14.681 10.970 1.00 0.00 H new ATOM 0 HA VAL A 77 98.243 -13.789 8.467 1.00 0.00 H new ATOM 0 HB VAL A 77 97.312 -13.526 11.354 1.00 0.00 H new ATOM 0 HG11 VAL A 77 95.079 -13.230 10.305 1.00 0.00 H new ATOM 0 HG12 VAL A 77 96.208 -11.961 9.775 1.00 0.00 H new ATOM 0 HG13 VAL A 77 95.826 -13.321 8.692 1.00 0.00 H new ATOM 0 HG21 VAL A 77 95.919 -15.531 10.831 1.00 0.00 H new ATOM 0 HG22 VAL A 77 96.668 -15.629 9.219 1.00 0.00 H new ATOM 0 HG23 VAL A 77 97.653 -15.902 10.675 1.00 0.00 H new ATOM 1317 N THR A 78 99.754 -11.736 10.422 1.00 0.00 N ATOM 1318 CA THR A 78 100.166 -10.348 10.588 1.00 0.00 C ATOM 1319 C THR A 78 100.284 -9.668 9.228 1.00 0.00 C ATOM 1320 O THR A 78 100.053 -8.465 9.105 1.00 0.00 O ATOM 1321 CB THR A 78 101.514 -10.292 11.311 1.00 0.00 C ATOM 1322 OG1 THR A 78 102.531 -10.778 10.446 1.00 0.00 O ATOM 1323 CG2 THR A 78 101.458 -11.163 12.570 1.00 0.00 C ATOM 0 H THR A 78 100.279 -12.407 10.983 1.00 0.00 H new ATOM 0 HA THR A 78 99.415 -9.826 11.181 1.00 0.00 H new ATOM 0 HB THR A 78 101.733 -9.262 11.593 1.00 0.00 H new ATOM 0 HG1 THR A 78 103.396 -10.742 10.905 1.00 0.00 H new ATOM 0 HG21 THR A 78 102.418 -11.122 13.084 1.00 0.00 H new ATOM 0 HG22 THR A 78 100.676 -10.794 13.233 1.00 0.00 H new ATOM 0 HG23 THR A 78 101.240 -12.194 12.290 1.00 0.00 H new ATOM 1331 N ALA A 79 100.647 -10.441 8.212 1.00 0.00 N ATOM 1332 CA ALA A 79 100.793 -9.899 6.866 1.00 0.00 C ATOM 1333 C ALA A 79 99.486 -9.255 6.397 1.00 0.00 C ATOM 1334 O ALA A 79 99.490 -8.299 5.616 1.00 0.00 O ATOM 1335 CB ALA A 79 101.175 -11.021 5.903 1.00 0.00 C ATOM 0 H ALA A 79 100.845 -11.438 8.293 1.00 0.00 H new ATOM 0 HA ALA A 79 101.574 -9.139 6.882 1.00 0.00 H new ATOM 0 HB1 ALA A 79 101.284 -10.616 4.897 1.00 0.00 H new ATOM 0 HB2 ALA A 79 102.118 -11.466 6.219 1.00 0.00 H new ATOM 0 HB3 ALA A 79 100.396 -11.783 5.905 1.00 0.00 H new ATOM 1341 N PHE A 80 98.372 -9.780 6.892 1.00 0.00 N ATOM 1342 CA PHE A 80 97.059 -9.251 6.538 1.00 0.00 C ATOM 1343 C PHE A 80 96.807 -7.913 7.224 1.00 0.00 C ATOM 1344 O PHE A 80 96.194 -7.014 6.647 1.00 0.00 O ATOM 1345 CB PHE A 80 95.964 -10.251 6.923 1.00 0.00 C ATOM 1346 CG PHE A 80 95.920 -11.362 5.905 1.00 0.00 C ATOM 1347 CD1 PHE A 80 94.933 -11.360 4.911 1.00 0.00 C ATOM 1348 CD2 PHE A 80 96.862 -12.398 5.952 1.00 0.00 C ATOM 1349 CE1 PHE A 80 94.888 -12.391 3.966 1.00 0.00 C ATOM 1350 CE2 PHE A 80 96.816 -13.429 5.007 1.00 0.00 C ATOM 1351 CZ PHE A 80 95.830 -13.427 4.015 1.00 0.00 C ATOM 0 H PHE A 80 98.350 -10.569 7.538 1.00 0.00 H new ATOM 0 HA PHE A 80 97.036 -9.094 5.460 1.00 0.00 H new ATOM 0 HB2 PHE A 80 96.161 -10.659 7.914 1.00 0.00 H new ATOM 0 HB3 PHE A 80 94.998 -9.749 6.971 1.00 0.00 H new ATOM 0 HD1 PHE A 80 94.206 -10.562 4.874 1.00 0.00 H new ATOM 0 HD2 PHE A 80 97.624 -12.401 6.718 1.00 0.00 H new ATOM 0 HE1 PHE A 80 94.127 -12.388 3.199 1.00 0.00 H new ATOM 0 HE2 PHE A 80 97.543 -14.227 5.044 1.00 0.00 H new ATOM 0 HZ PHE A 80 95.795 -14.224 3.287 1.00 0.00 H new ATOM 1361 N SER A 81 97.280 -7.789 8.460 1.00 0.00 N ATOM 1362 CA SER A 81 97.102 -6.556 9.217 1.00 0.00 C ATOM 1363 C SER A 81 97.862 -5.411 8.558 1.00 0.00 C ATOM 1364 O SER A 81 97.374 -4.281 8.502 1.00 0.00 O ATOM 1365 CB SER A 81 97.592 -6.746 10.653 1.00 0.00 C ATOM 1366 OG SER A 81 96.901 -7.840 11.241 1.00 0.00 O ATOM 0 H SER A 81 97.786 -8.523 8.956 1.00 0.00 H new ATOM 0 HA SER A 81 96.040 -6.309 9.231 1.00 0.00 H new ATOM 0 HB2 SER A 81 98.666 -6.931 10.662 1.00 0.00 H new ATOM 0 HB3 SER A 81 97.420 -5.838 11.232 1.00 0.00 H new ATOM 0 HG SER A 81 97.213 -7.967 12.161 1.00 0.00 H new ATOM 1372 N TYR A 82 99.060 -5.709 8.066 1.00 0.00 N ATOM 1373 CA TYR A 82 99.879 -4.694 7.417 1.00 0.00 C ATOM 1374 C TYR A 82 99.170 -4.137 6.194 1.00 0.00 C ATOM 1375 O TYR A 82 99.046 -2.926 6.048 1.00 0.00 O ATOM 1376 CB TYR A 82 101.217 -5.296 6.987 1.00 0.00 C ATOM 1377 CG TYR A 82 102.251 -5.054 8.057 1.00 0.00 C ATOM 1378 CD1 TYR A 82 102.411 -5.977 9.098 1.00 0.00 C ATOM 1379 CD2 TYR A 82 103.046 -3.904 8.012 1.00 0.00 C ATOM 1380 CE1 TYR A 82 103.367 -5.748 10.094 1.00 0.00 C ATOM 1381 CE2 TYR A 82 104.003 -3.675 9.009 1.00 0.00 C ATOM 1382 CZ TYR A 82 104.163 -4.597 10.050 1.00 0.00 C ATOM 1383 OH TYR A 82 105.105 -4.371 11.032 1.00 0.00 O ATOM 0 H TYR A 82 99.482 -6.637 8.104 1.00 0.00 H new ATOM 0 HA TYR A 82 100.050 -3.888 8.130 1.00 0.00 H new ATOM 0 HB2 TYR A 82 101.105 -6.366 6.811 1.00 0.00 H new ATOM 0 HB3 TYR A 82 101.542 -4.850 6.047 1.00 0.00 H new ATOM 0 HD1 TYR A 82 101.797 -6.865 9.132 1.00 0.00 H new ATOM 0 HD2 TYR A 82 102.922 -3.193 7.209 1.00 0.00 H new ATOM 0 HE1 TYR A 82 103.491 -6.459 10.897 1.00 0.00 H new ATOM 0 HE2 TYR A 82 104.617 -2.787 8.974 1.00 0.00 H new ATOM 0 HH TYR A 82 105.697 -5.149 11.103 1.00 0.00 H new ATOM 1393 N TRP A 83 98.703 -5.027 5.323 1.00 0.00 N ATOM 1394 CA TRP A 83 98.010 -4.604 4.110 1.00 0.00 C ATOM 1395 C TRP A 83 96.818 -3.717 4.444 1.00 0.00 C ATOM 1396 O TRP A 83 96.539 -2.749 3.739 1.00 0.00 O ATOM 1397 CB TRP A 83 97.532 -5.826 3.326 1.00 0.00 C ATOM 1398 CG TRP A 83 96.601 -5.390 2.240 1.00 0.00 C ATOM 1399 CD1 TRP A 83 96.947 -4.618 1.183 1.00 0.00 C ATOM 1400 CD2 TRP A 83 95.183 -5.687 2.082 1.00 0.00 C ATOM 1401 NE1 TRP A 83 95.832 -4.423 0.388 1.00 0.00 N ATOM 1402 CE2 TRP A 83 94.719 -5.062 0.901 1.00 0.00 C ATOM 1403 CE3 TRP A 83 94.263 -6.432 2.842 1.00 0.00 C ATOM 1404 CZ2 TRP A 83 93.392 -5.171 0.488 1.00 0.00 C ATOM 1405 CZ3 TRP A 83 92.926 -6.544 2.430 1.00 0.00 C ATOM 1406 CH2 TRP A 83 92.491 -5.914 1.255 1.00 0.00 C ATOM 0 H TRP A 83 98.791 -6.037 5.433 1.00 0.00 H new ATOM 0 HA TRP A 83 98.711 -4.031 3.503 1.00 0.00 H new ATOM 0 HB2 TRP A 83 98.385 -6.353 2.898 1.00 0.00 H new ATOM 0 HB3 TRP A 83 97.027 -6.525 3.993 1.00 0.00 H new ATOM 0 HD1 TRP A 83 97.932 -4.220 0.992 1.00 0.00 H new ATOM 0 HE1 TRP A 83 95.831 -3.875 -0.472 1.00 0.00 H new ATOM 0 HE3 TRP A 83 94.588 -6.921 3.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 93.063 -4.685 -0.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 92.228 -7.119 3.021 1.00 0.00 H new ATOM 0 HH2 TRP A 83 91.461 -6.003 0.943 1.00 0.00 H new ATOM 1417 N ASN A 84 96.109 -4.061 5.506 1.00 0.00 N ATOM 1418 CA ASN A 84 94.938 -3.289 5.902 1.00 0.00 C ATOM 1419 C ASN A 84 95.316 -1.855 6.256 1.00 0.00 C ATOM 1420 O ASN A 84 94.755 -0.902 5.704 1.00 0.00 O ATOM 1421 CB ASN A 84 94.280 -3.946 7.120 1.00 0.00 C ATOM 1422 CG ASN A 84 92.791 -3.617 7.160 1.00 0.00 C ATOM 1423 OD1 ASN A 84 92.415 -2.445 7.162 1.00 0.00 O ATOM 1424 ND2 ASN A 84 91.915 -4.585 7.187 1.00 0.00 N ATOM 0 H ASN A 84 96.318 -4.860 6.105 1.00 0.00 H new ATOM 0 HA ASN A 84 94.245 -3.269 5.061 1.00 0.00 H new ATOM 0 HB2 ASN A 84 94.420 -5.026 7.079 1.00 0.00 H new ATOM 0 HB3 ASN A 84 94.761 -3.597 8.034 1.00 0.00 H new ATOM 0 HD21 ASN A 84 90.918 -4.370 7.210 1.00 0.00 H new ATOM 0 HD22 ASN A 84 92.228 -5.556 7.185 1.00 0.00 H new ATOM 1431 N LEU A 85 96.258 -1.701 7.183 1.00 0.00 N ATOM 1432 CA LEU A 85 96.675 -0.381 7.601 1.00 0.00 C ATOM 1433 C LEU A 85 97.311 0.380 6.448 1.00 0.00 C ATOM 1434 O LEU A 85 96.980 1.536 6.197 1.00 0.00 O ATOM 1435 CB LEU A 85 97.675 -0.501 8.747 1.00 0.00 C ATOM 1436 CG LEU A 85 98.140 0.899 9.176 1.00 0.00 C ATOM 1437 CD1 LEU A 85 96.937 1.736 9.614 1.00 0.00 C ATOM 1438 CD2 LEU A 85 99.117 0.779 10.341 1.00 0.00 C ATOM 0 H LEU A 85 96.738 -2.470 7.650 1.00 0.00 H new ATOM 0 HA LEU A 85 95.795 0.170 7.933 1.00 0.00 H new ATOM 0 HB2 LEU A 85 97.216 -1.017 9.590 1.00 0.00 H new ATOM 0 HB3 LEU A 85 98.531 -1.099 8.435 1.00 0.00 H new ATOM 0 HG LEU A 85 98.631 1.384 8.332 1.00 0.00 H new ATOM 0 HD11 LEU A 85 97.274 2.727 9.917 1.00 0.00 H new ATOM 0 HD12 LEU A 85 96.237 1.829 8.784 1.00 0.00 H new ATOM 0 HD13 LEU A 85 96.441 1.249 10.454 1.00 0.00 H new ATOM 0 HD21 LEU A 85 99.446 1.773 10.644 1.00 0.00 H new ATOM 0 HD22 LEU A 85 98.624 0.288 11.180 1.00 0.00 H new ATOM 0 HD23 LEU A 85 99.980 0.190 10.033 1.00 0.00 H new ATOM 1450 N ILE A 86 98.229 -0.273 5.751 1.00 0.00 N ATOM 1451 CA ILE A 86 98.907 0.362 4.630 1.00 0.00 C ATOM 1452 C ILE A 86 97.905 0.766 3.561 1.00 0.00 C ATOM 1453 O ILE A 86 98.029 1.833 2.951 1.00 0.00 O ATOM 1454 CB ILE A 86 99.962 -0.591 4.043 1.00 0.00 C ATOM 1455 CG1 ILE A 86 101.366 -0.153 4.494 1.00 0.00 C ATOM 1456 CG2 ILE A 86 99.896 -0.583 2.512 1.00 0.00 C ATOM 1457 CD1 ILE A 86 102.300 -1.358 4.469 1.00 0.00 C ATOM 0 H ILE A 86 98.520 -1.233 5.939 1.00 0.00 H new ATOM 0 HA ILE A 86 99.407 1.262 4.989 1.00 0.00 H new ATOM 0 HB ILE A 86 99.758 -1.600 4.403 1.00 0.00 H new ATOM 0 HG12 ILE A 86 101.745 0.629 3.836 1.00 0.00 H new ATOM 0 HG13 ILE A 86 101.323 0.268 5.498 1.00 0.00 H new ATOM 0 HG21 ILE A 86 100.649 -1.262 2.112 1.00 0.00 H new ATOM 0 HG22 ILE A 86 98.907 -0.907 2.189 1.00 0.00 H new ATOM 0 HG23 ILE A 86 100.086 0.426 2.145 1.00 0.00 H new ATOM 0 HD11 ILE A 86 103.297 -1.053 4.788 1.00 0.00 H new ATOM 0 HD12 ILE A 86 101.922 -2.125 5.145 1.00 0.00 H new ATOM 0 HD13 ILE A 86 102.350 -1.759 3.457 1.00 0.00 H new ATOM 1469 N LYS A 87 96.934 -0.098 3.321 1.00 0.00 N ATOM 1470 CA LYS A 87 95.940 0.163 2.296 1.00 0.00 C ATOM 1471 C LYS A 87 95.304 1.521 2.502 1.00 0.00 C ATOM 1472 O LYS A 87 95.179 2.309 1.562 1.00 0.00 O ATOM 1473 CB LYS A 87 94.858 -0.922 2.327 1.00 0.00 C ATOM 1474 CG LYS A 87 93.563 -0.378 1.714 1.00 0.00 C ATOM 1475 CD LYS A 87 92.612 -1.534 1.413 1.00 0.00 C ATOM 1476 CE LYS A 87 91.363 -0.994 0.716 1.00 0.00 C ATOM 1477 NZ LYS A 87 90.455 -2.126 0.378 1.00 0.00 N ATOM 0 H LYS A 87 96.813 -0.980 3.818 1.00 0.00 H new ATOM 0 HA LYS A 87 96.437 0.152 1.326 1.00 0.00 H new ATOM 0 HB2 LYS A 87 95.193 -1.799 1.774 1.00 0.00 H new ATOM 0 HB3 LYS A 87 94.679 -1.242 3.354 1.00 0.00 H new ATOM 0 HG2 LYS A 87 93.091 0.325 2.401 1.00 0.00 H new ATOM 0 HG3 LYS A 87 93.785 0.171 0.799 1.00 0.00 H new ATOM 0 HD2 LYS A 87 93.106 -2.271 0.779 1.00 0.00 H new ATOM 0 HD3 LYS A 87 92.336 -2.042 2.337 1.00 0.00 H new ATOM 0 HE2 LYS A 87 90.850 -0.283 1.364 1.00 0.00 H new ATOM 0 HE3 LYS A 87 91.643 -0.455 -0.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 89.605 -1.760 -0.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 90.947 -2.788 -0.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 90.179 -2.622 1.250 1.00 0.00 H new ATOM 1491 N GLU A 88 94.902 1.798 3.733 1.00 0.00 N ATOM 1492 CA GLU A 88 94.288 3.073 4.052 1.00 0.00 C ATOM 1493 C GLU A 88 95.334 4.147 4.331 1.00 0.00 C ATOM 1494 O GLU A 88 95.025 5.337 4.356 1.00 0.00 O ATOM 1495 CB GLU A 88 93.376 2.907 5.274 1.00 0.00 C ATOM 1496 CG GLU A 88 94.117 3.282 6.565 1.00 0.00 C ATOM 1497 CD GLU A 88 94.087 4.794 6.774 1.00 0.00 C ATOM 1498 OE1 GLU A 88 95.112 5.346 7.138 1.00 0.00 O ATOM 1499 OE2 GLU A 88 93.038 5.378 6.560 1.00 0.00 O ATOM 0 H GLU A 88 94.990 1.159 4.523 1.00 0.00 H new ATOM 0 HA GLU A 88 93.704 3.394 3.190 1.00 0.00 H new ATOM 0 HB2 GLU A 88 92.492 3.535 5.161 1.00 0.00 H new ATOM 0 HB3 GLU A 88 93.028 1.876 5.336 1.00 0.00 H new ATOM 0 HG2 GLU A 88 93.655 2.781 7.416 1.00 0.00 H new ATOM 0 HG3 GLU A 88 95.149 2.936 6.513 1.00 0.00 H new ATOM 1506 N LEU A 89 96.560 3.713 4.604 1.00 0.00 N ATOM 1507 CA LEU A 89 97.617 4.637 4.953 1.00 0.00 C ATOM 1508 C LEU A 89 97.861 5.620 3.829 1.00 0.00 C ATOM 1509 O LEU A 89 98.067 6.811 4.067 1.00 0.00 O ATOM 1510 CB LEU A 89 98.909 3.866 5.241 1.00 0.00 C ATOM 1511 CG LEU A 89 99.984 4.803 5.784 1.00 0.00 C ATOM 1512 CD1 LEU A 89 99.543 5.390 7.127 1.00 0.00 C ATOM 1513 CD2 LEU A 89 101.298 4.041 5.968 1.00 0.00 C ATOM 0 H LEU A 89 96.839 2.732 4.589 1.00 0.00 H new ATOM 0 HA LEU A 89 97.311 5.187 5.843 1.00 0.00 H new ATOM 0 HB2 LEU A 89 98.712 3.073 5.962 1.00 0.00 H new ATOM 0 HB3 LEU A 89 99.264 3.387 4.329 1.00 0.00 H new ATOM 0 HG LEU A 89 100.133 5.613 5.070 1.00 0.00 H new ATOM 0 HD11 LEU A 89 100.318 6.057 7.505 1.00 0.00 H new ATOM 0 HD12 LEU A 89 98.617 5.949 6.993 1.00 0.00 H new ATOM 0 HD13 LEU A 89 99.380 4.583 7.841 1.00 0.00 H new ATOM 0 HD21 LEU A 89 102.060 4.717 6.356 1.00 0.00 H new ATOM 0 HD22 LEU A 89 101.148 3.222 6.671 1.00 0.00 H new ATOM 0 HD23 LEU A 89 101.624 3.640 5.008 1.00 0.00 H new ATOM 1525 N ILE A 90 97.848 5.114 2.607 1.00 0.00 N ATOM 1526 CA ILE A 90 98.077 5.959 1.452 1.00 0.00 C ATOM 1527 C ILE A 90 96.986 7.026 1.347 1.00 0.00 C ATOM 1528 O ILE A 90 97.261 8.189 1.042 1.00 0.00 O ATOM 1529 CB ILE A 90 98.097 5.122 0.166 1.00 0.00 C ATOM 1530 CG1 ILE A 90 99.349 4.239 0.175 1.00 0.00 C ATOM 1531 CG2 ILE A 90 98.109 6.059 -1.062 1.00 0.00 C ATOM 1532 CD1 ILE A 90 99.441 3.471 -1.151 1.00 0.00 C ATOM 0 H ILE A 90 97.683 4.131 2.392 1.00 0.00 H new ATOM 0 HA ILE A 90 99.045 6.445 1.576 1.00 0.00 H new ATOM 0 HB ILE A 90 97.209 4.492 0.112 1.00 0.00 H new ATOM 0 HG12 ILE A 90 100.239 4.852 0.315 1.00 0.00 H new ATOM 0 HG13 ILE A 90 99.309 3.540 1.011 1.00 0.00 H new ATOM 0 HG21 ILE A 90 98.123 5.463 -1.974 1.00 0.00 H new ATOM 0 HG22 ILE A 90 97.216 6.685 -1.051 1.00 0.00 H new ATOM 0 HG23 ILE A 90 98.996 6.692 -1.028 1.00 0.00 H new ATOM 0 HD11 ILE A 90 100.331 2.842 -1.146 1.00 0.00 H new ATOM 0 HD12 ILE A 90 98.556 2.846 -1.272 1.00 0.00 H new ATOM 0 HD13 ILE A 90 99.501 4.179 -1.978 1.00 0.00 H new ATOM 1544 N ASP A 91 95.742 6.618 1.580 1.00 0.00 N ATOM 1545 CA ASP A 91 94.615 7.541 1.489 1.00 0.00 C ATOM 1546 C ASP A 91 94.808 8.716 2.439 1.00 0.00 C ATOM 1547 O ASP A 91 94.160 9.754 2.297 1.00 0.00 O ATOM 1548 CB ASP A 91 93.317 6.810 1.842 1.00 0.00 C ATOM 1549 CG ASP A 91 92.943 5.842 0.726 1.00 0.00 C ATOM 1550 OD1 ASP A 91 92.015 5.073 0.923 1.00 0.00 O ATOM 1551 OD2 ASP A 91 93.587 5.882 -0.309 1.00 0.00 O ATOM 0 H ASP A 91 95.490 5.662 1.831 1.00 0.00 H new ATOM 0 HA ASP A 91 94.558 7.918 0.468 1.00 0.00 H new ATOM 0 HB2 ASP A 91 93.439 6.267 2.779 1.00 0.00 H new ATOM 0 HB3 ASP A 91 92.514 7.531 1.993 1.00 0.00 H new ATOM 1556 N LYS A 92 95.706 8.551 3.403 1.00 0.00 N ATOM 1557 CA LYS A 92 95.975 9.610 4.367 1.00 0.00 C ATOM 1558 C LYS A 92 96.537 10.842 3.662 1.00 0.00 C ATOM 1559 O LYS A 92 97.466 10.742 2.862 1.00 0.00 O ATOM 1560 CB LYS A 92 96.981 9.122 5.414 1.00 0.00 C ATOM 1561 CG LYS A 92 96.811 9.922 6.707 1.00 0.00 C ATOM 1562 CD LYS A 92 97.741 9.359 7.782 1.00 0.00 C ATOM 1563 CE LYS A 92 97.606 10.193 9.057 1.00 0.00 C ATOM 1564 NZ LYS A 92 98.502 9.639 10.110 1.00 0.00 N ATOM 0 H LYS A 92 96.255 7.702 3.537 1.00 0.00 H new ATOM 0 HA LYS A 92 95.038 9.876 4.857 1.00 0.00 H new ATOM 0 HB2 LYS A 92 96.830 8.060 5.610 1.00 0.00 H new ATOM 0 HB3 LYS A 92 97.997 9.235 5.036 1.00 0.00 H new ATOM 0 HG2 LYS A 92 97.038 10.973 6.529 1.00 0.00 H new ATOM 0 HG3 LYS A 92 95.776 9.872 7.044 1.00 0.00 H new ATOM 0 HD2 LYS A 92 97.490 8.318 7.987 1.00 0.00 H new ATOM 0 HD3 LYS A 92 98.773 9.375 7.431 1.00 0.00 H new ATOM 0 HE2 LYS A 92 97.865 11.232 8.854 1.00 0.00 H new ATOM 0 HE3 LYS A 92 96.572 10.184 9.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 98.410 10.206 10.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 98.235 8.654 10.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 99.487 9.670 9.779 1.00 0.00 H new ATOM 1578 N LYS A 93 95.963 12.000 3.965 1.00 0.00 N ATOM 1579 CA LYS A 93 96.410 13.249 3.360 1.00 0.00 C ATOM 1580 C LYS A 93 97.841 13.569 3.771 1.00 0.00 C ATOM 1581 O LYS A 93 98.614 14.111 2.984 1.00 0.00 O ATOM 1582 CB LYS A 93 95.484 14.392 3.782 1.00 0.00 C ATOM 1583 CG LYS A 93 94.071 14.138 3.244 1.00 0.00 C ATOM 1584 CD LYS A 93 93.953 14.669 1.811 1.00 0.00 C ATOM 1585 CE LYS A 93 92.529 14.451 1.304 1.00 0.00 C ATOM 1586 NZ LYS A 93 92.374 15.103 -0.027 1.00 0.00 N ATOM 0 H LYS A 93 95.190 12.100 4.623 1.00 0.00 H new ATOM 0 HA LYS A 93 96.378 13.136 2.276 1.00 0.00 H new ATOM 0 HB2 LYS A 93 95.461 14.472 4.869 1.00 0.00 H new ATOM 0 HB3 LYS A 93 95.864 15.340 3.401 1.00 0.00 H new ATOM 0 HG2 LYS A 93 93.852 13.071 3.264 1.00 0.00 H new ATOM 0 HG3 LYS A 93 93.336 14.627 3.884 1.00 0.00 H new ATOM 0 HD2 LYS A 93 94.202 15.730 1.783 1.00 0.00 H new ATOM 0 HD3 LYS A 93 94.664 14.157 1.162 1.00 0.00 H new ATOM 0 HE2 LYS A 93 92.318 13.384 1.226 1.00 0.00 H new ATOM 0 HE3 LYS A 93 91.811 14.867 2.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 91.405 14.956 -0.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 92.559 16.123 0.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 93.050 14.686 -0.699 1.00 0.00 H new ATOM 1600 N GLU A 94 98.176 13.247 5.015 1.00 0.00 N ATOM 1601 CA GLU A 94 99.512 13.514 5.535 1.00 0.00 C ATOM 1602 C GLU A 94 100.542 12.609 4.856 1.00 0.00 C ATOM 1603 O GLU A 94 101.270 11.872 5.520 1.00 0.00 O ATOM 1604 CB GLU A 94 99.543 13.286 7.047 1.00 0.00 C ATOM 1605 CG GLU A 94 100.814 13.910 7.631 1.00 0.00 C ATOM 1606 CD GLU A 94 100.815 13.767 9.148 1.00 0.00 C ATOM 1607 OE1 GLU A 94 99.962 13.058 9.657 1.00 0.00 O ATOM 1608 OE2 GLU A 94 101.670 14.366 9.780 1.00 0.00 O ATOM 0 H GLU A 94 97.544 12.802 5.680 1.00 0.00 H new ATOM 0 HA GLU A 94 99.763 14.553 5.323 1.00 0.00 H new ATOM 0 HB2 GLU A 94 98.661 13.729 7.511 1.00 0.00 H new ATOM 0 HB3 GLU A 94 99.516 12.218 7.265 1.00 0.00 H new ATOM 0 HG2 GLU A 94 101.694 13.423 7.211 1.00 0.00 H new ATOM 0 HG3 GLU A 94 100.871 14.963 7.357 1.00 0.00 H new ATOM 1615 N VAL A 95 100.589 12.663 3.527 1.00 0.00 N ATOM 1616 CA VAL A 95 101.525 11.842 2.770 1.00 0.00 C ATOM 1617 C VAL A 95 102.955 12.309 3.012 1.00 0.00 C ATOM 1618 O VAL A 95 103.223 13.508 3.106 1.00 0.00 O ATOM 1619 CB VAL A 95 101.205 11.925 1.277 1.00 0.00 C ATOM 1620 CG1 VAL A 95 99.808 11.364 1.023 1.00 0.00 C ATOM 1621 CG2 VAL A 95 101.256 13.389 0.829 1.00 0.00 C ATOM 0 H VAL A 95 99.993 13.263 2.957 1.00 0.00 H new ATOM 0 HA VAL A 95 101.428 10.809 3.103 1.00 0.00 H new ATOM 0 HB VAL A 95 101.936 11.344 0.714 1.00 0.00 H new ATOM 0 HG11 VAL A 95 99.580 11.423 -0.041 1.00 0.00 H new ATOM 0 HG12 VAL A 95 99.770 10.323 1.345 1.00 0.00 H new ATOM 0 HG13 VAL A 95 99.075 11.944 1.584 1.00 0.00 H new ATOM 0 HG21 VAL A 95 101.028 13.452 -0.235 1.00 0.00 H new ATOM 0 HG22 VAL A 95 100.523 13.967 1.392 1.00 0.00 H new ATOM 0 HG23 VAL A 95 102.253 13.791 1.011 1.00 0.00 H new ATOM 1631 N ASN A 96 103.868 11.352 3.123 1.00 0.00 N ATOM 1632 CA ASN A 96 105.264 11.675 3.366 1.00 0.00 C ATOM 1633 C ASN A 96 105.828 12.518 2.224 1.00 0.00 C ATOM 1634 O ASN A 96 105.293 12.511 1.113 1.00 0.00 O ATOM 1635 CB ASN A 96 106.084 10.387 3.509 1.00 0.00 C ATOM 1636 CG ASN A 96 106.371 10.113 4.982 1.00 0.00 C ATOM 1637 OD1 ASN A 96 107.523 10.151 5.414 1.00 0.00 O ATOM 1638 ND2 ASN A 96 105.380 9.834 5.784 1.00 0.00 N ATOM 0 H ASN A 96 103.667 10.355 3.049 1.00 0.00 H new ATOM 0 HA ASN A 96 105.328 12.249 4.290 1.00 0.00 H new ATOM 0 HB2 ASN A 96 105.539 9.549 3.074 1.00 0.00 H new ATOM 0 HB3 ASN A 96 107.020 10.479 2.958 1.00 0.00 H new ATOM 0 HD21 ASN A 96 105.559 9.647 6.771 1.00 0.00 H new ATOM 0 HD22 ASN A 96 104.426 9.803 5.424 1.00 0.00 H new ATOM 1645 N PRO A 97 106.898 13.225 2.475 1.00 0.00 N ATOM 1646 CA PRO A 97 107.566 14.087 1.452 1.00 0.00 C ATOM 1647 C PRO A 97 107.924 13.311 0.194 1.00 0.00 C ATOM 1648 O PRO A 97 108.281 13.899 -0.826 1.00 0.00 O ATOM 1649 CB PRO A 97 108.818 14.614 2.166 1.00 0.00 C ATOM 1650 CG PRO A 97 108.991 13.752 3.373 1.00 0.00 C ATOM 1651 CD PRO A 97 107.598 13.291 3.765 1.00 0.00 C ATOM 0 HA PRO A 97 106.914 14.889 1.105 1.00 0.00 H new ATOM 0 HB2 PRO A 97 109.692 14.557 1.517 1.00 0.00 H new ATOM 0 HB3 PRO A 97 108.697 15.660 2.447 1.00 0.00 H new ATOM 0 HG2 PRO A 97 109.636 12.901 3.155 1.00 0.00 H new ATOM 0 HG3 PRO A 97 109.460 14.308 4.185 1.00 0.00 H new ATOM 0 HD2 PRO A 97 107.619 12.322 4.263 1.00 0.00 H new ATOM 0 HD3 PRO A 97 107.119 13.991 4.449 1.00 0.00 H new ATOM 1659 N GLN A 98 107.826 11.992 0.273 1.00 0.00 N ATOM 1660 CA GLN A 98 108.140 11.145 -0.872 1.00 0.00 C ATOM 1661 C GLN A 98 107.474 11.679 -2.132 1.00 0.00 C ATOM 1662 O GLN A 98 107.821 11.279 -3.236 1.00 0.00 O ATOM 1663 CB GLN A 98 107.664 9.716 -0.605 1.00 0.00 C ATOM 1664 CG GLN A 98 106.195 9.582 -1.014 1.00 0.00 C ATOM 1665 CD GLN A 98 105.546 8.414 -0.276 1.00 0.00 C ATOM 1666 OE1 GLN A 98 106.066 7.962 0.743 1.00 0.00 O ATOM 1667 NE2 GLN A 98 104.436 7.899 -0.729 1.00 0.00 N ATOM 0 H GLN A 98 107.534 11.487 1.110 1.00 0.00 H new ATOM 0 HA GLN A 98 109.220 11.148 -1.020 1.00 0.00 H new ATOM 0 HB2 GLN A 98 108.274 9.008 -1.165 1.00 0.00 H new ATOM 0 HB3 GLN A 98 107.782 9.473 0.451 1.00 0.00 H new ATOM 0 HG2 GLN A 98 105.662 10.505 -0.788 1.00 0.00 H new ATOM 0 HG3 GLN A 98 106.122 9.427 -2.090 1.00 0.00 H new ATOM 0 HE21 GLN A 98 104.007 8.276 -1.574 1.00 0.00 H new ATOM 0 HE22 GLN A 98 103.998 7.120 -0.238 1.00 0.00 H new ATOM 1676 N VAL A 99 106.509 12.571 -1.957 1.00 0.00 N ATOM 1677 CA VAL A 99 105.794 13.139 -3.097 1.00 0.00 C ATOM 1678 C VAL A 99 106.754 13.883 -4.020 1.00 0.00 C ATOM 1679 O VAL A 99 106.729 13.696 -5.236 1.00 0.00 O ATOM 1680 CB VAL A 99 104.714 14.103 -2.602 1.00 0.00 C ATOM 1681 CG1 VAL A 99 104.042 14.780 -3.798 1.00 0.00 C ATOM 1682 CG2 VAL A 99 103.665 13.329 -1.796 1.00 0.00 C ATOM 0 H VAL A 99 106.204 12.916 -1.047 1.00 0.00 H new ATOM 0 HA VAL A 99 105.332 12.324 -3.655 1.00 0.00 H new ATOM 0 HB VAL A 99 105.172 14.862 -1.967 1.00 0.00 H new ATOM 0 HG11 VAL A 99 103.273 15.466 -3.443 1.00 0.00 H new ATOM 0 HG12 VAL A 99 104.787 15.334 -4.369 1.00 0.00 H new ATOM 0 HG13 VAL A 99 103.586 14.023 -4.436 1.00 0.00 H new ATOM 0 HG21 VAL A 99 102.896 14.017 -1.444 1.00 0.00 H new ATOM 0 HG22 VAL A 99 103.209 12.568 -2.429 1.00 0.00 H new ATOM 0 HG23 VAL A 99 104.143 12.851 -0.941 1.00 0.00 H new ATOM 1692 N MET A 100 107.602 14.720 -3.434 1.00 0.00 N ATOM 1693 CA MET A 100 108.570 15.481 -4.214 1.00 0.00 C ATOM 1694 C MET A 100 109.588 14.553 -4.867 1.00 0.00 C ATOM 1695 O MET A 100 109.977 14.752 -6.017 1.00 0.00 O ATOM 1696 CB MET A 100 109.292 16.484 -3.315 1.00 0.00 C ATOM 1697 CG MET A 100 108.350 17.646 -2.993 1.00 0.00 C ATOM 1698 SD MET A 100 109.151 18.762 -1.815 1.00 0.00 S ATOM 1699 CE MET A 100 110.428 19.406 -2.925 1.00 0.00 C ATOM 0 H MET A 100 107.639 14.888 -2.429 1.00 0.00 H new ATOM 0 HA MET A 100 108.033 16.016 -4.998 1.00 0.00 H new ATOM 0 HB2 MET A 100 109.615 15.998 -2.395 1.00 0.00 H new ATOM 0 HB3 MET A 100 110.189 16.855 -3.812 1.00 0.00 H new ATOM 0 HG2 MET A 100 108.095 18.185 -3.905 1.00 0.00 H new ATOM 0 HG3 MET A 100 107.417 17.267 -2.575 1.00 0.00 H new ATOM 0 HE1 MET A 100 110.771 20.375 -2.562 1.00 0.00 H new ATOM 0 HE2 MET A 100 111.268 18.712 -2.955 1.00 0.00 H new ATOM 0 HE3 MET A 100 110.015 19.520 -3.927 1.00 0.00 H new ATOM 1709 N ALA A 101 110.014 13.539 -4.129 1.00 0.00 N ATOM 1710 CA ALA A 101 110.986 12.575 -4.629 1.00 0.00 C ATOM 1711 C ALA A 101 110.313 11.550 -5.544 1.00 0.00 C ATOM 1712 O ALA A 101 110.980 10.791 -6.244 1.00 0.00 O ATOM 1713 CB ALA A 101 111.660 11.852 -3.454 1.00 0.00 C ATOM 0 H ALA A 101 109.700 13.361 -3.175 1.00 0.00 H new ATOM 0 HA ALA A 101 111.738 13.115 -5.204 1.00 0.00 H new ATOM 0 HB1 ALA A 101 112.385 11.133 -3.836 1.00 0.00 H new ATOM 0 HB2 ALA A 101 112.169 12.580 -2.823 1.00 0.00 H new ATOM 0 HB3 ALA A 101 110.905 11.328 -2.868 1.00 0.00 H new ATOM 1719 N ALA A 102 108.989 11.534 -5.513 1.00 0.00 N ATOM 1720 CA ALA A 102 108.218 10.601 -6.331 1.00 0.00 C ATOM 1721 C ALA A 102 107.849 11.216 -7.677 1.00 0.00 C ATOM 1722 O ALA A 102 107.465 10.508 -8.608 1.00 0.00 O ATOM 1723 CB ALA A 102 106.954 10.178 -5.590 1.00 0.00 C ATOM 0 H ALA A 102 108.424 12.154 -4.933 1.00 0.00 H new ATOM 0 HA ALA A 102 108.840 9.726 -6.518 1.00 0.00 H new ATOM 0 HB1 ALA A 102 106.386 9.483 -6.208 1.00 0.00 H new ATOM 0 HB2 ALA A 102 107.227 9.692 -4.653 1.00 0.00 H new ATOM 0 HB3 ALA A 102 106.345 11.057 -5.379 1.00 0.00 H new ATOM 1729 N VAL A 103 107.966 12.534 -7.773 1.00 0.00 N ATOM 1730 CA VAL A 103 107.643 13.238 -9.007 1.00 0.00 C ATOM 1731 C VAL A 103 108.737 13.035 -10.048 1.00 0.00 C ATOM 1732 O VAL A 103 108.646 13.543 -11.165 1.00 0.00 O ATOM 1733 CB VAL A 103 107.466 14.731 -8.729 1.00 0.00 C ATOM 1734 CG1 VAL A 103 107.164 15.463 -10.037 1.00 0.00 C ATOM 1735 CG2 VAL A 103 106.301 14.932 -7.756 1.00 0.00 C ATOM 0 H VAL A 103 108.282 13.136 -7.013 1.00 0.00 H new ATOM 0 HA VAL A 103 106.711 12.831 -9.398 1.00 0.00 H new ATOM 0 HB VAL A 103 108.382 15.129 -8.292 1.00 0.00 H new ATOM 0 HG11 VAL A 103 107.038 16.527 -9.838 1.00 0.00 H new ATOM 0 HG12 VAL A 103 107.990 15.320 -10.733 1.00 0.00 H new ATOM 0 HG13 VAL A 103 106.248 15.065 -10.474 1.00 0.00 H new ATOM 0 HG21 VAL A 103 106.173 15.996 -7.556 1.00 0.00 H new ATOM 0 HG22 VAL A 103 105.387 14.533 -8.195 1.00 0.00 H new ATOM 0 HG23 VAL A 103 106.513 14.411 -6.822 1.00 0.00 H new ATOM 1745 N ALA A 104 109.777 12.296 -9.674 1.00 0.00 N ATOM 1746 CA ALA A 104 110.885 12.041 -10.585 1.00 0.00 C ATOM 1747 C ALA A 104 110.396 11.340 -11.846 1.00 0.00 C ATOM 1748 O ALA A 104 110.888 11.604 -12.943 1.00 0.00 O ATOM 1749 CB ALA A 104 111.937 11.173 -9.891 1.00 0.00 C ATOM 0 H ALA A 104 109.875 11.867 -8.754 1.00 0.00 H new ATOM 0 HA ALA A 104 111.327 12.997 -10.867 1.00 0.00 H new ATOM 0 HB1 ALA A 104 112.763 10.985 -10.576 1.00 0.00 H new ATOM 0 HB2 ALA A 104 112.309 11.690 -9.007 1.00 0.00 H new ATOM 0 HB3 ALA A 104 111.489 10.225 -9.595 1.00 0.00 H new ATOM 1755 N GLN A 105 109.426 10.446 -11.685 1.00 0.00 N ATOM 1756 CA GLN A 105 108.879 9.715 -12.821 1.00 0.00 C ATOM 1757 C GLN A 105 107.359 9.633 -12.723 1.00 0.00 C ATOM 1758 O GLN A 105 106.820 9.039 -11.789 1.00 0.00 O ATOM 1759 CB GLN A 105 109.466 8.304 -12.866 1.00 0.00 C ATOM 1760 CG GLN A 105 110.959 8.383 -13.191 1.00 0.00 C ATOM 1761 CD GLN A 105 111.573 6.987 -13.157 1.00 0.00 C ATOM 1762 OE1 GLN A 105 110.874 6.006 -12.902 1.00 0.00 O ATOM 1763 NE2 GLN A 105 112.847 6.839 -13.401 1.00 0.00 N ATOM 0 H GLN A 105 109.005 10.212 -10.786 1.00 0.00 H new ATOM 0 HA GLN A 105 109.145 10.248 -13.734 1.00 0.00 H new ATOM 0 HB2 GLN A 105 109.317 7.806 -11.908 1.00 0.00 H new ATOM 0 HB3 GLN A 105 108.950 7.708 -13.619 1.00 0.00 H new ATOM 0 HG2 GLN A 105 111.103 8.829 -14.175 1.00 0.00 H new ATOM 0 HG3 GLN A 105 111.463 9.029 -12.472 1.00 0.00 H new ATOM 0 HE21 GLN A 105 113.424 7.653 -13.612 1.00 0.00 H new ATOM 0 HE22 GLN A 105 113.265 5.909 -13.381 1.00 0.00 H new ATOM 1772 N THR A 106 106.675 10.230 -13.693 1.00 0.00 N ATOM 1773 CA THR A 106 105.215 10.218 -13.709 1.00 0.00 C ATOM 1774 C THR A 106 104.697 9.253 -14.770 1.00 0.00 C ATOM 1775 O THR A 106 103.491 9.162 -14.999 1.00 0.00 O ATOM 1776 CB THR A 106 104.684 11.626 -13.990 1.00 0.00 C ATOM 1777 OG1 THR A 106 105.169 12.070 -15.248 1.00 0.00 O ATOM 1778 CG2 THR A 106 105.151 12.583 -12.890 1.00 0.00 C ATOM 0 H THR A 106 107.104 10.726 -14.474 1.00 0.00 H new ATOM 0 HA THR A 106 104.863 9.886 -12.732 1.00 0.00 H new ATOM 0 HB THR A 106 103.594 11.606 -14.007 1.00 0.00 H new ATOM 0 HG1 THR A 106 104.829 12.971 -15.430 1.00 0.00 H new ATOM 0 HG21 THR A 106 104.771 13.584 -13.093 1.00 0.00 H new ATOM 0 HG22 THR A 106 104.774 12.241 -11.926 1.00 0.00 H new ATOM 0 HG23 THR A 106 106.240 12.606 -12.866 1.00 0.00 H new ATOM 1786 N GLU A 107 105.616 8.541 -15.414 1.00 0.00 N ATOM 1787 CA GLU A 107 105.242 7.587 -16.454 1.00 0.00 C ATOM 1788 C GLU A 107 105.422 6.157 -15.958 1.00 0.00 C ATOM 1789 O GLU A 107 106.107 5.918 -14.963 1.00 0.00 O ATOM 1790 CB GLU A 107 106.108 7.805 -17.694 1.00 0.00 C ATOM 1791 CG GLU A 107 105.826 9.195 -18.274 1.00 0.00 C ATOM 1792 CD GLU A 107 106.762 9.473 -19.446 1.00 0.00 C ATOM 1793 OE1 GLU A 107 107.598 8.627 -19.723 1.00 0.00 O ATOM 1794 OE2 GLU A 107 106.632 10.526 -20.046 1.00 0.00 O ATOM 0 H GLU A 107 106.618 8.605 -15.237 1.00 0.00 H new ATOM 0 HA GLU A 107 104.193 7.745 -16.706 1.00 0.00 H new ATOM 0 HB2 GLU A 107 107.163 7.714 -17.435 1.00 0.00 H new ATOM 0 HB3 GLU A 107 105.896 7.038 -18.439 1.00 0.00 H new ATOM 0 HG2 GLU A 107 104.789 9.256 -18.604 1.00 0.00 H new ATOM 0 HG3 GLU A 107 105.961 9.954 -17.503 1.00 0.00 H new ATOM 1801 N GLU A 108 104.808 5.209 -16.660 1.00 0.00 N ATOM 1802 CA GLU A 108 104.912 3.806 -16.281 1.00 0.00 C ATOM 1803 C GLU A 108 106.175 3.193 -16.874 1.00 0.00 C ATOM 1804 O GLU A 108 106.389 3.241 -18.085 1.00 0.00 O ATOM 1805 CB GLU A 108 103.686 3.037 -16.778 1.00 0.00 C ATOM 1806 CG GLU A 108 102.446 3.507 -16.017 1.00 0.00 C ATOM 1807 CD GLU A 108 101.202 2.817 -16.567 1.00 0.00 C ATOM 1808 OE1 GLU A 108 101.349 1.995 -17.455 1.00 0.00 O ATOM 1809 OE2 GLU A 108 100.121 3.121 -16.091 1.00 0.00 O ATOM 0 H GLU A 108 104.238 5.386 -17.487 1.00 0.00 H new ATOM 0 HA GLU A 108 104.961 3.741 -15.194 1.00 0.00 H new ATOM 0 HB2 GLU A 108 103.552 3.198 -17.848 1.00 0.00 H new ATOM 0 HB3 GLU A 108 103.831 1.967 -16.632 1.00 0.00 H new ATOM 0 HG2 GLU A 108 102.555 3.285 -14.955 1.00 0.00 H new ATOM 0 HG3 GLU A 108 102.342 4.588 -16.108 1.00 0.00 H new ATOM 1816 N ILE A 109 107.010 2.622 -16.016 1.00 0.00 N ATOM 1817 CA ILE A 109 108.250 2.009 -16.472 1.00 0.00 C ATOM 1818 C ILE A 109 107.976 1.020 -17.600 1.00 0.00 C ATOM 1819 O ILE A 109 108.861 0.707 -18.395 1.00 0.00 O ATOM 1820 CB ILE A 109 108.931 1.284 -15.301 1.00 0.00 C ATOM 1821 CG1 ILE A 109 107.971 0.235 -14.716 1.00 0.00 C ATOM 1822 CG2 ILE A 109 109.296 2.295 -14.205 1.00 0.00 C ATOM 1823 CD1 ILE A 109 108.731 -0.676 -13.754 1.00 0.00 C ATOM 0 H ILE A 109 106.853 2.571 -15.009 1.00 0.00 H new ATOM 0 HA ILE A 109 108.908 2.792 -16.848 1.00 0.00 H new ATOM 0 HB ILE A 109 109.836 0.795 -15.663 1.00 0.00 H new ATOM 0 HG12 ILE A 109 107.151 0.729 -14.194 1.00 0.00 H new ATOM 0 HG13 ILE A 109 107.528 -0.355 -15.518 1.00 0.00 H new ATOM 0 HG21 ILE A 109 109.779 1.776 -13.377 1.00 0.00 H new ATOM 0 HG22 ILE A 109 109.978 3.042 -14.612 1.00 0.00 H new ATOM 0 HG23 ILE A 109 108.391 2.786 -13.847 1.00 0.00 H new ATOM 0 HD11 ILE A 109 108.049 -1.419 -13.341 1.00 0.00 H new ATOM 0 HD12 ILE A 109 109.535 -1.180 -14.289 1.00 0.00 H new ATOM 0 HD13 ILE A 109 109.152 -0.080 -12.944 1.00 0.00 H new ATOM 1835 N LEU A 110 106.749 0.525 -17.659 1.00 0.00 N ATOM 1836 CA LEU A 110 106.374 -0.431 -18.693 1.00 0.00 C ATOM 1837 C LEU A 110 106.472 0.214 -20.073 1.00 0.00 C ATOM 1838 O LEU A 110 106.959 -0.400 -21.022 1.00 0.00 O ATOM 1839 CB LEU A 110 104.939 -0.910 -18.460 1.00 0.00 C ATOM 1840 CG LEU A 110 104.882 -1.738 -17.174 1.00 0.00 C ATOM 1841 CD1 LEU A 110 103.425 -2.044 -16.824 1.00 0.00 C ATOM 1842 CD2 LEU A 110 105.650 -3.054 -17.359 1.00 0.00 C ATOM 0 H LEU A 110 106.000 0.766 -17.009 1.00 0.00 H new ATOM 0 HA LEU A 110 107.057 -1.279 -18.646 1.00 0.00 H new ATOM 0 HB2 LEU A 110 104.266 -0.056 -18.386 1.00 0.00 H new ATOM 0 HB3 LEU A 110 104.602 -1.509 -19.306 1.00 0.00 H new ATOM 0 HG LEU A 110 105.340 -1.168 -16.366 1.00 0.00 H new ATOM 0 HD11 LEU A 110 103.387 -2.634 -15.908 1.00 0.00 H new ATOM 0 HD12 LEU A 110 102.882 -1.110 -16.677 1.00 0.00 H new ATOM 0 HD13 LEU A 110 102.966 -2.607 -17.637 1.00 0.00 H new ATOM 0 HD21 LEU A 110 105.603 -3.635 -16.438 1.00 0.00 H new ATOM 0 HD22 LEU A 110 105.202 -3.625 -18.172 1.00 0.00 H new ATOM 0 HD23 LEU A 110 106.691 -2.837 -17.598 1.00 0.00 H new ATOM 1854 N LYS A 111 106.003 1.454 -20.174 1.00 0.00 N ATOM 1855 CA LYS A 111 106.035 2.174 -21.437 1.00 0.00 C ATOM 1856 C LYS A 111 107.473 2.444 -21.861 1.00 0.00 C ATOM 1857 O LYS A 111 107.785 2.475 -23.052 1.00 0.00 O ATOM 1858 CB LYS A 111 105.273 3.495 -21.313 1.00 0.00 C ATOM 1859 CG LYS A 111 105.173 4.157 -22.691 1.00 0.00 C ATOM 1860 CD LYS A 111 104.358 5.447 -22.576 1.00 0.00 C ATOM 1861 CE LYS A 111 104.235 6.099 -23.954 1.00 0.00 C ATOM 1862 NZ LYS A 111 103.476 7.376 -23.833 1.00 0.00 N ATOM 0 H LYS A 111 105.598 1.977 -19.398 1.00 0.00 H new ATOM 0 HA LYS A 111 105.555 1.557 -22.197 1.00 0.00 H new ATOM 0 HB2 LYS A 111 104.276 3.316 -20.910 1.00 0.00 H new ATOM 0 HB3 LYS A 111 105.784 4.158 -20.615 1.00 0.00 H new ATOM 0 HG2 LYS A 111 106.169 4.376 -23.075 1.00 0.00 H new ATOM 0 HG3 LYS A 111 104.701 3.477 -23.400 1.00 0.00 H new ATOM 0 HD2 LYS A 111 103.368 5.229 -22.176 1.00 0.00 H new ATOM 0 HD3 LYS A 111 104.840 6.133 -21.879 1.00 0.00 H new ATOM 0 HE2 LYS A 111 105.225 6.290 -24.368 1.00 0.00 H new ATOM 0 HE3 LYS A 111 103.726 5.425 -24.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 103.392 7.820 -24.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 102.527 7.181 -23.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 103.979 8.019 -23.189 1.00 0.00 H new ATOM 1876 N SER A 112 108.344 2.658 -20.877 1.00 0.00 N ATOM 1877 CA SER A 112 109.742 2.943 -21.166 1.00 0.00 C ATOM 1878 C SER A 112 110.368 1.815 -21.977 1.00 0.00 C ATOM 1879 O SER A 112 111.027 2.057 -22.989 1.00 0.00 O ATOM 1880 CB SER A 112 110.518 3.117 -19.859 1.00 0.00 C ATOM 1881 OG SER A 112 110.034 4.263 -19.170 1.00 0.00 O ATOM 0 H SER A 112 108.108 2.639 -19.885 1.00 0.00 H new ATOM 0 HA SER A 112 109.789 3.863 -21.748 1.00 0.00 H new ATOM 0 HB2 SER A 112 110.405 2.230 -19.236 1.00 0.00 H new ATOM 0 HB3 SER A 112 111.582 3.227 -20.067 1.00 0.00 H new ATOM 0 HG SER A 112 110.529 4.374 -18.332 1.00 0.00 H new ATOM 1887 N ASN A 113 110.148 0.584 -21.534 1.00 0.00 N ATOM 1888 CA ASN A 113 110.695 -0.573 -22.238 1.00 0.00 C ATOM 1889 C ASN A 113 110.134 -0.653 -23.654 1.00 0.00 C ATOM 1890 O ASN A 113 110.876 -0.848 -24.615 1.00 0.00 O ATOM 1891 CB ASN A 113 110.345 -1.859 -21.481 1.00 0.00 C ATOM 1892 CG ASN A 113 110.934 -1.812 -20.075 1.00 0.00 C ATOM 1893 OD1 ASN A 113 110.479 -2.532 -19.186 1.00 0.00 O ATOM 1894 ND2 ASN A 113 111.927 -1.006 -19.821 1.00 0.00 N ATOM 0 H ASN A 113 109.602 0.360 -20.702 1.00 0.00 H new ATOM 0 HA ASN A 113 111.778 -0.462 -22.291 1.00 0.00 H new ATOM 0 HB2 ASN A 113 109.263 -1.976 -21.427 1.00 0.00 H new ATOM 0 HB3 ASN A 113 110.733 -2.724 -22.018 1.00 0.00 H new ATOM 0 HD21 ASN A 113 112.329 -0.971 -18.884 1.00 0.00 H new ATOM 0 HD22 ASN A 113 112.302 -0.411 -20.559 1.00 0.00 H new ATOM 1901 N SER A 114 108.823 -0.488 -23.775 1.00 0.00 N ATOM 1902 CA SER A 114 108.178 -0.532 -25.083 1.00 0.00 C ATOM 1903 C SER A 114 106.792 0.099 -25.015 1.00 0.00 C ATOM 1904 O SER A 114 106.213 0.220 -23.941 1.00 0.00 O ATOM 1905 CB SER A 114 108.060 -1.977 -25.563 1.00 0.00 C ATOM 1906 OG SER A 114 107.339 -2.735 -24.601 1.00 0.00 O ATOM 0 H SER A 114 108.190 -0.324 -22.992 1.00 0.00 H new ATOM 0 HA SER A 114 108.790 0.032 -25.787 1.00 0.00 H new ATOM 0 HB2 SER A 114 107.551 -2.012 -26.526 1.00 0.00 H new ATOM 0 HB3 SER A 114 109.051 -2.405 -25.711 1.00 0.00 H new ATOM 0 HG SER A 114 106.530 -3.103 -25.014 1.00 0.00 H new ATOM 1912 N GLN A 115 106.262 0.488 -26.170 1.00 0.00 N ATOM 1913 CA GLN A 115 104.938 1.100 -26.226 1.00 0.00 C ATOM 1914 C GLN A 115 103.907 0.099 -26.735 1.00 0.00 C ATOM 1915 O GLN A 115 102.787 0.467 -27.078 1.00 0.00 O ATOM 1916 CB GLN A 115 104.967 2.322 -27.145 1.00 0.00 C ATOM 1917 CG GLN A 115 105.844 3.410 -26.524 1.00 0.00 C ATOM 1918 CD GLN A 115 105.955 4.597 -27.474 1.00 0.00 C ATOM 1919 OE1 GLN A 115 105.336 4.602 -28.538 1.00 0.00 O ATOM 1920 NE2 GLN A 115 106.712 5.609 -27.152 1.00 0.00 N ATOM 0 H GLN A 115 106.724 0.392 -27.074 1.00 0.00 H new ATOM 0 HA GLN A 115 104.658 1.411 -25.220 1.00 0.00 H new ATOM 0 HB2 GLN A 115 105.355 2.044 -28.125 1.00 0.00 H new ATOM 0 HB3 GLN A 115 103.956 2.699 -27.298 1.00 0.00 H new ATOM 0 HG2 GLN A 115 105.419 3.733 -25.574 1.00 0.00 H new ATOM 0 HG3 GLN A 115 106.836 3.011 -26.310 1.00 0.00 H new ATOM 0 HE21 GLN A 115 107.224 5.603 -26.270 1.00 0.00 H new ATOM 0 HE22 GLN A 115 106.792 6.407 -27.782 1.00 0.00 H new ATOM 1929 N THR A 116 104.293 -1.170 -26.783 1.00 0.00 N ATOM 1930 CA THR A 116 103.390 -2.217 -27.256 1.00 0.00 C ATOM 1931 C THR A 116 102.217 -2.385 -26.297 1.00 0.00 C ATOM 1932 O THR A 116 101.179 -2.937 -26.661 1.00 0.00 O ATOM 1933 CB THR A 116 104.145 -3.540 -27.382 1.00 0.00 C ATOM 1934 OG1 THR A 116 104.686 -3.896 -26.117 1.00 0.00 O ATOM 1935 CG2 THR A 116 105.277 -3.391 -28.400 1.00 0.00 C ATOM 0 H THR A 116 105.217 -1.499 -26.503 1.00 0.00 H new ATOM 0 HA THR A 116 103.005 -1.926 -28.233 1.00 0.00 H new ATOM 0 HB THR A 116 103.460 -4.319 -27.718 1.00 0.00 H new ATOM 0 HG1 THR A 116 105.169 -4.745 -26.195 1.00 0.00 H new ATOM 0 HG21 THR A 116 105.814 -4.336 -28.488 1.00 0.00 H new ATOM 0 HG22 THR A 116 104.861 -3.118 -29.370 1.00 0.00 H new ATOM 0 HG23 THR A 116 105.964 -2.613 -28.069 1.00 0.00 H new ATOM 1943 N ASP A 117 102.390 -1.910 -25.069 1.00 0.00 N ATOM 1944 CA ASP A 117 101.337 -2.012 -24.065 1.00 0.00 C ATOM 1945 C ASP A 117 100.268 -0.950 -24.292 1.00 0.00 C ATOM 1946 O ASP A 117 99.201 -1.236 -24.839 1.00 0.00 O ATOM 1947 CB ASP A 117 101.933 -1.851 -22.664 1.00 0.00 C ATOM 1948 CG ASP A 117 102.683 -3.120 -22.262 1.00 0.00 C ATOM 1949 OD1 ASP A 117 102.526 -4.117 -22.947 1.00 0.00 O ATOM 1950 OD2 ASP A 117 103.396 -3.077 -21.272 1.00 0.00 O ATOM 0 H ASP A 117 103.243 -1.454 -24.746 1.00 0.00 H new ATOM 0 HA ASP A 117 100.875 -2.995 -24.153 1.00 0.00 H new ATOM 0 HB2 ASP A 117 102.611 -0.998 -22.645 1.00 0.00 H new ATOM 0 HB3 ASP A 117 101.140 -1.645 -21.945 1.00 0.00 H new ATOM 1955 N LEU A 118 100.556 0.272 -23.866 1.00 0.00 N ATOM 1956 CA LEU A 118 99.610 1.370 -24.025 1.00 0.00 C ATOM 1957 C LEU A 118 99.357 1.657 -25.498 1.00 0.00 C ATOM 1958 O LEU A 118 98.226 1.929 -25.903 1.00 0.00 O ATOM 1959 CB LEU A 118 100.150 2.629 -23.340 1.00 0.00 C ATOM 1960 CG LEU A 118 99.927 2.524 -21.826 1.00 0.00 C ATOM 1961 CD1 LEU A 118 100.663 3.664 -21.121 1.00 0.00 C ATOM 1962 CD2 LEU A 118 98.428 2.610 -21.505 1.00 0.00 C ATOM 0 H LEU A 118 101.432 0.528 -23.410 1.00 0.00 H new ATOM 0 HA LEU A 118 98.668 1.079 -23.561 1.00 0.00 H new ATOM 0 HB2 LEU A 118 101.212 2.745 -23.555 1.00 0.00 H new ATOM 0 HB3 LEU A 118 99.647 3.513 -23.732 1.00 0.00 H new ATOM 0 HG LEU A 118 100.312 1.566 -21.477 1.00 0.00 H new ATOM 0 HD11 LEU A 118 100.504 3.589 -20.045 1.00 0.00 H new ATOM 0 HD12 LEU A 118 101.729 3.597 -21.336 1.00 0.00 H new ATOM 0 HD13 LEU A 118 100.281 4.620 -21.478 1.00 0.00 H new ATOM 0 HD21 LEU A 118 98.282 2.534 -20.428 1.00 0.00 H new ATOM 0 HD22 LEU A 118 98.034 3.563 -21.859 1.00 0.00 H new ATOM 0 HD23 LEU A 118 97.902 1.794 -22.001 1.00 0.00 H new ATOM 1974 N GLU A 119 100.418 1.601 -26.295 1.00 0.00 N ATOM 1975 CA GLU A 119 100.303 1.858 -27.726 1.00 0.00 C ATOM 1976 C GLU A 119 99.659 3.218 -27.969 1.00 0.00 C ATOM 1977 O GLU A 119 98.436 3.326 -28.064 1.00 0.00 O ATOM 1978 CB GLU A 119 99.458 0.767 -28.385 1.00 0.00 C ATOM 1979 CG GLU A 119 100.182 -0.575 -28.279 1.00 0.00 C ATOM 1980 CD GLU A 119 99.316 -1.684 -28.866 1.00 0.00 C ATOM 1981 OE1 GLU A 119 98.251 -1.371 -29.373 1.00 0.00 O ATOM 1982 OE2 GLU A 119 99.730 -2.830 -28.801 1.00 0.00 O ATOM 0 H GLU A 119 101.362 1.381 -25.977 1.00 0.00 H new ATOM 0 HA GLU A 119 101.302 1.855 -28.162 1.00 0.00 H new ATOM 0 HB2 GLU A 119 98.483 0.705 -27.901 1.00 0.00 H new ATOM 0 HB3 GLU A 119 99.279 1.014 -29.432 1.00 0.00 H new ATOM 0 HG2 GLU A 119 101.133 -0.527 -28.809 1.00 0.00 H new ATOM 0 HG3 GLU A 119 100.409 -0.794 -27.235 1.00 0.00 H new ATOM 1989 N HIS A 120 100.489 4.251 -28.066 1.00 0.00 N ATOM 1990 CA HIS A 120 99.992 5.604 -28.296 1.00 0.00 C ATOM 1991 C HIS A 120 100.789 6.282 -29.404 1.00 0.00 C ATOM 1992 O HIS A 120 101.998 6.081 -29.520 1.00 0.00 O ATOM 1993 CB HIS A 120 100.101 6.427 -27.013 1.00 0.00 C ATOM 1994 CG HIS A 120 99.316 7.700 -27.166 1.00 0.00 C ATOM 1995 ND1 HIS A 120 97.936 7.735 -27.047 1.00 0.00 N ATOM 1996 CD2 HIS A 120 99.701 8.992 -27.430 1.00 0.00 C ATOM 1997 CE1 HIS A 120 97.543 9.008 -27.236 1.00 0.00 C ATOM 1998 NE2 HIS A 120 98.581 9.815 -27.473 1.00 0.00 N ATOM 0 H HIS A 120 101.504 4.179 -27.990 1.00 0.00 H new ATOM 0 HA HIS A 120 98.947 5.541 -28.598 1.00 0.00 H new ATOM 0 HB2 HIS A 120 99.723 5.853 -26.167 1.00 0.00 H new ATOM 0 HB3 HIS A 120 101.146 6.655 -26.802 1.00 0.00 H new ATOM 0 HD2 HIS A 120 100.719 9.319 -27.581 1.00 0.00 H new ATOM 0 HE1 HIS A 120 96.515 9.337 -27.200 1.00 0.00 H new ATOM 0 HE2 HIS A 120 98.557 10.820 -27.648 1.00 0.00 H new ATOM 2007 N HIS A 121 100.100 7.081 -30.217 1.00 0.00 N ATOM 2008 CA HIS A 121 100.751 7.784 -31.319 1.00 0.00 C ATOM 2009 C HIS A 121 100.620 9.293 -31.139 1.00 0.00 C ATOM 2010 O HIS A 121 99.635 9.779 -30.582 1.00 0.00 O ATOM 2011 CB HIS A 121 100.118 7.369 -32.648 1.00 0.00 C ATOM 2012 CG HIS A 121 100.244 5.880 -32.818 1.00 0.00 C ATOM 2013 ND1 HIS A 121 101.467 5.257 -33.016 1.00 0.00 N ATOM 2014 CD2 HIS A 121 99.307 4.877 -32.821 1.00 0.00 C ATOM 2015 CE1 HIS A 121 101.235 3.936 -33.130 1.00 0.00 C ATOM 2016 NE2 HIS A 121 99.935 3.650 -33.019 1.00 0.00 N ATOM 0 H HIS A 121 99.099 7.256 -30.134 1.00 0.00 H new ATOM 0 HA HIS A 121 101.808 7.519 -31.323 1.00 0.00 H new ATOM 0 HB2 HIS A 121 99.068 7.661 -32.670 1.00 0.00 H new ATOM 0 HB3 HIS A 121 100.610 7.883 -33.474 1.00 0.00 H new ATOM 0 HD2 HIS A 121 98.244 5.018 -32.690 1.00 0.00 H new ATOM 0 HE1 HIS A 121 102.006 3.197 -33.292 1.00 0.00 H new ATOM 0 HE2 HIS A 121 99.496 2.730 -33.069 1.00 0.00 H new ATOM 2025 N HIS A 122 101.619 10.028 -31.615 1.00 0.00 N ATOM 2026 CA HIS A 122 101.607 11.483 -31.500 1.00 0.00 C ATOM 2027 C HIS A 122 101.110 12.117 -32.795 1.00 0.00 C ATOM 2028 O HIS A 122 101.474 11.686 -33.888 1.00 0.00 O ATOM 2029 CB HIS A 122 103.013 11.997 -31.186 1.00 0.00 C ATOM 2030 CG HIS A 122 103.444 11.488 -29.838 1.00 0.00 C ATOM 2031 ND1 HIS A 122 102.627 11.575 -28.722 1.00 0.00 N ATOM 2032 CD2 HIS A 122 104.602 10.889 -29.410 1.00 0.00 C ATOM 2033 CE1 HIS A 122 103.298 11.040 -27.685 1.00 0.00 C ATOM 2034 NE2 HIS A 122 104.507 10.606 -28.050 1.00 0.00 N ATOM 0 H HIS A 122 102.442 9.645 -32.081 1.00 0.00 H new ATOM 0 HA HIS A 122 100.932 11.758 -30.689 1.00 0.00 H new ATOM 0 HB2 HIS A 122 103.713 11.665 -31.953 1.00 0.00 H new ATOM 0 HB3 HIS A 122 103.024 13.087 -31.195 1.00 0.00 H new ATOM 0 HD2 HIS A 122 105.457 10.670 -30.033 1.00 0.00 H new ATOM 0 HE1 HIS A 122 102.907 10.970 -26.681 1.00 0.00 H new ATOM 0 HE2 HIS A 122 105.210 10.162 -27.459 1.00 0.00 H new ATOM 2043 N HIS A 123 100.272 13.141 -32.661 1.00 0.00 N ATOM 2044 CA HIS A 123 99.727 13.824 -33.830 1.00 0.00 C ATOM 2045 C HIS A 123 100.849 14.389 -34.693 1.00 0.00 C ATOM 2046 O HIS A 123 100.850 14.216 -35.912 1.00 0.00 O ATOM 2047 CB HIS A 123 98.805 14.960 -33.386 1.00 0.00 C ATOM 2048 CG HIS A 123 97.590 14.385 -32.713 1.00 0.00 C ATOM 2049 ND1 HIS A 123 96.629 13.669 -33.409 1.00 0.00 N ATOM 2050 CD2 HIS A 123 97.164 14.413 -31.407 1.00 0.00 C ATOM 2051 CE1 HIS A 123 95.682 13.297 -32.527 1.00 0.00 C ATOM 2052 NE2 HIS A 123 95.960 13.726 -31.292 1.00 0.00 N ATOM 0 H HIS A 123 99.958 13.513 -31.765 1.00 0.00 H new ATOM 0 HA HIS A 123 99.160 13.102 -34.417 1.00 0.00 H new ATOM 0 HB2 HIS A 123 99.333 15.625 -32.702 1.00 0.00 H new ATOM 0 HB3 HIS A 123 98.508 15.559 -34.247 1.00 0.00 H new ATOM 0 HD2 HIS A 123 97.685 14.895 -30.593 1.00 0.00 H new ATOM 0 HE1 HIS A 123 94.805 12.722 -32.786 1.00 0.00 H new ATOM 0 HE2 HIS A 123 95.408 13.581 -30.447 1.00 0.00 H new ATOM 2061 N HIS A 124 101.803 15.061 -34.053 1.00 0.00 N ATOM 2062 CA HIS A 124 102.930 15.648 -34.770 1.00 0.00 C ATOM 2063 C HIS A 124 104.231 14.952 -34.383 1.00 0.00 C ATOM 2064 O HIS A 124 104.602 14.914 -33.210 1.00 0.00 O ATOM 2065 CB HIS A 124 103.031 17.140 -34.451 1.00 0.00 C ATOM 2066 CG HIS A 124 101.793 17.843 -34.940 1.00 0.00 C ATOM 2067 ND1 HIS A 124 101.623 18.201 -36.268 1.00 0.00 N ATOM 2068 CD2 HIS A 124 100.658 18.258 -34.291 1.00 0.00 C ATOM 2069 CE1 HIS A 124 100.425 18.805 -36.374 1.00 0.00 C ATOM 2070 NE2 HIS A 124 99.795 18.866 -35.198 1.00 0.00 N ATOM 0 H HIS A 124 101.818 15.212 -33.044 1.00 0.00 H new ATOM 0 HA HIS A 124 102.766 15.517 -35.840 1.00 0.00 H new ATOM 0 HB2 HIS A 124 103.145 17.286 -33.377 1.00 0.00 H new ATOM 0 HB3 HIS A 124 103.915 17.565 -34.926 1.00 0.00 H new ATOM 0 HD2 HIS A 124 100.464 18.132 -33.236 1.00 0.00 H new ATOM 0 HE1 HIS A 124 100.022 19.193 -37.298 1.00 0.00 H new ATOM 0 HE2 HIS A 124 98.879 19.271 -35.006 1.00 0.00 H new ATOM 2079 N HIS A 125 104.921 14.405 -35.378 1.00 0.00 N ATOM 2080 CA HIS A 125 106.182 13.715 -35.133 1.00 0.00 C ATOM 2081 C HIS A 125 107.361 14.648 -35.388 1.00 0.00 C ATOM 2082 O HIS A 125 107.571 15.008 -36.534 1.00 0.00 O ATOM 2083 CB HIS A 125 106.293 12.490 -36.042 1.00 0.00 C ATOM 2084 CG HIS A 125 107.697 11.954 -35.994 1.00 0.00 C ATOM 2085 ND1 HIS A 125 108.170 11.209 -34.925 1.00 0.00 N ATOM 2086 CD2 HIS A 125 108.745 12.051 -36.876 1.00 0.00 C ATOM 2087 CE1 HIS A 125 109.450 10.888 -35.190 1.00 0.00 C ATOM 2088 NE2 HIS A 125 109.850 11.377 -36.366 1.00 0.00 N ATOM 2089 OXT HIS A 125 108.038 14.988 -34.432 1.00 0.00 O ATOM 0 H HIS A 125 104.631 14.426 -36.356 1.00 0.00 H new ATOM 0 HA HIS A 125 106.203 13.397 -34.091 1.00 0.00 H new ATOM 0 HB2 HIS A 125 105.588 11.722 -35.723 1.00 0.00 H new ATOM 0 HB3 HIS A 125 106.030 12.758 -37.065 1.00 0.00 H new ATOM 0 HD2 HIS A 125 108.716 12.571 -37.822 1.00 0.00 H new ATOM 0 HE1 HIS A 125 110.077 10.306 -34.531 1.00 0.00 H new ATOM 0 HE2 HIS A 125 110.769 11.278 -36.798 1.00 0.00 H new TER 2098 HIS A 125