USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 750 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 LYS NZ :NH3+ -138:sc= -3.03! (180deg=-6.4!) USER MOD Set 1.2: A 93 TYR OH : rot -81:sc= -0.924! USER MOD Set 1.3: A 97 ASN : amide:sc= -3.72! C(o=-7.7!,f=-13!) USER MOD Set 2.1: A 46 THR OG1 : rot 180:sc= -0.183 USER MOD Set 2.2: A 65 HIS : no HD1:sc= 0 X(o=-0.18,f=-0.099) USER MOD Set 3.1: A 48 SER OG : rot 3:sc= -0.818! USER MOD Set 3.2: A 63 HIS :FLIP no HD1:sc= -3.53! C(o=-14!,f=-4.4!) USER MOD Single : A 5 ASN : amide:sc= -0.322 K(o=-0.32,f=-1!) USER MOD Single : A 8 THR OG1 : rot -21:sc= 0.285 USER MOD Single : A 9 TYR OH : rot 180:sc= -0.823! USER MOD Single : A 12 TYR OH : rot -48:sc= -7.46! USER MOD Single : A 13 ASN : amide:sc= -19.8! C(o=-20!,f=-29!) USER MOD Single : A 14 LYS NZ :NH3+ 168:sc= -2.38! (180deg=-2.82!) USER MOD Single : A 15 SER OG : rot -57:sc= 1.14 USER MOD Single : A 17 SER OG : rot 140:sc= -4.82! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0249) USER MOD Single : A 28 THR OG1 : rot -129:sc= -7.56! USER MOD Single : A 30 LYS NZ :NH3+ -167:sc= 0.761 (180deg=0.153!) USER MOD Single : A 35 MET CE :methyl 163:sc= -19.1! (180deg=-22.4!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 71:sc= -2.79! USER MOD Single : A 52 LYS NZ :NH3+ -130:sc= -2.12! (180deg=-5.66!) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -122:sc= -2.88! (180deg=-7.28!) USER MOD Single : A 64 TYR OH : rot -116:sc= -13.6! USER MOD Single : A 67 LYS NZ :NH3+ -164:sc= -0.992! (180deg=-2.09!) USER MOD Single : A 69 THR OG1 : rot 150:sc= -3.59! USER MOD Single : A 76 TYR OH : rot 63:sc= 2.06 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -160:sc= -6.03! USER MOD Single : A 92 GLN : amide:sc= -3.57! C(o=-3.6!,f=-7.3!) USER MOD Single : A 94 HIS :FLIP no HE2:sc= -23! C(o=-31!,f=-23!) USER MOD Single : A 95 GLN :FLIP amide:sc= -4.07! C(o=-5.4!,f=-4.1!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot -62:sc= -0.064 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot 84:sc= 0.295 USER MOD ----------------------------------------------------------------- ATOM 21 N ASN A 5 -1.380 11.876 7.068 1.00 0.00 N ATOM 22 CA ASN A 5 -1.836 11.033 8.167 1.00 0.00 C ATOM 23 C ASN A 5 -1.894 9.570 7.741 1.00 0.00 C ATOM 24 O ASN A 5 -2.605 8.766 8.341 1.00 0.00 O ATOM 25 CB ASN A 5 -3.214 11.490 8.653 1.00 0.00 C ATOM 26 CG ASN A 5 -3.876 12.458 7.692 1.00 0.00 C ATOM 27 OD1 ASN A 5 -3.402 13.578 7.496 1.00 0.00 O ATOM 28 ND2 ASN A 5 -4.978 12.031 7.088 1.00 0.00 N ATOM 0 HA ASN A 5 -1.121 11.128 8.985 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -3.856 10.619 8.787 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.113 11.964 9.629 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -5.468 12.639 6.431 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -5.335 11.095 7.280 1.00 0.00 H new ATOM 35 N LEU A 6 -1.138 9.233 6.699 1.00 0.00 N ATOM 36 CA LEU A 6 -1.104 7.863 6.192 1.00 0.00 C ATOM 37 C LEU A 6 -0.213 6.993 7.068 1.00 0.00 C ATOM 38 O LEU A 6 -0.621 5.934 7.547 1.00 0.00 O ATOM 39 CB LEU A 6 -0.572 7.874 4.759 1.00 0.00 C ATOM 40 CG LEU A 6 -1.180 6.829 3.835 1.00 0.00 C ATOM 41 CD1 LEU A 6 -2.572 7.254 3.405 1.00 0.00 C ATOM 42 CD2 LEU A 6 -0.291 6.607 2.622 1.00 0.00 C ATOM 0 H LEU A 6 -0.543 9.887 6.191 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.112 7.449 6.209 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.747 8.861 4.331 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.508 7.726 4.788 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.257 5.887 4.379 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.996 6.498 2.744 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.207 7.364 4.284 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.515 8.206 2.877 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.742 5.857 1.973 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.183 7.543 2.074 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.690 6.262 2.948 1.00 0.00 H new ATOM 54 N GLU A 7 0.997 7.472 7.277 1.00 0.00 N ATOM 55 CA GLU A 7 1.985 6.793 8.101 1.00 0.00 C ATOM 56 C GLU A 7 1.453 6.547 9.508 1.00 0.00 C ATOM 57 O GLU A 7 2.034 5.780 10.276 1.00 0.00 O ATOM 58 CB GLU A 7 3.270 7.619 8.170 1.00 0.00 C ATOM 59 CG GLU A 7 3.568 8.165 9.556 1.00 0.00 C ATOM 60 CD GLU A 7 4.566 9.307 9.531 1.00 0.00 C ATOM 61 OE1 GLU A 7 4.472 10.158 8.621 1.00 0.00 O ATOM 62 OE2 GLU A 7 5.440 9.351 10.422 1.00 0.00 O ATOM 0 H GLU A 7 1.328 8.350 6.878 1.00 0.00 H new ATOM 0 HA GLU A 7 2.199 5.828 7.642 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.107 7.001 7.844 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.196 8.451 7.469 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.640 8.508 10.014 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.956 7.362 10.183 1.00 0.00 H new ATOM 69 N THR A 8 0.352 7.210 9.847 1.00 0.00 N ATOM 70 CA THR A 8 -0.244 7.068 11.169 1.00 0.00 C ATOM 71 C THR A 8 -1.234 5.911 11.219 1.00 0.00 C ATOM 72 O THR A 8 -1.643 5.483 12.298 1.00 0.00 O ATOM 73 CB THR A 8 -0.936 8.367 11.585 1.00 0.00 C ATOM 74 OG1 THR A 8 -1.442 8.264 12.904 1.00 0.00 O ATOM 75 CG2 THR A 8 -2.087 8.748 10.679 1.00 0.00 C ATOM 0 H THR A 8 -0.144 7.849 9.226 1.00 0.00 H new ATOM 0 HA THR A 8 0.562 6.850 11.870 1.00 0.00 H new ATOM 0 HB THR A 8 -0.170 9.139 11.515 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.539 7.319 13.144 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.534 9.678 11.030 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.720 8.883 9.662 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.837 7.958 10.692 1.00 0.00 H new ATOM 83 N TYR A 9 -1.625 5.405 10.055 1.00 0.00 N ATOM 84 CA TYR A 9 -2.569 4.308 9.994 1.00 0.00 C ATOM 85 C TYR A 9 -1.876 2.967 10.162 1.00 0.00 C ATOM 86 O TYR A 9 -0.649 2.886 10.207 1.00 0.00 O ATOM 87 CB TYR A 9 -3.330 4.329 8.675 1.00 0.00 C ATOM 88 CG TYR A 9 -4.350 5.429 8.616 1.00 0.00 C ATOM 89 CD1 TYR A 9 -3.985 6.706 8.230 1.00 0.00 C ATOM 90 CD2 TYR A 9 -5.672 5.194 8.961 1.00 0.00 C ATOM 91 CE1 TYR A 9 -4.907 7.725 8.186 1.00 0.00 C ATOM 92 CE2 TYR A 9 -6.606 6.206 8.924 1.00 0.00 C ATOM 93 CZ TYR A 9 -6.222 7.475 8.533 1.00 0.00 C ATOM 94 OH TYR A 9 -7.150 8.492 8.493 1.00 0.00 O ATOM 0 H TYR A 9 -1.302 5.739 9.147 1.00 0.00 H new ATOM 0 HA TYR A 9 -3.271 4.437 10.818 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -2.623 4.449 7.854 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.827 3.370 8.531 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.959 6.906 7.959 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.974 4.202 9.263 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -4.605 8.716 7.882 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.632 6.009 9.199 1.00 0.00 H new ATOM 0 HH TYR A 9 -8.026 8.147 8.766 1.00 0.00 H new ATOM 104 N GLU A 10 -2.680 1.919 10.266 1.00 0.00 N ATOM 105 CA GLU A 10 -2.160 0.575 10.442 1.00 0.00 C ATOM 106 C GLU A 10 -1.650 0.004 9.135 1.00 0.00 C ATOM 107 O GLU A 10 -1.608 -1.213 8.961 1.00 0.00 O ATOM 108 CB GLU A 10 -3.247 -0.344 10.997 1.00 0.00 C ATOM 109 CG GLU A 10 -4.645 0.242 10.907 1.00 0.00 C ATOM 110 CD GLU A 10 -5.680 -0.605 11.621 1.00 0.00 C ATOM 111 OE1 GLU A 10 -5.284 -1.565 12.316 1.00 0.00 O ATOM 112 OE2 GLU A 10 -6.886 -0.309 11.485 1.00 0.00 O ATOM 0 H GLU A 10 -3.698 1.976 10.231 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.330 0.635 11.145 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.223 -1.289 10.455 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.023 -0.569 12.040 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.643 1.244 11.336 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.925 0.344 9.859 1.00 0.00 H new ATOM 119 N TRP A 11 -1.289 0.867 8.198 1.00 0.00 N ATOM 120 CA TRP A 11 -0.832 0.379 6.917 1.00 0.00 C ATOM 121 C TRP A 11 0.217 1.272 6.248 1.00 0.00 C ATOM 122 O TRP A 11 0.477 1.125 5.058 1.00 0.00 O ATOM 123 CB TRP A 11 -2.043 0.220 6.009 1.00 0.00 C ATOM 124 CG TRP A 11 -3.181 1.122 6.382 1.00 0.00 C ATOM 125 CD1 TRP A 11 -4.253 0.827 7.176 1.00 0.00 C ATOM 126 CD2 TRP A 11 -3.357 2.473 5.965 1.00 0.00 C ATOM 127 NE1 TRP A 11 -5.090 1.914 7.260 1.00 0.00 N ATOM 128 CE2 TRP A 11 -4.563 2.934 6.514 1.00 0.00 C ATOM 129 CE3 TRP A 11 -2.612 3.332 5.172 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -5.041 4.217 6.283 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -3.084 4.609 4.946 1.00 0.00 C ATOM 132 CH2 TRP A 11 -4.291 5.039 5.495 1.00 0.00 C ATOM 0 H TRP A 11 -1.304 1.882 8.300 1.00 0.00 H new ATOM 0 HA TRP A 11 -0.333 -0.575 7.089 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -1.747 0.425 4.980 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -2.382 -0.815 6.043 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -4.418 -0.121 7.666 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -5.960 1.954 7.791 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -1.678 3.007 4.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -5.974 4.552 6.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.508 5.287 4.333 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.638 6.041 5.293 1.00 0.00 H new ATOM 143 N TYR A 12 0.849 2.178 6.982 1.00 0.00 N ATOM 144 CA TYR A 12 1.863 3.008 6.371 1.00 0.00 C ATOM 145 C TYR A 12 3.252 2.551 6.772 1.00 0.00 C ATOM 146 O TYR A 12 3.488 2.147 7.911 1.00 0.00 O ATOM 147 CB TYR A 12 1.688 4.478 6.709 1.00 0.00 C ATOM 148 CG TYR A 12 2.385 5.361 5.700 1.00 0.00 C ATOM 149 CD1 TYR A 12 3.765 5.512 5.716 1.00 0.00 C ATOM 150 CD2 TYR A 12 1.670 5.994 4.701 1.00 0.00 C ATOM 151 CE1 TYR A 12 4.407 6.285 4.770 1.00 0.00 C ATOM 152 CE2 TYR A 12 2.302 6.760 3.747 1.00 0.00 C ATOM 153 CZ TYR A 12 3.672 6.906 3.786 1.00 0.00 C ATOM 154 OH TYR A 12 4.308 7.673 2.837 1.00 0.00 O ATOM 0 H TYR A 12 0.681 2.350 7.973 1.00 0.00 H new ATOM 0 HA TYR A 12 1.745 2.898 5.293 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.626 4.723 6.737 1.00 0.00 H new ATOM 0 HB3 TYR A 12 2.087 4.674 7.704 1.00 0.00 H new ATOM 0 HD1 TYR A 12 4.345 5.017 6.481 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.596 5.886 4.668 1.00 0.00 H new ATOM 0 HE1 TYR A 12 5.480 6.402 4.802 1.00 0.00 H new ATOM 0 HE2 TYR A 12 1.727 7.244 2.972 1.00 0.00 H new ATOM 0 HH TYR A 12 4.934 8.285 3.277 1.00 0.00 H new ATOM 164 N ASN A 13 4.163 2.607 5.815 1.00 0.00 N ATOM 165 CA ASN A 13 5.531 2.190 6.036 1.00 0.00 C ATOM 166 C ASN A 13 6.492 3.362 5.840 1.00 0.00 C ATOM 167 O ASN A 13 6.570 3.945 4.758 1.00 0.00 O ATOM 168 CB ASN A 13 5.845 1.041 5.085 1.00 0.00 C ATOM 169 CG ASN A 13 6.073 -0.265 5.816 1.00 0.00 C ATOM 170 OD1 ASN A 13 7.149 -0.856 5.738 1.00 0.00 O ATOM 171 ND2 ASN A 13 5.050 -0.723 6.529 1.00 0.00 N ATOM 0 H ASN A 13 3.974 2.941 4.870 1.00 0.00 H new ATOM 0 HA ASN A 13 5.656 1.848 7.063 1.00 0.00 H new ATOM 0 HB2 ASN A 13 5.023 0.921 4.380 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.732 1.288 4.501 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.138 -1.600 7.042 1.00 0.00 H new ATOM 0 HD22 ASN A 13 4.177 -0.197 6.564 1.00 0.00 H new ATOM 178 N LYS A 14 7.196 3.718 6.912 1.00 0.00 N ATOM 179 CA LYS A 14 8.131 4.841 6.898 1.00 0.00 C ATOM 180 C LYS A 14 9.037 4.844 5.671 1.00 0.00 C ATOM 181 O LYS A 14 10.124 4.267 5.683 1.00 0.00 O ATOM 182 CB LYS A 14 8.988 4.834 8.160 1.00 0.00 C ATOM 183 CG LYS A 14 9.814 6.097 8.332 1.00 0.00 C ATOM 184 CD LYS A 14 9.313 6.940 9.492 1.00 0.00 C ATOM 185 CE LYS A 14 8.595 8.189 9.004 1.00 0.00 C ATOM 186 NZ LYS A 14 7.774 7.918 7.793 1.00 0.00 N ATOM 0 H LYS A 14 7.135 3.239 7.811 1.00 0.00 H new ATOM 0 HA LYS A 14 7.525 5.746 6.860 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.342 4.710 9.029 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.655 3.973 8.133 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.857 5.830 8.500 1.00 0.00 H new ATOM 0 HG3 LYS A 14 9.779 6.683 7.414 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.637 6.348 10.108 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.153 7.226 10.125 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.955 8.574 9.798 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.327 8.965 8.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.147 8.728 7.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.399 7.773 6.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.201 7.064 7.946 1.00 0.00 H new ATOM 200 N SER A 15 8.582 5.520 4.626 1.00 0.00 N ATOM 201 CA SER A 15 9.338 5.638 3.383 1.00 0.00 C ATOM 202 C SER A 15 10.164 4.391 3.135 1.00 0.00 C ATOM 203 O SER A 15 11.180 4.428 2.441 1.00 0.00 O ATOM 204 CB SER A 15 10.248 6.868 3.431 1.00 0.00 C ATOM 205 OG SER A 15 11.184 6.851 2.366 1.00 0.00 O ATOM 0 H SER A 15 7.683 6.001 4.613 1.00 0.00 H new ATOM 0 HA SER A 15 8.629 5.752 2.563 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.644 7.774 3.374 1.00 0.00 H new ATOM 0 HB3 SER A 15 10.777 6.896 4.384 1.00 0.00 H new ATOM 0 HG SER A 15 11.710 6.025 2.406 1.00 0.00 H new ATOM 211 N ILE A 16 9.716 3.289 3.710 1.00 0.00 N ATOM 212 CA ILE A 16 10.411 2.019 3.556 1.00 0.00 C ATOM 213 C ILE A 16 10.421 1.575 2.097 1.00 0.00 C ATOM 214 O ILE A 16 11.452 1.640 1.427 1.00 0.00 O ATOM 215 CB ILE A 16 9.771 0.919 4.418 1.00 0.00 C ATOM 216 CG1 ILE A 16 8.878 1.537 5.493 1.00 0.00 C ATOM 217 CG2 ILE A 16 10.846 0.050 5.054 1.00 0.00 C ATOM 218 CD1 ILE A 16 8.687 0.649 6.702 1.00 0.00 C ATOM 0 H ILE A 16 8.876 3.246 4.287 1.00 0.00 H new ATOM 0 HA ILE A 16 11.436 2.174 3.891 1.00 0.00 H new ATOM 0 HB ILE A 16 9.154 0.290 3.776 1.00 0.00 H new ATOM 0 HG12 ILE A 16 9.311 2.485 5.813 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.903 1.762 5.060 1.00 0.00 H new ATOM 0 HG21 ILE A 16 10.376 -0.724 5.661 1.00 0.00 H new ATOM 0 HG22 ILE A 16 11.446 -0.416 4.273 1.00 0.00 H new ATOM 0 HG23 ILE A 16 11.487 0.667 5.684 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.043 1.151 7.424 1.00 0.00 H new ATOM 0 HD12 ILE A 16 8.226 -0.290 6.395 1.00 0.00 H new ATOM 0 HD13 ILE A 16 9.655 0.445 7.160 1.00 0.00 H new ATOM 230 N SER A 17 9.268 1.130 1.612 1.00 0.00 N ATOM 231 CA SER A 17 9.140 0.680 0.235 1.00 0.00 C ATOM 232 C SER A 17 8.195 -0.509 0.153 1.00 0.00 C ATOM 233 O SER A 17 7.999 -1.223 1.137 1.00 0.00 O ATOM 234 CB SER A 17 10.510 0.300 -0.333 1.00 0.00 C ATOM 235 OG SER A 17 10.379 -0.421 -1.544 1.00 0.00 O ATOM 0 H SER A 17 8.407 1.072 2.155 1.00 0.00 H new ATOM 0 HA SER A 17 8.730 1.498 -0.357 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.098 1.201 -0.505 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.054 -0.302 0.395 1.00 0.00 H new ATOM 0 HG SER A 17 11.067 -0.126 -2.176 1.00 0.00 H new ATOM 241 N ARG A 18 7.611 -0.720 -1.018 1.00 0.00 N ATOM 242 CA ARG A 18 6.692 -1.827 -1.207 1.00 0.00 C ATOM 243 C ARG A 18 7.378 -3.144 -0.871 1.00 0.00 C ATOM 244 O ARG A 18 6.735 -4.087 -0.414 1.00 0.00 O ATOM 245 CB ARG A 18 6.176 -1.851 -2.647 1.00 0.00 C ATOM 246 CG ARG A 18 7.198 -2.364 -3.650 1.00 0.00 C ATOM 247 CD ARG A 18 7.046 -1.682 -4.999 1.00 0.00 C ATOM 248 NE ARG A 18 8.334 -1.464 -5.650 1.00 0.00 N ATOM 249 CZ ARG A 18 8.821 -2.253 -6.601 1.00 0.00 C ATOM 250 NH1 ARG A 18 8.130 -3.308 -7.008 1.00 0.00 N ATOM 251 NH2 ARG A 18 10.001 -1.989 -7.146 1.00 0.00 N ATOM 0 H ARG A 18 7.758 -0.142 -1.845 1.00 0.00 H new ATOM 0 HA ARG A 18 5.843 -1.693 -0.536 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.286 -2.478 -2.695 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.873 -0.844 -2.933 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.204 -2.193 -3.266 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.082 -3.441 -3.771 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.412 -2.291 -5.644 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.540 -0.726 -4.867 1.00 0.00 H new ATOM 0 HE ARG A 18 8.891 -0.661 -5.358 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.223 -3.515 -6.591 1.00 0.00 H new ATOM 0 HH12 ARG A 18 8.506 -3.913 -7.738 1.00 0.00 H new ATOM 0 HH21 ARG A 18 10.537 -1.179 -6.835 1.00 0.00 H new ATOM 0 HH22 ARG A 18 10.373 -2.596 -7.876 1.00 0.00 H new ATOM 265 N ASP A 19 8.692 -3.199 -1.084 1.00 0.00 N ATOM 266 CA ASP A 19 9.449 -4.408 -0.779 1.00 0.00 C ATOM 267 C ASP A 19 9.465 -4.640 0.724 1.00 0.00 C ATOM 268 O ASP A 19 9.284 -5.762 1.203 1.00 0.00 O ATOM 269 CB ASP A 19 10.879 -4.292 -1.310 1.00 0.00 C ATOM 270 CG ASP A 19 11.291 -2.853 -1.555 1.00 0.00 C ATOM 271 OD1 ASP A 19 10.926 -2.304 -2.616 1.00 0.00 O ATOM 272 OD2 ASP A 19 11.978 -2.276 -0.687 1.00 0.00 O ATOM 0 H ASP A 19 9.247 -2.431 -1.461 1.00 0.00 H new ATOM 0 HA ASP A 19 8.968 -5.256 -1.266 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.566 -4.747 -0.597 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.965 -4.855 -2.239 1.00 0.00 H new ATOM 277 N LYS A 20 9.629 -3.550 1.461 1.00 0.00 N ATOM 278 CA LYS A 20 9.623 -3.604 2.913 1.00 0.00 C ATOM 279 C LYS A 20 8.198 -3.805 3.373 1.00 0.00 C ATOM 280 O LYS A 20 7.888 -4.729 4.130 1.00 0.00 O ATOM 281 CB LYS A 20 10.199 -2.316 3.503 1.00 0.00 C ATOM 282 CG LYS A 20 10.776 -1.373 2.459 1.00 0.00 C ATOM 283 CD LYS A 20 12.006 -1.966 1.792 1.00 0.00 C ATOM 284 CE LYS A 20 13.122 -2.208 2.797 1.00 0.00 C ATOM 285 NZ LYS A 20 14.270 -1.285 2.584 1.00 0.00 N ATOM 0 H LYS A 20 9.768 -2.616 1.074 1.00 0.00 H new ATOM 0 HA LYS A 20 10.246 -4.430 3.255 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.416 -1.797 4.056 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.979 -2.572 4.220 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.020 -1.158 1.704 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.037 -0.425 2.928 1.00 0.00 H new ATOM 0 HD2 LYS A 20 11.741 -2.906 1.307 1.00 0.00 H new ATOM 0 HD3 LYS A 20 12.358 -1.292 1.011 1.00 0.00 H new ATOM 0 HE2 LYS A 20 12.735 -2.079 3.808 1.00 0.00 H new ATOM 0 HE3 LYS A 20 13.466 -3.239 2.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 15.009 -1.482 3.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 14.656 -1.426 1.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 13.948 -0.301 2.686 1.00 0.00 H new ATOM 299 N ALA A 21 7.327 -2.954 2.856 1.00 0.00 N ATOM 300 CA ALA A 21 5.914 -3.041 3.147 1.00 0.00 C ATOM 301 C ALA A 21 5.426 -4.420 2.735 1.00 0.00 C ATOM 302 O ALA A 21 4.740 -5.108 3.490 1.00 0.00 O ATOM 303 CB ALA A 21 5.158 -1.945 2.417 1.00 0.00 C ATOM 0 H ALA A 21 7.581 -2.191 2.228 1.00 0.00 H new ATOM 0 HA ALA A 21 5.737 -2.901 4.213 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.095 -2.022 2.645 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.528 -0.971 2.738 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.307 -2.053 1.343 1.00 0.00 H new ATOM 309 N GLU A 22 5.835 -4.833 1.538 1.00 0.00 N ATOM 310 CA GLU A 22 5.492 -6.148 1.028 1.00 0.00 C ATOM 311 C GLU A 22 6.106 -7.203 1.931 1.00 0.00 C ATOM 312 O GLU A 22 5.424 -8.132 2.378 1.00 0.00 O ATOM 313 CB GLU A 22 5.990 -6.322 -0.409 1.00 0.00 C ATOM 314 CG GLU A 22 5.628 -7.666 -1.019 1.00 0.00 C ATOM 315 CD GLU A 22 6.511 -8.029 -2.198 1.00 0.00 C ATOM 316 OE1 GLU A 22 6.232 -7.550 -3.317 1.00 0.00 O ATOM 317 OE2 GLU A 22 7.480 -8.791 -2.001 1.00 0.00 O ATOM 0 H GLU A 22 6.405 -4.271 0.906 1.00 0.00 H new ATOM 0 HA GLU A 22 4.408 -6.257 1.020 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.573 -5.527 -1.028 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.074 -6.205 -0.426 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.710 -8.441 -0.257 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.587 -7.646 -1.342 1.00 0.00 H new ATOM 324 N LYS A 23 7.394 -7.027 2.225 1.00 0.00 N ATOM 325 CA LYS A 23 8.104 -7.943 3.108 1.00 0.00 C ATOM 326 C LYS A 23 7.327 -8.072 4.403 1.00 0.00 C ATOM 327 O LYS A 23 7.009 -9.171 4.856 1.00 0.00 O ATOM 328 CB LYS A 23 9.518 -7.434 3.391 1.00 0.00 C ATOM 329 CG LYS A 23 9.939 -7.598 4.842 1.00 0.00 C ATOM 330 CD LYS A 23 11.370 -7.136 5.064 1.00 0.00 C ATOM 331 CE LYS A 23 11.602 -5.748 4.491 1.00 0.00 C ATOM 332 NZ LYS A 23 12.884 -5.161 4.960 1.00 0.00 N ATOM 0 H LYS A 23 7.963 -6.261 1.865 1.00 0.00 H new ATOM 0 HA LYS A 23 8.188 -8.917 2.626 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.223 -7.968 2.753 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.578 -6.380 3.120 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.268 -7.027 5.483 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.844 -8.644 5.133 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.591 -7.132 6.131 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.058 -7.842 4.599 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.604 -5.801 3.402 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.778 -5.095 4.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.949 -4.172 4.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.922 -5.196 5.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.679 -5.703 4.566 1.00 0.00 H new ATOM 346 N LEU A 24 6.984 -6.927 4.964 1.00 0.00 N ATOM 347 CA LEU A 24 6.190 -6.877 6.178 1.00 0.00 C ATOM 348 C LEU A 24 4.780 -7.365 5.873 1.00 0.00 C ATOM 349 O LEU A 24 4.142 -8.025 6.692 1.00 0.00 O ATOM 350 CB LEU A 24 6.150 -5.461 6.750 1.00 0.00 C ATOM 351 CG LEU A 24 5.967 -4.349 5.718 1.00 0.00 C ATOM 352 CD1 LEU A 24 4.538 -3.826 5.742 1.00 0.00 C ATOM 353 CD2 LEU A 24 6.960 -3.223 5.975 1.00 0.00 C ATOM 0 H LEU A 24 7.245 -6.013 4.595 1.00 0.00 H new ATOM 0 HA LEU A 24 6.648 -7.524 6.927 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.337 -5.401 7.474 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.076 -5.280 7.296 1.00 0.00 H new ATOM 0 HG LEU A 24 6.160 -4.759 4.726 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.428 -3.035 5.000 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.849 -4.639 5.511 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.312 -3.429 6.732 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.819 -2.437 5.233 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.796 -2.814 6.972 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.976 -3.611 5.904 1.00 0.00 H new ATOM 365 N LEU A 25 4.300 -7.012 4.680 1.00 0.00 N ATOM 366 CA LEU A 25 2.961 -7.386 4.246 1.00 0.00 C ATOM 367 C LEU A 25 2.787 -8.897 4.217 1.00 0.00 C ATOM 368 O LEU A 25 1.834 -9.429 4.786 1.00 0.00 O ATOM 369 CB LEU A 25 2.686 -6.839 2.844 1.00 0.00 C ATOM 370 CG LEU A 25 2.047 -5.452 2.772 1.00 0.00 C ATOM 371 CD1 LEU A 25 0.531 -5.559 2.813 1.00 0.00 C ATOM 372 CD2 LEU A 25 2.560 -4.562 3.892 1.00 0.00 C ATOM 0 H LEU A 25 4.824 -6.465 3.997 1.00 0.00 H new ATOM 0 HA LEU A 25 2.258 -6.960 4.962 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.628 -6.811 2.297 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.036 -7.543 2.323 1.00 0.00 H new ATOM 0 HG LEU A 25 2.329 -4.994 1.824 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.094 -4.562 2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.185 -6.151 1.966 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.225 -6.041 3.742 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.091 -3.580 3.820 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.316 -5.011 4.855 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.641 -4.455 3.805 1.00 0.00 H new ATOM 384 N LEU A 26 3.703 -9.585 3.552 1.00 0.00 N ATOM 385 CA LEU A 26 3.619 -11.040 3.461 1.00 0.00 C ATOM 386 C LEU A 26 3.918 -11.682 4.807 1.00 0.00 C ATOM 387 O LEU A 26 3.382 -12.742 5.133 1.00 0.00 O ATOM 388 CB LEU A 26 4.525 -11.610 2.356 1.00 0.00 C ATOM 389 CG LEU A 26 6.039 -11.529 2.581 1.00 0.00 C ATOM 390 CD1 LEU A 26 6.557 -10.156 2.204 1.00 0.00 C ATOM 391 CD2 LEU A 26 6.410 -11.870 4.015 1.00 0.00 C ATOM 0 H LEU A 26 4.502 -9.170 3.073 1.00 0.00 H new ATOM 0 HA LEU A 26 2.595 -11.288 3.183 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.261 -12.657 2.209 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.293 -11.089 1.427 1.00 0.00 H new ATOM 0 HG LEU A 26 6.512 -12.270 1.936 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.634 -10.115 2.370 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.344 -9.963 1.153 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.067 -9.401 2.818 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.491 -11.802 4.137 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.923 -11.169 4.693 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.082 -12.884 4.244 1.00 0.00 H new ATOM 403 N ASP A 27 4.764 -11.030 5.589 1.00 0.00 N ATOM 404 CA ASP A 27 5.120 -11.535 6.908 1.00 0.00 C ATOM 405 C ASP A 27 3.861 -11.830 7.709 1.00 0.00 C ATOM 406 O ASP A 27 3.813 -12.777 8.495 1.00 0.00 O ATOM 407 CB ASP A 27 5.995 -10.525 7.652 1.00 0.00 C ATOM 408 CG ASP A 27 6.574 -11.097 8.932 1.00 0.00 C ATOM 409 OD1 ASP A 27 5.935 -11.991 9.526 1.00 0.00 O ATOM 410 OD2 ASP A 27 7.668 -10.651 9.340 1.00 0.00 O ATOM 0 H ASP A 27 5.217 -10.152 5.335 1.00 0.00 H new ATOM 0 HA ASP A 27 5.687 -12.458 6.786 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.807 -10.202 7.001 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.404 -9.640 7.887 1.00 0.00 H new ATOM 415 N THR A 28 2.842 -11.010 7.495 1.00 0.00 N ATOM 416 CA THR A 28 1.571 -11.167 8.182 1.00 0.00 C ATOM 417 C THR A 28 0.832 -12.395 7.674 1.00 0.00 C ATOM 418 O THR A 28 0.349 -13.213 8.458 1.00 0.00 O ATOM 419 CB THR A 28 0.706 -9.919 7.996 1.00 0.00 C ATOM 420 OG1 THR A 28 1.011 -8.948 8.982 1.00 0.00 O ATOM 421 CG2 THR A 28 -0.778 -10.202 8.076 1.00 0.00 C ATOM 0 H THR A 28 2.873 -10.224 6.846 1.00 0.00 H new ATOM 0 HA THR A 28 1.773 -11.300 9.245 1.00 0.00 H new ATOM 0 HB THR A 28 0.936 -9.554 6.995 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.183 -8.648 9.412 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.333 -9.275 7.936 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.055 -10.912 7.297 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.016 -10.623 9.053 1.00 0.00 H new ATOM 429 N GLY A 29 0.752 -12.521 6.356 1.00 0.00 N ATOM 430 CA GLY A 29 0.073 -13.658 5.762 1.00 0.00 C ATOM 431 C GLY A 29 -1.435 -13.562 5.865 1.00 0.00 C ATOM 432 O GLY A 29 -2.138 -14.565 5.743 1.00 0.00 O ATOM 0 H GLY A 29 1.144 -11.858 5.688 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.356 -13.737 4.712 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.408 -14.572 6.252 1.00 0.00 H new ATOM 436 N LYS A 30 -1.936 -12.351 6.088 1.00 0.00 N ATOM 437 CA LYS A 30 -3.374 -12.132 6.203 1.00 0.00 C ATOM 438 C LYS A 30 -3.950 -11.613 4.898 1.00 0.00 C ATOM 439 O LYS A 30 -3.538 -10.565 4.406 1.00 0.00 O ATOM 440 CB LYS A 30 -3.683 -11.124 7.309 1.00 0.00 C ATOM 441 CG LYS A 30 -4.782 -11.578 8.252 1.00 0.00 C ATOM 442 CD LYS A 30 -4.535 -11.094 9.672 1.00 0.00 C ATOM 443 CE LYS A 30 -5.839 -10.768 10.382 1.00 0.00 C ATOM 444 NZ LYS A 30 -6.729 -9.916 9.547 1.00 0.00 N ATOM 0 H LYS A 30 -1.370 -11.509 6.192 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.829 -13.092 6.445 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -2.776 -10.938 7.884 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.973 -10.176 6.855 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.743 -11.202 7.900 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.843 -12.666 8.243 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.997 -11.860 10.230 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.899 -10.209 9.651 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -6.356 -11.694 10.635 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.623 -10.257 11.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.498 -9.536 10.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.180 -9.130 9.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.133 -10.486 8.776 1.00 0.00 H new ATOM 458 N GLU A 31 -4.919 -12.333 4.348 1.00 0.00 N ATOM 459 CA GLU A 31 -5.545 -11.898 3.114 1.00 0.00 C ATOM 460 C GLU A 31 -6.060 -10.481 3.297 1.00 0.00 C ATOM 461 O GLU A 31 -6.835 -10.211 4.215 1.00 0.00 O ATOM 462 CB GLU A 31 -6.699 -12.833 2.742 1.00 0.00 C ATOM 463 CG GLU A 31 -7.315 -12.526 1.386 1.00 0.00 C ATOM 464 CD GLU A 31 -8.656 -11.829 1.498 1.00 0.00 C ATOM 465 OE1 GLU A 31 -9.009 -11.399 2.616 1.00 0.00 O ATOM 466 OE2 GLU A 31 -9.353 -11.714 0.468 1.00 0.00 O ATOM 0 H GLU A 31 -5.281 -13.206 4.731 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.813 -11.923 2.307 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.338 -13.861 2.744 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.472 -12.765 3.507 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.631 -11.899 0.814 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.438 -13.455 0.829 1.00 0.00 H new ATOM 473 N GLY A 32 -5.627 -9.569 2.437 1.00 0.00 N ATOM 474 CA GLY A 32 -6.065 -8.205 2.558 1.00 0.00 C ATOM 475 C GLY A 32 -5.135 -7.363 3.405 1.00 0.00 C ATOM 476 O GLY A 32 -5.497 -6.256 3.804 1.00 0.00 O ATOM 0 H GLY A 32 -4.985 -9.753 1.666 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.143 -7.764 1.564 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.064 -8.186 2.995 1.00 0.00 H new ATOM 480 N ALA A 33 -3.932 -7.866 3.686 1.00 0.00 N ATOM 481 CA ALA A 33 -2.993 -7.093 4.495 1.00 0.00 C ATOM 482 C ALA A 33 -2.413 -5.963 3.652 1.00 0.00 C ATOM 483 O ALA A 33 -1.758 -6.218 2.647 1.00 0.00 O ATOM 484 CB ALA A 33 -1.881 -7.997 5.015 1.00 0.00 C ATOM 0 H ALA A 33 -3.593 -8.777 3.376 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.515 -6.667 5.352 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.187 -7.410 5.617 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.312 -8.789 5.627 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.348 -8.439 4.173 1.00 0.00 H new ATOM 490 N PHE A 34 -2.669 -4.715 4.038 1.00 0.00 N ATOM 491 CA PHE A 34 -2.172 -3.594 3.257 1.00 0.00 C ATOM 492 C PHE A 34 -1.348 -2.585 4.032 1.00 0.00 C ATOM 493 O PHE A 34 -1.361 -2.532 5.263 1.00 0.00 O ATOM 494 CB PHE A 34 -3.324 -2.890 2.553 1.00 0.00 C ATOM 495 CG PHE A 34 -4.481 -2.565 3.446 1.00 0.00 C ATOM 496 CD1 PHE A 34 -4.319 -1.777 4.573 1.00 0.00 C ATOM 497 CD2 PHE A 34 -5.740 -3.041 3.144 1.00 0.00 C ATOM 498 CE1 PHE A 34 -5.392 -1.471 5.379 1.00 0.00 C ATOM 499 CE2 PHE A 34 -6.817 -2.741 3.946 1.00 0.00 C ATOM 500 CZ PHE A 34 -6.646 -1.954 5.066 1.00 0.00 C ATOM 0 H PHE A 34 -3.205 -4.461 4.868 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.487 -4.035 2.533 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.953 -1.967 2.107 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.676 -3.520 1.736 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.339 -1.398 4.823 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -5.882 -3.656 2.268 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.253 -0.854 6.255 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -7.797 -3.122 3.699 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.491 -1.717 5.696 1.00 0.00 H new ATOM 510 N MET A 35 -0.661 -1.761 3.252 1.00 0.00 N ATOM 511 CA MET A 35 0.169 -0.682 3.765 1.00 0.00 C ATOM 512 C MET A 35 0.391 0.356 2.659 1.00 0.00 C ATOM 513 O MET A 35 0.677 -0.008 1.519 1.00 0.00 O ATOM 514 CB MET A 35 1.509 -1.220 4.272 1.00 0.00 C ATOM 515 CG MET A 35 2.484 -1.576 3.163 1.00 0.00 C ATOM 516 SD MET A 35 3.083 -0.128 2.269 1.00 0.00 S ATOM 517 CE MET A 35 3.094 1.099 3.573 1.00 0.00 C ATOM 0 H MET A 35 -0.665 -1.825 2.234 1.00 0.00 H new ATOM 0 HA MET A 35 -0.340 -0.211 4.606 1.00 0.00 H new ATOM 0 HB2 MET A 35 1.968 -0.474 4.921 1.00 0.00 H new ATOM 0 HB3 MET A 35 1.328 -2.105 4.882 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.333 -2.111 3.589 1.00 0.00 H new ATOM 0 HG3 MET A 35 1.998 -2.255 2.462 1.00 0.00 H new ATOM 0 HE1 MET A 35 3.710 1.946 3.271 1.00 0.00 H new ATOM 0 HE2 MET A 35 2.076 1.440 3.760 1.00 0.00 H new ATOM 0 HE3 MET A 35 3.503 0.659 4.483 1.00 0.00 H new ATOM 527 N VAL A 36 0.256 1.642 2.983 1.00 0.00 N ATOM 528 CA VAL A 36 0.446 2.692 1.985 1.00 0.00 C ATOM 529 C VAL A 36 1.681 3.511 2.286 1.00 0.00 C ATOM 530 O VAL A 36 1.878 3.975 3.409 1.00 0.00 O ATOM 531 CB VAL A 36 -0.752 3.652 1.902 1.00 0.00 C ATOM 532 CG1 VAL A 36 -1.179 3.866 0.460 1.00 0.00 C ATOM 533 CG2 VAL A 36 -1.904 3.149 2.746 1.00 0.00 C ATOM 0 H VAL A 36 0.019 1.978 3.916 1.00 0.00 H new ATOM 0 HA VAL A 36 0.553 2.176 1.031 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.441 4.617 2.302 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.028 4.549 0.429 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.350 4.292 -0.105 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.466 2.911 0.020 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.740 3.844 2.672 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.215 2.167 2.389 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.587 3.073 3.786 1.00 0.00 H new ATOM 543 N ARG A 37 2.506 3.697 1.273 1.00 0.00 N ATOM 544 CA ARG A 37 3.710 4.469 1.422 1.00 0.00 C ATOM 545 C ARG A 37 3.755 5.604 0.408 1.00 0.00 C ATOM 546 O ARG A 37 3.331 5.442 -0.742 1.00 0.00 O ATOM 547 CB ARG A 37 4.941 3.574 1.267 1.00 0.00 C ATOM 548 CG ARG A 37 6.112 4.266 0.590 1.00 0.00 C ATOM 549 CD ARG A 37 6.758 5.282 1.515 1.00 0.00 C ATOM 550 NE ARG A 37 7.680 6.163 0.804 1.00 0.00 N ATOM 551 CZ ARG A 37 8.032 7.369 1.240 1.00 0.00 C ATOM 552 NH1 ARG A 37 7.535 7.834 2.378 1.00 0.00 N ATOM 553 NH2 ARG A 37 8.879 8.110 0.539 1.00 0.00 N ATOM 0 H ARG A 37 2.357 3.319 0.337 1.00 0.00 H new ATOM 0 HA ARG A 37 3.714 4.902 2.423 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.254 3.227 2.252 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.668 2.691 0.690 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.851 3.524 0.288 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.769 4.763 -0.318 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.983 5.880 1.994 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.294 4.761 2.308 1.00 0.00 H new ATOM 0 HE ARG A 37 8.076 5.835 -0.077 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.883 7.267 2.919 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.805 8.759 2.712 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.262 7.755 -0.337 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.147 9.035 0.876 1.00 0.00 H new ATOM 567 N ASP A 38 4.282 6.747 0.828 1.00 0.00 N ATOM 568 CA ASP A 38 4.398 7.896 -0.059 1.00 0.00 C ATOM 569 C ASP A 38 5.514 7.657 -1.071 1.00 0.00 C ATOM 570 O ASP A 38 6.695 7.665 -0.721 1.00 0.00 O ATOM 571 CB ASP A 38 4.679 9.167 0.744 1.00 0.00 C ATOM 572 CG ASP A 38 5.486 10.181 -0.042 1.00 0.00 C ATOM 573 OD1 ASP A 38 5.361 10.205 -1.284 1.00 0.00 O ATOM 574 OD2 ASP A 38 6.245 10.951 0.585 1.00 0.00 O ATOM 0 H ASP A 38 4.634 6.902 1.773 1.00 0.00 H new ATOM 0 HA ASP A 38 3.455 8.025 -0.590 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.734 9.617 1.049 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.217 8.906 1.655 1.00 0.00 H new ATOM 663 N TYR A 45 0.438 8.503 -2.676 1.00 0.00 N ATOM 664 CA TYR A 45 0.968 7.403 -1.874 1.00 0.00 C ATOM 665 C TYR A 45 0.554 6.058 -2.453 1.00 0.00 C ATOM 666 O TYR A 45 -0.554 5.908 -2.963 1.00 0.00 O ATOM 667 CB TYR A 45 0.475 7.511 -0.432 1.00 0.00 C ATOM 668 CG TYR A 45 0.708 8.866 0.190 1.00 0.00 C ATOM 669 CD1 TYR A 45 0.030 9.987 -0.267 1.00 0.00 C ATOM 670 CD2 TYR A 45 1.607 9.021 1.235 1.00 0.00 C ATOM 671 CE1 TYR A 45 0.240 11.229 0.302 1.00 0.00 C ATOM 672 CE2 TYR A 45 1.824 10.260 1.811 1.00 0.00 C ATOM 673 CZ TYR A 45 1.139 11.360 1.340 1.00 0.00 C ATOM 674 OH TYR A 45 1.352 12.594 1.910 1.00 0.00 O ATOM 0 HA TYR A 45 2.056 7.471 -1.890 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.591 7.287 -0.404 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.975 6.753 0.171 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -0.673 9.887 -1.081 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.146 8.161 1.605 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -0.297 12.092 -0.064 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.526 10.365 2.625 1.00 0.00 H new ATOM 0 HH TYR A 45 2.014 12.513 2.628 1.00 0.00 H new ATOM 684 N THR A 46 1.449 5.079 -2.368 1.00 0.00 N ATOM 685 CA THR A 46 1.159 3.748 -2.885 1.00 0.00 C ATOM 686 C THR A 46 0.732 2.810 -1.758 1.00 0.00 C ATOM 687 O THR A 46 1.309 2.833 -0.670 1.00 0.00 O ATOM 688 CB THR A 46 2.382 3.175 -3.602 1.00 0.00 C ATOM 689 OG1 THR A 46 2.137 3.050 -4.991 1.00 0.00 O ATOM 690 CG2 THR A 46 2.790 1.814 -3.084 1.00 0.00 C ATOM 0 H THR A 46 2.374 5.181 -1.949 1.00 0.00 H new ATOM 0 HA THR A 46 0.338 3.834 -3.597 1.00 0.00 H new ATOM 0 HB THR A 46 3.190 3.880 -3.407 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.932 2.683 -5.432 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.663 1.462 -3.633 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.033 1.886 -2.024 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.968 1.111 -3.221 1.00 0.00 H new ATOM 698 N VAL A 47 -0.281 1.986 -2.025 1.00 0.00 N ATOM 699 CA VAL A 47 -0.777 1.050 -1.029 1.00 0.00 C ATOM 700 C VAL A 47 -0.418 -0.387 -1.374 1.00 0.00 C ATOM 701 O VAL A 47 -0.674 -0.860 -2.480 1.00 0.00 O ATOM 702 CB VAL A 47 -2.305 1.144 -0.852 1.00 0.00 C ATOM 703 CG1 VAL A 47 -2.958 -0.217 -1.050 1.00 0.00 C ATOM 704 CG2 VAL A 47 -2.638 1.695 0.522 1.00 0.00 C ATOM 0 H VAL A 47 -0.769 1.951 -2.920 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.291 1.332 -0.095 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.698 1.822 -1.609 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.036 -0.126 -0.920 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.743 -0.581 -2.055 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.563 -0.920 -0.317 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.720 1.757 0.637 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.229 1.035 1.287 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.204 2.689 0.630 1.00 0.00 H new ATOM 714 N SER A 48 0.156 -1.080 -0.403 1.00 0.00 N ATOM 715 CA SER A 48 0.530 -2.470 -0.576 1.00 0.00 C ATOM 716 C SER A 48 -0.405 -3.353 0.238 1.00 0.00 C ATOM 717 O SER A 48 -0.434 -3.262 1.468 1.00 0.00 O ATOM 718 CB SER A 48 1.987 -2.697 -0.148 1.00 0.00 C ATOM 719 OG SER A 48 2.511 -3.876 -0.730 1.00 0.00 O ATOM 0 H SER A 48 0.373 -0.697 0.517 1.00 0.00 H new ATOM 0 HA SER A 48 0.443 -2.731 -1.631 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.594 -1.841 -0.444 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.043 -2.768 0.938 1.00 0.00 H new ATOM 0 HG SER A 48 1.839 -4.276 -1.321 1.00 0.00 H new ATOM 725 N VAL A 49 -1.174 -4.197 -0.454 1.00 0.00 N ATOM 726 CA VAL A 49 -2.111 -5.095 0.204 1.00 0.00 C ATOM 727 C VAL A 49 -1.736 -6.548 -0.056 1.00 0.00 C ATOM 728 O VAL A 49 -1.119 -6.870 -1.074 1.00 0.00 O ATOM 729 CB VAL A 49 -3.565 -4.830 -0.220 1.00 0.00 C ATOM 730 CG1 VAL A 49 -3.885 -3.339 -0.119 1.00 0.00 C ATOM 731 CG2 VAL A 49 -3.820 -5.364 -1.620 1.00 0.00 C ATOM 0 H VAL A 49 -1.162 -4.273 -1.471 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.045 -4.899 1.274 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.232 -5.360 0.460 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.918 -3.167 -0.422 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.749 -3.007 0.910 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.217 -2.778 -0.773 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.854 -5.167 -1.902 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.151 -4.870 -2.325 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.637 -6.438 -1.638 1.00 0.00 H new ATOM 741 N PHE A 50 -2.075 -7.416 0.888 1.00 0.00 N ATOM 742 CA PHE A 50 -1.734 -8.826 0.785 1.00 0.00 C ATOM 743 C PHE A 50 -2.955 -9.720 0.943 1.00 0.00 C ATOM 744 O PHE A 50 -3.647 -9.662 1.962 1.00 0.00 O ATOM 745 CB PHE A 50 -0.700 -9.171 1.855 1.00 0.00 C ATOM 746 CG PHE A 50 -0.294 -10.613 1.869 1.00 0.00 C ATOM 747 CD1 PHE A 50 -0.591 -11.448 0.804 1.00 0.00 C ATOM 748 CD2 PHE A 50 0.390 -11.132 2.953 1.00 0.00 C ATOM 749 CE1 PHE A 50 -0.211 -12.776 0.824 1.00 0.00 C ATOM 750 CE2 PHE A 50 0.770 -12.457 2.979 1.00 0.00 C ATOM 751 CZ PHE A 50 0.471 -13.283 1.912 1.00 0.00 C ATOM 0 H PHE A 50 -2.587 -7.167 1.734 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.325 -9.003 -0.210 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.187 -8.556 1.700 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.103 -8.908 2.833 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.125 -11.057 -0.050 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.629 -10.492 3.789 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.448 -13.418 -0.012 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.301 -12.850 3.833 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.770 -14.321 1.929 1.00 0.00 H new ATOM 761 N THR A 51 -3.192 -10.551 -0.072 1.00 0.00 N ATOM 762 CA THR A 51 -4.311 -11.482 -0.076 1.00 0.00 C ATOM 763 C THR A 51 -3.821 -12.921 0.050 1.00 0.00 C ATOM 764 O THR A 51 -2.813 -13.300 -0.547 1.00 0.00 O ATOM 765 CB THR A 51 -5.130 -11.322 -1.357 1.00 0.00 C ATOM 766 OG1 THR A 51 -6.517 -11.306 -1.068 1.00 0.00 O ATOM 767 CG2 THR A 51 -4.884 -12.421 -2.367 1.00 0.00 C ATOM 0 H THR A 51 -2.613 -10.595 -0.911 1.00 0.00 H new ATOM 0 HA THR A 51 -4.943 -11.255 0.782 1.00 0.00 H new ATOM 0 HB THR A 51 -4.806 -10.375 -1.789 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.748 -10.467 -0.617 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.496 -12.246 -3.252 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.831 -12.426 -2.650 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.147 -13.384 -1.928 1.00 0.00 H new ATOM 775 N LYS A 52 -4.544 -13.719 0.830 1.00 0.00 N ATOM 776 CA LYS A 52 -4.187 -15.117 1.037 1.00 0.00 C ATOM 777 C LYS A 52 -4.482 -15.943 -0.210 1.00 0.00 C ATOM 778 O LYS A 52 -5.404 -15.638 -0.967 1.00 0.00 O ATOM 779 CB LYS A 52 -4.954 -15.693 2.229 1.00 0.00 C ATOM 780 CG LYS A 52 -4.432 -15.221 3.576 1.00 0.00 C ATOM 781 CD LYS A 52 -5.331 -15.676 4.714 1.00 0.00 C ATOM 782 CE LYS A 52 -4.526 -16.017 5.957 1.00 0.00 C ATOM 783 NZ LYS A 52 -4.772 -15.048 7.060 1.00 0.00 N ATOM 0 H LYS A 52 -5.382 -13.420 1.329 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.118 -15.163 1.243 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.005 -15.419 2.140 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.904 -16.781 2.191 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.424 -15.606 3.732 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.362 -14.133 3.579 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.049 -14.890 4.948 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.904 -16.548 4.400 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.784 -17.022 6.292 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.464 -16.025 5.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.863 -14.712 7.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.316 -14.240 6.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.309 -15.515 7.819 1.00 0.00 H new ATOM 797 N ALA A 53 -3.693 -16.991 -0.417 1.00 0.00 N ATOM 798 CA ALA A 53 -3.865 -17.861 -1.567 1.00 0.00 C ATOM 799 C ALA A 53 -4.501 -19.187 -1.164 1.00 0.00 C ATOM 800 O ALA A 53 -4.350 -19.641 -0.030 1.00 0.00 O ATOM 801 CB ALA A 53 -2.528 -18.096 -2.252 1.00 0.00 C ATOM 0 H ALA A 53 -2.926 -17.257 0.201 1.00 0.00 H new ATOM 0 HA ALA A 53 -4.538 -17.368 -2.269 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.670 -18.750 -3.113 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.117 -17.143 -2.584 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.837 -18.564 -1.551 1.00 0.00 H new ATOM 885 N PRO A 59 0.190 -17.621 -1.231 1.00 0.00 N ATOM 886 CA PRO A 59 -0.422 -16.331 -0.911 1.00 0.00 C ATOM 887 C PRO A 59 -0.207 -15.298 -2.012 1.00 0.00 C ATOM 888 O PRO A 59 0.846 -15.262 -2.648 1.00 0.00 O ATOM 889 CB PRO A 59 0.306 -15.917 0.365 1.00 0.00 C ATOM 890 CG PRO A 59 0.647 -17.207 1.034 1.00 0.00 C ATOM 891 CD PRO A 59 0.878 -18.210 -0.067 1.00 0.00 C ATOM 0 HA PRO A 59 -1.504 -16.401 -0.802 1.00 0.00 H new ATOM 0 HB2 PRO A 59 1.201 -15.337 0.141 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -0.326 -15.296 0.999 1.00 0.00 H new ATOM 0 HG2 PRO A 59 1.537 -17.099 1.654 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.161 -17.530 1.690 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.941 -18.353 -0.261 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.467 -19.186 0.189 1.00 0.00 H new ATOM 899 N CYS A 60 -1.214 -14.457 -2.232 1.00 0.00 N ATOM 900 CA CYS A 60 -1.134 -13.424 -3.258 1.00 0.00 C ATOM 901 C CYS A 60 -1.189 -12.034 -2.633 1.00 0.00 C ATOM 902 O CYS A 60 -2.201 -11.638 -2.054 1.00 0.00 O ATOM 903 CB CYS A 60 -2.271 -13.590 -4.267 1.00 0.00 C ATOM 904 SG CYS A 60 -1.835 -14.588 -5.710 1.00 0.00 S ATOM 0 H CYS A 60 -2.093 -14.471 -1.714 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.181 -13.532 -3.776 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -3.124 -14.048 -3.766 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.591 -12.604 -4.604 1.00 0.00 H new ATOM 0 HG CYS A 60 -2.860 -14.673 -6.504 1.00 0.00 H new ATOM 910 N ILE A 61 -0.092 -11.298 -2.762 1.00 0.00 N ATOM 911 CA ILE A 61 0.004 -9.950 -2.218 1.00 0.00 C ATOM 912 C ILE A 61 0.039 -8.918 -3.345 1.00 0.00 C ATOM 913 O ILE A 61 0.709 -9.127 -4.357 1.00 0.00 O ATOM 914 CB ILE A 61 1.257 -9.809 -1.339 1.00 0.00 C ATOM 915 CG1 ILE A 61 1.495 -8.349 -0.965 1.00 0.00 C ATOM 916 CG2 ILE A 61 2.468 -10.390 -2.052 1.00 0.00 C ATOM 917 CD1 ILE A 61 1.870 -8.160 0.487 1.00 0.00 C ATOM 0 H ILE A 61 0.750 -11.616 -3.243 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.877 -9.769 -1.603 1.00 0.00 H new ATOM 0 HB ILE A 61 1.098 -10.369 -0.417 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.288 -7.944 -1.594 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.594 -7.774 -1.179 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.349 -10.284 -1.419 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.296 -11.446 -2.260 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.629 -9.857 -2.989 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.025 -7.100 0.688 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.068 -8.536 1.122 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.788 -8.708 0.700 1.00 0.00 H new ATOM 929 N LYS A 62 -0.693 -7.815 -3.185 1.00 0.00 N ATOM 930 CA LYS A 62 -0.733 -6.785 -4.224 1.00 0.00 C ATOM 931 C LYS A 62 -0.807 -5.373 -3.647 1.00 0.00 C ATOM 932 O LYS A 62 -1.407 -5.143 -2.595 1.00 0.00 O ATOM 933 CB LYS A 62 -1.921 -7.030 -5.155 1.00 0.00 C ATOM 934 CG LYS A 62 -2.454 -5.767 -5.811 1.00 0.00 C ATOM 935 CD LYS A 62 -3.955 -5.846 -6.027 1.00 0.00 C ATOM 936 CE LYS A 62 -4.389 -5.027 -7.230 1.00 0.00 C ATOM 937 NZ LYS A 62 -5.022 -3.740 -6.827 1.00 0.00 N ATOM 0 H LYS A 62 -1.258 -7.613 -2.360 1.00 0.00 H new ATOM 0 HA LYS A 62 0.200 -6.856 -4.784 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.623 -7.734 -5.932 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.724 -7.501 -4.588 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.220 -4.904 -5.187 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.955 -5.614 -6.768 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.249 -6.886 -6.169 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.471 -5.487 -5.136 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.524 -4.824 -7.862 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.092 -5.606 -7.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.985 -3.689 -7.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.066 -3.684 -5.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.458 -2.946 -7.193 1.00 0.00 H new ATOM 951 N HIS A 63 -0.200 -4.429 -4.363 1.00 0.00 N ATOM 952 CA HIS A 63 -0.195 -3.025 -3.960 1.00 0.00 C ATOM 953 C HIS A 63 -0.859 -2.153 -5.027 1.00 0.00 C ATOM 954 O HIS A 63 -0.883 -2.512 -6.204 1.00 0.00 O ATOM 955 CB HIS A 63 1.240 -2.548 -3.721 1.00 0.00 C ATOM 956 CG HIS A 63 2.218 -3.665 -3.538 1.00 0.00 C ATOM 957 ND1 HIS A 63 2.089 -4.841 -2.872 1.00 0.00 N flip ATOM 958 CD2 HIS A 63 3.493 -3.664 -4.061 1.00 0.00 C flip ATOM 959 CE1 HIS A 63 3.275 -5.562 -2.983 1.00 0.00 C flip ATOM 960 NE2 HIS A 63 4.083 -4.812 -3.706 1.00 0.00 N flip ATOM 0 H HIS A 63 0.299 -4.614 -5.233 1.00 0.00 H new ATOM 0 HA HIS A 63 -0.762 -2.935 -3.033 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.556 -1.934 -4.565 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.260 -1.910 -2.837 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.937 -2.877 -4.652 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.489 -6.534 -2.564 1.00 0.00 H new ATOM 0 HE2 HIS A 63 5.035 -5.073 -3.962 1.00 0.00 H new ATOM 968 N TYR A 64 -1.375 -0.997 -4.617 1.00 0.00 N ATOM 969 CA TYR A 64 -2.012 -0.068 -5.548 1.00 0.00 C ATOM 970 C TYR A 64 -1.585 1.364 -5.255 1.00 0.00 C ATOM 971 O TYR A 64 -1.602 1.807 -4.105 1.00 0.00 O ATOM 972 CB TYR A 64 -3.540 -0.167 -5.499 1.00 0.00 C ATOM 973 CG TYR A 64 -4.088 -1.127 -4.471 1.00 0.00 C ATOM 974 CD1 TYR A 64 -3.928 -2.498 -4.617 1.00 0.00 C ATOM 975 CD2 TYR A 64 -4.789 -0.661 -3.366 1.00 0.00 C ATOM 976 CE1 TYR A 64 -4.452 -3.378 -3.689 1.00 0.00 C ATOM 977 CE2 TYR A 64 -5.310 -1.532 -2.433 1.00 0.00 C ATOM 978 CZ TYR A 64 -5.141 -2.889 -2.600 1.00 0.00 C ATOM 979 OH TYR A 64 -5.668 -3.763 -1.676 1.00 0.00 O ATOM 0 H TYR A 64 -1.365 -0.681 -3.647 1.00 0.00 H new ATOM 0 HA TYR A 64 -1.685 -0.347 -6.550 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -3.946 0.825 -5.300 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -3.901 -0.468 -6.483 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -3.386 -2.883 -5.468 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.928 0.402 -3.236 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -4.322 -4.443 -3.816 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -5.847 -1.153 -1.576 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.645 -3.689 -1.676 1.00 0.00 H new ATOM 989 N HIS A 65 -1.207 2.088 -6.303 1.00 0.00 N ATOM 990 CA HIS A 65 -0.778 3.470 -6.163 1.00 0.00 C ATOM 991 C HIS A 65 -1.980 4.407 -6.116 1.00 0.00 C ATOM 992 O HIS A 65 -2.722 4.528 -7.091 1.00 0.00 O ATOM 993 CB HIS A 65 0.137 3.861 -7.323 1.00 0.00 C ATOM 994 CG HIS A 65 0.592 5.283 -7.262 1.00 0.00 C ATOM 995 ND1 HIS A 65 0.555 6.150 -8.329 1.00 0.00 N ATOM 996 CD2 HIS A 65 1.094 5.990 -6.221 1.00 0.00 C ATOM 997 CE1 HIS A 65 1.028 7.333 -7.914 1.00 0.00 C ATOM 998 NE2 HIS A 65 1.369 7.289 -6.640 1.00 0.00 N ATOM 0 H HIS A 65 -1.190 1.737 -7.261 1.00 0.00 H new ATOM 0 HA HIS A 65 -0.228 3.561 -5.227 1.00 0.00 H new ATOM 0 HB2 HIS A 65 1.009 3.207 -7.325 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -0.388 3.695 -8.263 1.00 0.00 H new ATOM 0 HD2 HIS A 65 1.255 5.607 -5.224 1.00 0.00 H new ATOM 0 HE1 HIS A 65 1.118 8.208 -8.540 1.00 0.00 H new ATOM 0 HE2 HIS A 65 1.754 8.049 -6.079 1.00 0.00 H new ATOM 1006 N ILE A 66 -2.165 5.073 -4.982 1.00 0.00 N ATOM 1007 CA ILE A 66 -3.275 6.003 -4.819 1.00 0.00 C ATOM 1008 C ILE A 66 -3.125 7.193 -5.762 1.00 0.00 C ATOM 1009 O ILE A 66 -2.088 7.855 -5.775 1.00 0.00 O ATOM 1010 CB ILE A 66 -3.381 6.514 -3.368 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -3.178 5.365 -2.376 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -4.729 7.182 -3.141 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -3.479 4.000 -2.955 1.00 0.00 C ATOM 0 H ILE A 66 -1.562 4.986 -4.164 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.187 5.458 -5.062 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.595 7.251 -3.203 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.147 5.380 -2.022 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.816 5.530 -1.507 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.790 7.538 -2.113 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.837 8.025 -3.824 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.527 6.462 -3.324 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.313 3.237 -2.194 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.518 3.965 -3.283 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.824 3.813 -3.806 1.00 0.00 H new ATOM 1025 N LYS A 67 -4.160 7.456 -6.551 1.00 0.00 N ATOM 1026 CA LYS A 67 -4.137 8.566 -7.498 1.00 0.00 C ATOM 1027 C LYS A 67 -4.768 9.811 -6.886 1.00 0.00 C ATOM 1028 O LYS A 67 -5.724 9.716 -6.119 1.00 0.00 O ATOM 1029 CB LYS A 67 -4.872 8.187 -8.783 1.00 0.00 C ATOM 1030 CG LYS A 67 -4.242 7.018 -9.520 1.00 0.00 C ATOM 1031 CD LYS A 67 -5.092 5.764 -9.403 1.00 0.00 C ATOM 1032 CE LYS A 67 -5.239 5.063 -10.743 1.00 0.00 C ATOM 1033 NZ LYS A 67 -5.036 5.998 -11.884 1.00 0.00 N ATOM 0 H LYS A 67 -5.026 6.916 -6.554 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.096 8.785 -7.737 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.906 7.939 -8.541 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.898 9.052 -9.446 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.114 7.276 -10.571 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.248 6.825 -9.116 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.640 5.083 -8.683 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.078 6.026 -9.018 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.517 4.249 -10.808 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.231 4.616 -10.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.403 5.566 -12.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.542 6.887 -11.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.021 6.194 -11.996 1.00 0.00 H new ATOM 1047 N GLU A 68 -4.225 10.974 -7.229 1.00 0.00 N ATOM 1048 CA GLU A 68 -4.730 12.240 -6.709 1.00 0.00 C ATOM 1049 C GLU A 68 -5.714 12.886 -7.681 1.00 0.00 C ATOM 1050 O GLU A 68 -5.605 12.713 -8.894 1.00 0.00 O ATOM 1051 CB GLU A 68 -3.564 13.194 -6.436 1.00 0.00 C ATOM 1052 CG GLU A 68 -3.246 13.361 -4.960 1.00 0.00 C ATOM 1053 CD GLU A 68 -2.201 14.430 -4.705 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -1.290 14.583 -5.547 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -2.293 15.116 -3.664 1.00 0.00 O ATOM 0 H GLU A 68 -3.434 11.066 -7.866 1.00 0.00 H new ATOM 0 HA GLU A 68 -5.259 12.036 -5.778 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.676 12.826 -6.951 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.797 14.170 -6.861 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.159 13.615 -4.422 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.894 12.411 -4.558 1.00 0.00 H new ATOM 1062 N THR A 69 -6.672 13.638 -7.140 1.00 0.00 N ATOM 1063 CA THR A 69 -7.671 14.312 -7.962 1.00 0.00 C ATOM 1064 C THR A 69 -8.083 15.645 -7.340 1.00 0.00 C ATOM 1065 O THR A 69 -7.600 16.015 -6.272 1.00 0.00 O ATOM 1066 CB THR A 69 -8.894 13.417 -8.159 1.00 0.00 C ATOM 1067 OG1 THR A 69 -9.666 13.357 -6.976 1.00 0.00 O ATOM 1068 CG2 THR A 69 -8.538 11.999 -8.545 1.00 0.00 C ATOM 0 H THR A 69 -6.776 13.794 -6.137 1.00 0.00 H new ATOM 0 HA THR A 69 -7.225 14.515 -8.936 1.00 0.00 H new ATOM 0 HB THR A 69 -9.457 13.870 -8.975 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.609 13.222 -7.207 1.00 0.00 H new ATOM 0 HG21 THR A 69 -9.450 11.416 -8.670 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.981 12.006 -9.482 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.926 11.552 -7.762 1.00 0.00 H new ATOM 1149 N ARG A 75 -10.134 13.068 -3.731 1.00 0.00 N ATOM 1150 CA ARG A 75 -8.759 13.550 -3.702 1.00 0.00 C ATOM 1151 C ARG A 75 -7.809 12.466 -4.211 1.00 0.00 C ATOM 1152 O ARG A 75 -7.209 12.608 -5.275 1.00 0.00 O ATOM 1153 CB ARG A 75 -8.386 13.979 -2.286 1.00 0.00 C ATOM 1154 CG ARG A 75 -8.073 15.461 -2.144 1.00 0.00 C ATOM 1155 CD ARG A 75 -7.860 16.124 -3.493 1.00 0.00 C ATOM 1156 NE ARG A 75 -6.854 15.428 -4.288 1.00 0.00 N ATOM 1157 CZ ARG A 75 -5.760 16.011 -4.769 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -5.513 17.289 -4.513 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -4.910 15.312 -5.504 1.00 0.00 N ATOM 0 HA ARG A 75 -8.670 14.416 -4.358 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -9.206 13.727 -1.614 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -7.519 13.404 -1.961 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -8.891 15.957 -1.620 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -7.180 15.587 -1.532 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -8.803 16.146 -4.039 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -7.553 17.159 -3.344 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.998 14.438 -4.486 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.164 17.830 -3.944 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.672 17.730 -4.885 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.095 14.328 -5.700 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.070 15.757 -5.874 1.00 0.00 H new ATOM 1173 N TYR A 76 -7.698 11.365 -3.463 1.00 0.00 N ATOM 1174 CA TYR A 76 -6.846 10.252 -3.874 1.00 0.00 C ATOM 1175 C TYR A 76 -7.694 9.071 -4.302 1.00 0.00 C ATOM 1176 O TYR A 76 -8.821 8.906 -3.841 1.00 0.00 O ATOM 1177 CB TYR A 76 -5.898 9.793 -2.768 1.00 0.00 C ATOM 1178 CG TYR A 76 -5.833 10.700 -1.578 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -5.991 12.065 -1.718 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -5.602 10.182 -0.316 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -5.923 12.900 -0.621 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -5.529 11.000 0.789 1.00 0.00 C ATOM 1183 CZ TYR A 76 -5.691 12.364 0.633 1.00 0.00 C ATOM 1184 OH TYR A 76 -5.621 13.193 1.731 1.00 0.00 O ATOM 0 H TYR A 76 -8.184 11.223 -2.577 1.00 0.00 H new ATOM 0 HA TYR A 76 -6.245 10.618 -4.706 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -6.205 8.801 -2.435 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.896 9.693 -3.186 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -6.170 12.484 -2.697 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -5.477 9.116 -0.195 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -6.050 13.966 -0.741 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -5.347 10.580 1.767 1.00 0.00 H new ATOM 0 HH TYR A 76 -6.484 13.639 1.860 1.00 0.00 H new ATOM 1194 N TYR A 77 -7.150 8.249 -5.182 1.00 0.00 N ATOM 1195 CA TYR A 77 -7.879 7.084 -5.657 1.00 0.00 C ATOM 1196 C TYR A 77 -6.968 6.000 -6.212 1.00 0.00 C ATOM 1197 O TYR A 77 -6.061 6.274 -6.997 1.00 0.00 O ATOM 1198 CB TYR A 77 -8.858 7.491 -6.754 1.00 0.00 C ATOM 1199 CG TYR A 77 -8.181 8.121 -7.951 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -7.601 9.380 -7.852 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -8.117 7.459 -9.175 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -6.977 9.963 -8.938 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -7.493 8.040 -10.264 1.00 0.00 C ATOM 1204 CZ TYR A 77 -6.925 9.290 -10.139 1.00 0.00 C ATOM 1205 OH TYR A 77 -6.304 9.870 -11.222 1.00 0.00 O ATOM 0 H TYR A 77 -6.217 8.363 -5.579 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.403 6.678 -4.792 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.415 6.612 -7.080 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -9.583 8.193 -6.343 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.639 9.911 -6.912 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.560 6.479 -9.275 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.532 10.943 -8.846 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.451 7.517 -11.208 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.354 9.264 -11.991 1.00 0.00 H new ATOM 1215 N VAL A 78 -7.280 4.761 -5.869 1.00 0.00 N ATOM 1216 CA VAL A 78 -6.557 3.621 -6.400 1.00 0.00 C ATOM 1217 C VAL A 78 -7.550 2.821 -7.221 1.00 0.00 C ATOM 1218 O VAL A 78 -7.757 1.625 -7.019 1.00 0.00 O ATOM 1219 CB VAL A 78 -5.949 2.740 -5.294 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -4.432 2.853 -5.302 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -6.518 3.126 -3.937 1.00 0.00 C ATOM 0 H VAL A 78 -8.032 4.520 -5.223 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.717 3.969 -7.002 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.212 1.700 -5.488 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.016 2.225 -4.514 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.048 2.526 -6.268 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.143 3.890 -5.129 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.079 2.494 -3.165 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.284 4.170 -3.728 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.600 2.991 -3.944 1.00 0.00 H new ATOM 1231 N ALA A 79 -8.177 3.548 -8.137 1.00 0.00 N ATOM 1232 CA ALA A 79 -9.195 3.020 -9.025 1.00 0.00 C ATOM 1233 C ALA A 79 -9.729 4.161 -9.883 1.00 0.00 C ATOM 1234 O ALA A 79 -9.533 5.326 -9.551 1.00 0.00 O ATOM 1235 CB ALA A 79 -10.309 2.362 -8.232 1.00 0.00 C ATOM 0 H ALA A 79 -7.986 4.539 -8.283 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.764 2.254 -9.670 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.062 1.973 -8.917 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.900 1.544 -7.640 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.766 3.096 -7.569 1.00 0.00 H new ATOM 1241 N GLU A 80 -10.380 3.844 -10.987 1.00 0.00 N ATOM 1242 CA GLU A 80 -10.892 4.879 -11.869 1.00 0.00 C ATOM 1243 C GLU A 80 -12.383 5.075 -11.719 1.00 0.00 C ATOM 1244 O GLU A 80 -13.177 4.713 -12.587 1.00 0.00 O ATOM 1245 CB GLU A 80 -10.527 4.579 -13.321 1.00 0.00 C ATOM 1246 CG GLU A 80 -9.726 5.685 -13.989 1.00 0.00 C ATOM 1247 CD GLU A 80 -8.230 5.450 -13.911 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -7.774 4.857 -12.911 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -7.515 5.857 -14.851 1.00 0.00 O ATOM 0 H GLU A 80 -10.566 2.889 -11.293 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.417 5.815 -11.575 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.953 3.653 -13.359 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.442 4.410 -13.889 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.024 5.763 -15.035 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.965 6.638 -13.517 1.00 0.00 H new ATOM 1256 N LYS A 81 -12.732 5.680 -10.606 1.00 0.00 N ATOM 1257 CA LYS A 81 -14.114 5.985 -10.288 1.00 0.00 C ATOM 1258 C LYS A 81 -14.285 6.169 -8.791 1.00 0.00 C ATOM 1259 O LYS A 81 -15.314 6.661 -8.329 1.00 0.00 O ATOM 1260 CB LYS A 81 -15.038 4.880 -10.805 1.00 0.00 C ATOM 1261 CG LYS A 81 -16.347 4.772 -10.045 1.00 0.00 C ATOM 1262 CD LYS A 81 -16.259 3.732 -8.944 1.00 0.00 C ATOM 1263 CE LYS A 81 -15.704 4.329 -7.663 1.00 0.00 C ATOM 1264 NZ LYS A 81 -15.918 3.430 -6.496 1.00 0.00 N ATOM 0 H LYS A 81 -12.066 5.976 -9.892 1.00 0.00 H new ATOM 0 HA LYS A 81 -14.386 6.918 -10.782 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -15.254 5.062 -11.858 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -14.515 3.925 -10.747 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -16.601 5.740 -9.614 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -17.150 4.509 -10.734 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -17.248 3.315 -8.755 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -15.623 2.908 -9.269 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -14.638 4.521 -7.783 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -16.181 5.290 -7.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -16.217 3.993 -5.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -16.655 2.733 -6.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -15.031 2.935 -6.272 1.00 0.00 H new ATOM 1278 N TYR A 82 -13.263 5.778 -8.031 1.00 0.00 N ATOM 1279 CA TYR A 82 -13.307 5.907 -6.587 1.00 0.00 C ATOM 1280 C TYR A 82 -12.123 6.717 -6.070 1.00 0.00 C ATOM 1281 O TYR A 82 -11.039 6.178 -5.845 1.00 0.00 O ATOM 1282 CB TYR A 82 -13.346 4.538 -5.891 1.00 0.00 C ATOM 1283 CG TYR A 82 -13.068 3.320 -6.765 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -13.213 3.338 -8.155 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -12.671 2.127 -6.173 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -12.967 2.210 -8.912 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -12.425 0.997 -6.927 1.00 0.00 C ATOM 1288 CZ TYR A 82 -12.574 1.042 -8.295 1.00 0.00 C ATOM 1289 OH TYR A 82 -12.328 -0.084 -9.048 1.00 0.00 O ATOM 0 H TYR A 82 -12.401 5.372 -8.395 1.00 0.00 H new ATOM 0 HA TYR A 82 -14.229 6.437 -6.347 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -12.619 4.548 -5.079 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -14.329 4.414 -5.437 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -13.523 4.249 -8.645 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -12.552 2.083 -5.100 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -13.082 2.243 -9.985 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -12.117 0.081 -6.445 1.00 0.00 H new ATOM 0 HH TYR A 82 -12.059 -0.819 -8.459 1.00 0.00 H new ATOM 1299 N VAL A 83 -12.343 8.013 -5.874 1.00 0.00 N ATOM 1300 CA VAL A 83 -11.305 8.902 -5.376 1.00 0.00 C ATOM 1301 C VAL A 83 -11.736 9.562 -4.074 1.00 0.00 C ATOM 1302 O VAL A 83 -12.888 9.966 -3.919 1.00 0.00 O ATOM 1303 CB VAL A 83 -10.950 9.993 -6.400 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -9.736 10.781 -5.935 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -10.710 9.380 -7.772 1.00 0.00 C ATOM 0 H VAL A 83 -13.237 8.471 -6.054 1.00 0.00 H new ATOM 0 HA VAL A 83 -10.421 8.288 -5.200 1.00 0.00 H new ATOM 0 HB VAL A 83 -11.791 10.682 -6.481 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -9.497 11.549 -6.670 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -9.953 11.252 -4.976 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.886 10.108 -5.825 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -10.460 10.167 -8.483 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.886 8.669 -7.714 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -11.612 8.865 -8.103 1.00 0.00 H new ATOM 1315 N PHE A 84 -10.804 9.655 -3.137 1.00 0.00 N ATOM 1316 CA PHE A 84 -11.086 10.254 -1.838 1.00 0.00 C ATOM 1317 C PHE A 84 -9.868 10.989 -1.278 1.00 0.00 C ATOM 1318 O PHE A 84 -8.726 10.608 -1.538 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.543 9.174 -0.863 1.00 0.00 C ATOM 1320 CG PHE A 84 -12.049 7.932 -1.540 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -11.290 7.298 -2.511 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -13.282 7.398 -1.203 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -11.753 6.155 -3.134 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -13.750 6.255 -1.824 1.00 0.00 C ATOM 1325 CZ PHE A 84 -12.984 5.633 -2.791 1.00 0.00 C ATOM 0 H PHE A 84 -9.846 9.324 -3.250 1.00 0.00 H new ATOM 0 HA PHE A 84 -11.881 10.988 -1.970 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.711 8.909 -0.210 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -12.331 9.579 -0.228 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -10.326 7.702 -2.784 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -13.884 7.880 -0.447 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -11.152 5.670 -3.889 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -14.713 5.849 -1.554 1.00 0.00 H new ATOM 0 HZ PHE A 84 -13.348 4.740 -3.278 1.00 0.00 H new ATOM 1335 N ASP A 85 -10.126 12.040 -0.502 1.00 0.00 N ATOM 1336 CA ASP A 85 -9.066 12.835 0.109 1.00 0.00 C ATOM 1337 C ASP A 85 -8.550 12.169 1.367 1.00 0.00 C ATOM 1338 O ASP A 85 -8.046 12.830 2.275 1.00 0.00 O ATOM 1339 CB ASP A 85 -9.567 14.245 0.425 1.00 0.00 C ATOM 1340 CG ASP A 85 -8.432 15.235 0.595 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -7.321 14.808 0.973 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -8.654 16.441 0.350 1.00 0.00 O ATOM 0 H ASP A 85 -11.068 12.362 -0.281 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.244 12.907 -0.604 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.224 14.583 -0.377 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.164 14.220 1.337 1.00 0.00 H new ATOM 1347 N SER A 86 -8.683 10.860 1.414 1.00 0.00 N ATOM 1348 CA SER A 86 -8.238 10.096 2.560 1.00 0.00 C ATOM 1349 C SER A 86 -7.918 8.668 2.159 1.00 0.00 C ATOM 1350 O SER A 86 -8.818 7.852 1.969 1.00 0.00 O ATOM 1351 CB SER A 86 -9.308 10.106 3.653 1.00 0.00 C ATOM 1352 OG SER A 86 -10.602 10.264 3.099 1.00 0.00 O ATOM 0 H SER A 86 -9.098 10.301 0.668 1.00 0.00 H new ATOM 0 HA SER A 86 -7.331 10.559 2.949 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.263 9.176 4.219 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.108 10.916 4.354 1.00 0.00 H new ATOM 0 HG SER A 86 -11.218 10.581 3.792 1.00 0.00 H new ATOM 1358 N ILE A 87 -6.635 8.363 2.046 1.00 0.00 N ATOM 1359 CA ILE A 87 -6.225 7.022 1.683 1.00 0.00 C ATOM 1360 C ILE A 87 -6.786 6.045 2.702 1.00 0.00 C ATOM 1361 O ILE A 87 -7.174 4.926 2.368 1.00 0.00 O ATOM 1362 CB ILE A 87 -4.696 6.895 1.631 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -4.199 6.946 0.185 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.256 5.609 2.303 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -3.496 8.240 -0.161 1.00 0.00 C ATOM 0 H ILE A 87 -5.870 9.020 2.199 1.00 0.00 H new ATOM 0 HA ILE A 87 -6.610 6.798 0.688 1.00 0.00 H new ATOM 0 HB ILE A 87 -4.258 7.736 2.169 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -3.517 6.113 0.013 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.046 6.809 -0.488 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.170 5.529 2.260 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.579 5.614 3.344 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.703 4.758 1.788 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -3.169 8.210 -1.200 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -4.182 9.076 -0.020 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.630 8.368 0.488 1.00 0.00 H new ATOM 1377 N PRO A 88 -6.872 6.487 3.966 1.00 0.00 N ATOM 1378 CA PRO A 88 -7.429 5.681 5.050 1.00 0.00 C ATOM 1379 C PRO A 88 -8.911 5.441 4.818 1.00 0.00 C ATOM 1380 O PRO A 88 -9.399 4.313 4.904 1.00 0.00 O ATOM 1381 CB PRO A 88 -7.211 6.536 6.303 1.00 0.00 C ATOM 1382 CG PRO A 88 -6.255 7.609 5.897 1.00 0.00 C ATOM 1383 CD PRO A 88 -6.467 7.819 4.427 1.00 0.00 C ATOM 0 HA PRO A 88 -6.962 4.699 5.129 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -8.151 6.961 6.655 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.806 5.938 7.119 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -6.441 8.528 6.453 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -5.226 7.314 6.104 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -7.236 8.566 4.232 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -5.558 8.160 3.931 1.00 0.00 H new ATOM 1391 N LEU A 89 -9.617 6.517 4.475 1.00 0.00 N ATOM 1392 CA LEU A 89 -11.036 6.428 4.173 1.00 0.00 C ATOM 1393 C LEU A 89 -11.190 5.616 2.911 1.00 0.00 C ATOM 1394 O LEU A 89 -11.954 4.651 2.849 1.00 0.00 O ATOM 1395 CB LEU A 89 -11.637 7.819 3.984 1.00 0.00 C ATOM 1396 CG LEU A 89 -12.533 7.981 2.753 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -11.690 8.227 1.512 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -13.417 6.758 2.565 1.00 0.00 C ATOM 0 H LEU A 89 -9.227 7.456 4.401 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.564 5.952 4.999 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.218 8.070 4.872 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.824 8.543 3.920 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.178 8.845 2.910 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.342 8.340 0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.103 9.136 1.645 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.020 7.382 1.354 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -14.045 6.895 1.685 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.792 5.875 2.431 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.048 6.627 3.444 1.00 0.00 H new ATOM 1410 N LEU A 90 -10.404 5.997 1.920 1.00 0.00 N ATOM 1411 CA LEU A 90 -10.386 5.292 0.666 1.00 0.00 C ATOM 1412 C LEU A 90 -9.963 3.866 0.967 1.00 0.00 C ATOM 1413 O LEU A 90 -10.530 2.900 0.443 1.00 0.00 O ATOM 1414 CB LEU A 90 -9.432 5.988 -0.302 1.00 0.00 C ATOM 1415 CG LEU A 90 -8.598 5.069 -1.176 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -8.378 5.707 -2.537 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -7.274 4.769 -0.496 1.00 0.00 C ATOM 0 H LEU A 90 -9.770 6.795 1.967 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.365 5.285 0.187 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -10.014 6.645 -0.948 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.758 6.623 0.274 1.00 0.00 H new ATOM 0 HG LEU A 90 -9.129 4.128 -1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.779 5.041 -3.158 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.341 5.882 -3.017 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.856 6.656 -2.414 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.681 4.109 -1.129 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.730 5.699 -0.332 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.459 4.283 0.462 1.00 0.00 H new ATOM 1429 N ILE A 91 -9.014 3.745 1.899 1.00 0.00 N ATOM 1430 CA ILE A 91 -8.576 2.442 2.358 1.00 0.00 C ATOM 1431 C ILE A 91 -9.796 1.754 2.938 1.00 0.00 C ATOM 1432 O ILE A 91 -10.103 0.606 2.614 1.00 0.00 O ATOM 1433 CB ILE A 91 -7.497 2.537 3.460 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -6.084 2.630 2.873 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -7.599 1.339 4.388 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -6.002 2.319 1.397 1.00 0.00 C ATOM 0 H ILE A 91 -8.542 4.533 2.343 1.00 0.00 H new ATOM 0 HA ILE A 91 -8.137 1.898 1.522 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.678 3.453 4.023 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -5.698 3.635 3.042 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.433 1.943 3.414 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.835 1.413 5.162 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -8.585 1.321 4.852 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -7.450 0.423 3.817 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -4.968 2.408 1.063 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -6.354 1.303 1.219 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.624 3.021 0.842 1.00 0.00 H new ATOM 1448 N GLN A 92 -10.520 2.505 3.773 1.00 0.00 N ATOM 1449 CA GLN A 92 -11.748 2.013 4.373 1.00 0.00 C ATOM 1450 C GLN A 92 -12.750 1.713 3.274 1.00 0.00 C ATOM 1451 O GLN A 92 -13.537 0.771 3.366 1.00 0.00 O ATOM 1452 CB GLN A 92 -12.321 3.045 5.347 1.00 0.00 C ATOM 1453 CG GLN A 92 -13.651 3.628 4.901 1.00 0.00 C ATOM 1454 CD GLN A 92 -13.974 4.938 5.593 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -13.090 5.606 6.129 1.00 0.00 O ATOM 1456 NE2 GLN A 92 -15.248 5.312 5.583 1.00 0.00 N ATOM 0 H GLN A 92 -10.270 3.456 4.045 1.00 0.00 H new ATOM 0 HA GLN A 92 -11.536 1.102 4.933 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -12.447 2.579 6.324 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -11.602 3.855 5.470 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -13.631 3.786 3.823 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -14.445 2.909 5.103 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -15.948 4.727 5.127 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -15.527 6.184 6.032 1.00 0.00 H new ATOM 1465 N TYR A 93 -12.695 2.521 2.220 1.00 0.00 N ATOM 1466 CA TYR A 93 -13.575 2.352 1.079 1.00 0.00 C ATOM 1467 C TYR A 93 -13.222 1.073 0.341 1.00 0.00 C ATOM 1468 O TYR A 93 -14.098 0.317 -0.080 1.00 0.00 O ATOM 1469 CB TYR A 93 -13.470 3.549 0.133 1.00 0.00 C ATOM 1470 CG TYR A 93 -14.384 3.452 -1.067 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -15.682 3.945 -1.018 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -13.949 2.865 -2.251 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -16.520 3.858 -2.113 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -14.783 2.776 -3.350 1.00 0.00 C ATOM 1475 CZ TYR A 93 -16.067 3.274 -3.276 1.00 0.00 C ATOM 1476 OH TYR A 93 -16.899 3.185 -4.367 1.00 0.00 O ATOM 0 H TYR A 93 -12.045 3.302 2.137 1.00 0.00 H new ATOM 0 HA TYR A 93 -14.602 2.288 1.439 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.704 4.460 0.685 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -12.440 3.640 -0.211 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -16.042 4.404 -0.109 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -12.945 2.473 -2.312 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -17.526 4.246 -2.058 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -14.431 2.318 -4.263 1.00 0.00 H new ATOM 0 HH TYR A 93 -17.496 2.415 -4.261 1.00 0.00 H new ATOM 1486 N HIS A 94 -11.925 0.836 0.202 1.00 0.00 N ATOM 1487 CA HIS A 94 -11.438 -0.360 -0.472 1.00 0.00 C ATOM 1488 C HIS A 94 -11.690 -1.596 0.382 1.00 0.00 C ATOM 1489 O HIS A 94 -11.266 -2.697 0.042 1.00 0.00 O ATOM 1490 CB HIS A 94 -9.945 -0.230 -0.778 1.00 0.00 C ATOM 1491 CG HIS A 94 -9.639 0.789 -1.823 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -9.902 0.802 -3.152 1.00 0.00 N flip ATOM 1493 CD2 HIS A 94 -8.969 1.961 -1.552 1.00 0.00 C flip ATOM 1494 CE1 HIS A 94 -9.389 1.972 -3.653 1.00 0.00 C flip ATOM 1495 NE2 HIS A 94 -8.833 2.654 -2.669 1.00 0.00 N flip ATOM 0 H HIS A 94 -11.191 1.455 0.547 1.00 0.00 H new ATOM 0 HA HIS A 94 -11.981 -0.468 -1.411 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -9.416 0.031 0.138 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -9.563 -1.198 -1.103 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -10.389 0.078 -3.681 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -8.611 2.266 -0.580 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -9.433 2.284 -4.686 1.00 0.00 H new ATOM 1504 N GLN A 95 -12.385 -1.402 1.498 1.00 0.00 N ATOM 1505 CA GLN A 95 -12.700 -2.500 2.403 1.00 0.00 C ATOM 1506 C GLN A 95 -14.192 -2.537 2.699 1.00 0.00 C ATOM 1507 O GLN A 95 -14.790 -3.607 2.817 1.00 0.00 O ATOM 1508 CB GLN A 95 -11.914 -2.354 3.706 1.00 0.00 C ATOM 1509 CG GLN A 95 -12.155 -1.033 4.415 1.00 0.00 C ATOM 1510 CD GLN A 95 -11.300 -0.876 5.655 1.00 0.00 C ATOM 1511 OE1 GLN A 95 -10.065 -0.427 5.467 1.00 0.00 O flip ATOM 1512 NE2 GLN A 95 -11.743 -1.154 6.769 1.00 0.00 N flip ATOM 0 H GLN A 95 -12.741 -0.494 1.797 1.00 0.00 H new ATOM 0 HA GLN A 95 -12.416 -3.435 1.920 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -12.182 -3.171 4.376 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -10.850 -2.453 3.492 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -11.947 -0.213 3.728 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -13.207 -0.959 4.691 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -12.699 -1.496 6.867 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -11.154 -1.042 7.594 1.00 0.00 H new ATOM 1521 N TYR A 96 -14.781 -1.358 2.815 1.00 0.00 N ATOM 1522 CA TYR A 96 -16.202 -1.233 3.096 1.00 0.00 C ATOM 1523 C TYR A 96 -17.014 -1.240 1.807 1.00 0.00 C ATOM 1524 O TYR A 96 -18.186 -1.619 1.797 1.00 0.00 O ATOM 1525 CB TYR A 96 -16.478 0.049 3.882 1.00 0.00 C ATOM 1526 CG TYR A 96 -17.849 0.633 3.626 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -18.961 0.175 4.322 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -18.033 1.643 2.690 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -20.217 0.706 4.091 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -19.284 2.180 2.454 1.00 0.00 C ATOM 1531 CZ TYR A 96 -20.372 1.708 3.157 1.00 0.00 C ATOM 1532 OH TYR A 96 -21.619 2.241 2.924 1.00 0.00 O ATOM 0 H TYR A 96 -14.293 -0.468 2.718 1.00 0.00 H new ATOM 0 HA TYR A 96 -16.504 -2.090 3.698 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -16.374 -0.158 4.947 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -15.722 0.792 3.626 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -18.843 -0.609 5.056 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -17.183 2.015 2.137 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -21.072 0.338 4.639 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -19.409 2.965 1.723 1.00 0.00 H new ATOM 0 HH TYR A 96 -21.554 2.937 2.237 1.00 0.00 H new ATOM 1542 N ASN A 97 -16.382 -0.817 0.720 1.00 0.00 N ATOM 1543 CA ASN A 97 -17.036 -0.766 -0.579 1.00 0.00 C ATOM 1544 C ASN A 97 -16.675 -1.984 -1.423 1.00 0.00 C ATOM 1545 O ASN A 97 -16.202 -2.995 -0.904 1.00 0.00 O ATOM 1546 CB ASN A 97 -16.648 0.514 -1.319 1.00 0.00 C ATOM 1547 CG ASN A 97 -17.836 1.174 -1.993 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -18.031 1.040 -3.200 1.00 0.00 O ATOM 1549 ND2 ASN A 97 -18.635 1.891 -1.212 1.00 0.00 N ATOM 0 H ASN A 97 -15.412 -0.503 0.714 1.00 0.00 H new ATOM 0 HA ASN A 97 -18.113 -0.770 -0.413 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -16.197 1.214 -0.616 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -15.891 0.282 -2.068 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -19.450 2.359 -1.608 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -18.434 1.974 -0.216 1.00 0.00 H new ATOM 1556 N GLY A 98 -16.903 -1.878 -2.728 1.00 0.00 N ATOM 1557 CA GLY A 98 -16.597 -2.974 -3.628 1.00 0.00 C ATOM 1558 C GLY A 98 -15.744 -2.537 -4.803 1.00 0.00 C ATOM 1559 O GLY A 98 -16.220 -2.476 -5.936 1.00 0.00 O ATOM 0 H GLY A 98 -17.295 -1.051 -3.179 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -16.078 -3.758 -3.077 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -17.526 -3.407 -3.998 1.00 0.00 H new ATOM 1563 N GLY A 99 -14.479 -2.232 -4.531 1.00 0.00 N ATOM 1564 CA GLY A 99 -13.576 -1.799 -5.582 1.00 0.00 C ATOM 1565 C GLY A 99 -13.025 -2.960 -6.391 1.00 0.00 C ATOM 1566 O GLY A 99 -13.743 -3.915 -6.686 1.00 0.00 O ATOM 0 H GLY A 99 -14.063 -2.277 -3.601 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -14.101 -1.113 -6.247 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -12.749 -1.244 -5.140 1.00 0.00 H new ATOM 1570 N GLY A 100 -11.748 -2.875 -6.749 1.00 0.00 N ATOM 1571 CA GLY A 100 -11.123 -3.930 -7.526 1.00 0.00 C ATOM 1572 C GLY A 100 -9.885 -4.492 -6.853 1.00 0.00 C ATOM 1573 O GLY A 100 -9.574 -5.674 -6.996 1.00 0.00 O ATOM 0 H GLY A 100 -11.135 -2.094 -6.515 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -11.842 -4.733 -7.686 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -10.854 -3.542 -8.509 1.00 0.00 H new ATOM 1577 N LEU A 101 -9.179 -3.642 -6.115 1.00 0.00 N ATOM 1578 CA LEU A 101 -7.968 -4.055 -5.414 1.00 0.00 C ATOM 1579 C LEU A 101 -8.109 -5.472 -4.870 1.00 0.00 C ATOM 1580 O LEU A 101 -9.214 -5.922 -4.568 1.00 0.00 O ATOM 1581 CB LEU A 101 -7.671 -3.092 -4.263 1.00 0.00 C ATOM 1582 CG LEU A 101 -7.248 -1.685 -4.685 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -7.769 -1.366 -6.078 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -7.746 -0.655 -3.681 1.00 0.00 C ATOM 0 H LEU A 101 -9.425 -2.661 -5.986 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.143 -4.036 -6.126 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -8.560 -3.014 -3.637 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.882 -3.521 -3.645 1.00 0.00 H new ATOM 0 HG LEU A 101 -6.159 -1.646 -4.708 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -7.458 -0.360 -6.361 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -7.365 -2.085 -6.791 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -8.857 -1.424 -6.081 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -7.436 0.341 -3.997 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -8.834 -0.696 -3.627 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -7.325 -0.871 -2.699 1.00 0.00 H new ATOM 1596 N VAL A 102 -6.983 -6.168 -4.733 1.00 0.00 N ATOM 1597 CA VAL A 102 -6.996 -7.527 -4.207 1.00 0.00 C ATOM 1598 C VAL A 102 -8.019 -7.644 -3.088 1.00 0.00 C ATOM 1599 O VAL A 102 -7.801 -7.148 -1.982 1.00 0.00 O ATOM 1600 CB VAL A 102 -5.608 -7.939 -3.679 1.00 0.00 C ATOM 1601 CG1 VAL A 102 -5.506 -7.691 -2.180 1.00 0.00 C ATOM 1602 CG2 VAL A 102 -5.327 -9.397 -4.006 1.00 0.00 C ATOM 0 H VAL A 102 -6.058 -5.815 -4.977 1.00 0.00 H new ATOM 0 HA VAL A 102 -7.266 -8.197 -5.024 1.00 0.00 H new ATOM 0 HB VAL A 102 -4.855 -7.326 -4.174 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -4.518 -7.989 -1.828 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.660 -6.632 -1.975 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -6.267 -8.275 -1.662 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -4.343 -9.672 -3.626 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -6.085 -10.027 -3.540 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -5.352 -9.539 -5.086 1.00 0.00 H new ATOM 1612 N THR A 103 -9.147 -8.278 -3.379 1.00 0.00 N ATOM 1613 CA THR A 103 -10.202 -8.421 -2.388 1.00 0.00 C ATOM 1614 C THR A 103 -10.361 -7.114 -1.626 1.00 0.00 C ATOM 1615 O THR A 103 -10.731 -7.097 -0.453 1.00 0.00 O ATOM 1616 CB THR A 103 -9.884 -9.562 -1.420 1.00 0.00 C ATOM 1617 OG1 THR A 103 -11.031 -10.362 -1.194 1.00 0.00 O ATOM 1618 CG2 THR A 103 -9.385 -9.082 -0.075 1.00 0.00 C ATOM 0 H THR A 103 -9.353 -8.698 -4.285 1.00 0.00 H new ATOM 0 HA THR A 103 -11.136 -8.659 -2.898 1.00 0.00 H new ATOM 0 HB THR A 103 -9.091 -10.137 -1.899 1.00 0.00 H new ATOM 0 HG1 THR A 103 -11.734 -9.817 -0.783 1.00 0.00 H new ATOM 0 HG21 THR A 103 -9.178 -9.941 0.564 1.00 0.00 H new ATOM 0 HG22 THR A 103 -8.472 -8.503 -0.211 1.00 0.00 H new ATOM 0 HG23 THR A 103 -10.145 -8.456 0.393 1.00 0.00 H new ATOM 1626 N ARG A 104 -10.066 -6.019 -2.318 1.00 0.00 N ATOM 1627 CA ARG A 104 -10.159 -4.688 -1.735 1.00 0.00 C ATOM 1628 C ARG A 104 -9.453 -4.637 -0.383 1.00 0.00 C ATOM 1629 O ARG A 104 -9.168 -5.672 0.217 1.00 0.00 O ATOM 1630 CB ARG A 104 -11.622 -4.279 -1.575 1.00 0.00 C ATOM 1631 CG ARG A 104 -12.570 -5.044 -2.483 1.00 0.00 C ATOM 1632 CD ARG A 104 -14.011 -4.924 -2.010 1.00 0.00 C ATOM 1633 NE ARG A 104 -14.492 -6.162 -1.402 1.00 0.00 N ATOM 1634 CZ ARG A 104 -15.749 -6.348 -1.009 1.00 0.00 C ATOM 1635 NH1 ARG A 104 -16.643 -5.380 -1.154 1.00 0.00 N ATOM 1636 NH2 ARG A 104 -16.111 -7.504 -0.467 1.00 0.00 N ATOM 0 H ARG A 104 -9.758 -6.029 -3.290 1.00 0.00 H new ATOM 0 HA ARG A 104 -9.666 -3.988 -2.409 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -11.922 -4.432 -0.538 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -11.717 -3.213 -1.780 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -12.487 -4.664 -3.501 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -12.281 -6.095 -2.511 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -14.089 -4.111 -1.288 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -14.649 -4.663 -2.854 1.00 0.00 H new ATOM 0 HE ARG A 104 -13.828 -6.925 -1.272 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -16.368 -4.489 -1.568 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -17.606 -5.526 -0.852 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -15.425 -8.250 -0.352 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -17.075 -7.646 -0.166 1.00 0.00 H new ATOM 1650 N LEU A 105 -9.182 -3.426 0.094 1.00 0.00 N ATOM 1651 CA LEU A 105 -8.519 -3.254 1.380 1.00 0.00 C ATOM 1652 C LEU A 105 -9.200 -4.127 2.428 1.00 0.00 C ATOM 1653 O LEU A 105 -10.414 -4.049 2.618 1.00 0.00 O ATOM 1654 CB LEU A 105 -8.545 -1.781 1.815 1.00 0.00 C ATOM 1655 CG LEU A 105 -7.335 -0.943 1.393 1.00 0.00 C ATOM 1656 CD1 LEU A 105 -6.574 -0.449 2.615 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -6.418 -1.741 0.482 1.00 0.00 C ATOM 0 H LEU A 105 -9.410 -2.556 -0.387 1.00 0.00 H new ATOM 0 HA LEU A 105 -7.477 -3.558 1.280 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -9.444 -1.317 1.410 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -8.629 -1.743 2.901 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.698 -0.077 0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.718 0.145 2.295 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -7.232 0.165 3.230 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.227 -1.303 3.197 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.565 -1.126 0.195 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -6.065 -2.628 1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.965 -2.043 -0.411 1.00 0.00 H new ATOM 1669 N ARG A 106 -8.422 -4.974 3.089 1.00 0.00 N ATOM 1670 CA ARG A 106 -8.963 -5.871 4.095 1.00 0.00 C ATOM 1671 C ARG A 106 -8.278 -5.680 5.443 1.00 0.00 C ATOM 1672 O ARG A 106 -8.883 -5.181 6.392 1.00 0.00 O ATOM 1673 CB ARG A 106 -8.810 -7.321 3.637 1.00 0.00 C ATOM 1674 CG ARG A 106 -10.119 -8.092 3.608 1.00 0.00 C ATOM 1675 CD ARG A 106 -10.465 -8.657 4.978 1.00 0.00 C ATOM 1676 NE ARG A 106 -11.466 -9.715 4.896 1.00 0.00 N ATOM 1677 CZ ARG A 106 -12.407 -9.913 5.815 1.00 0.00 C ATOM 1678 NH1 ARG A 106 -12.470 -9.127 6.880 1.00 0.00 N ATOM 1679 NH2 ARG A 106 -13.283 -10.897 5.669 1.00 0.00 N ATOM 0 H ARG A 106 -7.416 -5.057 2.945 1.00 0.00 H new ATOM 0 HA ARG A 106 -10.020 -5.635 4.219 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -8.369 -7.334 2.640 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -8.112 -7.831 4.301 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -10.921 -7.436 3.271 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -10.047 -8.905 2.886 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -9.562 -9.048 5.448 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -10.836 -7.856 5.617 1.00 0.00 H new ATOM 0 HE ARG A 106 -11.443 -10.338 4.089 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -11.797 -8.370 6.995 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -13.192 -9.279 7.584 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -13.236 -11.504 4.851 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -14.004 -11.047 6.375 1.00 0.00 H new ATOM 1693 N TYR A 107 -7.016 -6.090 5.524 1.00 0.00 N ATOM 1694 CA TYR A 107 -6.254 -5.974 6.759 1.00 0.00 C ATOM 1695 C TYR A 107 -5.029 -5.091 6.562 1.00 0.00 C ATOM 1696 O TYR A 107 -4.360 -5.156 5.533 1.00 0.00 O ATOM 1697 CB TYR A 107 -5.823 -7.358 7.244 1.00 0.00 C ATOM 1698 CG TYR A 107 -5.051 -7.336 8.543 1.00 0.00 C ATOM 1699 CD1 TYR A 107 -5.678 -7.022 9.743 1.00 0.00 C ATOM 1700 CD2 TYR A 107 -3.694 -7.630 8.570 1.00 0.00 C ATOM 1701 CE1 TYR A 107 -4.973 -7.002 10.932 1.00 0.00 C ATOM 1702 CE2 TYR A 107 -2.982 -7.610 9.755 1.00 0.00 C ATOM 1703 CZ TYR A 107 -3.625 -7.297 10.932 1.00 0.00 C ATOM 1704 OH TYR A 107 -2.921 -7.278 12.114 1.00 0.00 O ATOM 0 H TYR A 107 -6.501 -6.505 4.748 1.00 0.00 H new ATOM 0 HA TYR A 107 -6.895 -5.513 7.511 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -6.709 -7.981 7.369 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -5.209 -7.827 6.475 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -6.733 -6.790 9.747 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -3.186 -7.878 7.650 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -5.475 -6.757 11.856 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -1.927 -7.839 9.758 1.00 0.00 H new ATOM 0 HH TYR A 107 -1.985 -7.509 11.941 1.00 0.00 H new ATOM 1714 N PRO A 108 -4.727 -4.241 7.550 1.00 0.00 N ATOM 1715 CA PRO A 108 -3.599 -3.335 7.506 1.00 0.00 C ATOM 1716 C PRO A 108 -2.369 -3.900 8.206 1.00 0.00 C ATOM 1717 O PRO A 108 -2.207 -3.745 9.417 1.00 0.00 O ATOM 1718 CB PRO A 108 -4.132 -2.117 8.257 1.00 0.00 C ATOM 1719 CG PRO A 108 -5.259 -2.613 9.119 1.00 0.00 C ATOM 1720 CD PRO A 108 -5.473 -4.073 8.796 1.00 0.00 C ATOM 0 HA PRO A 108 -3.266 -3.129 6.489 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -3.350 -1.661 8.864 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -4.481 -1.354 7.562 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -5.018 -2.486 10.174 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -6.167 -2.041 8.928 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -5.094 -4.722 9.585 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -6.530 -4.309 8.670 1.00 0.00 H new ATOM 1728 N VAL A 109 -1.507 -4.556 7.439 1.00 0.00 N ATOM 1729 CA VAL A 109 -0.297 -5.144 7.988 1.00 0.00 C ATOM 1730 C VAL A 109 0.837 -4.124 8.043 1.00 0.00 C ATOM 1731 O VAL A 109 1.943 -4.384 7.570 1.00 0.00 O ATOM 1732 CB VAL A 109 0.161 -6.362 7.164 1.00 0.00 C ATOM 1733 CG1 VAL A 109 0.352 -5.981 5.705 1.00 0.00 C ATOM 1734 CG2 VAL A 109 1.441 -6.944 7.743 1.00 0.00 C ATOM 0 H VAL A 109 -1.626 -4.693 6.435 1.00 0.00 H new ATOM 0 HA VAL A 109 -0.537 -5.470 9.000 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.615 -7.125 7.215 1.00 0.00 H new ATOM 0 HG11 VAL A 109 0.676 -6.855 5.140 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.591 -5.615 5.298 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.108 -5.200 5.629 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.751 -7.804 7.149 1.00 0.00 H new ATOM 0 HG22 VAL A 109 2.226 -6.188 7.724 1.00 0.00 H new ATOM 0 HG23 VAL A 109 1.265 -7.258 8.772 1.00 0.00 H new ATOM 1744 N CYS A 110 0.553 -2.962 8.622 1.00 0.00 N ATOM 1745 CA CYS A 110 1.551 -1.904 8.740 1.00 0.00 C ATOM 1746 C CYS A 110 2.737 -2.366 9.582 1.00 0.00 C ATOM 1747 O CYS A 110 2.609 -2.578 10.789 1.00 0.00 O ATOM 1748 CB CYS A 110 0.927 -0.652 9.361 1.00 0.00 C ATOM 1749 SG CYS A 110 2.080 0.336 10.344 1.00 0.00 S ATOM 0 H CYS A 110 -0.358 -2.729 9.016 1.00 0.00 H new ATOM 0 HA CYS A 110 1.910 -1.664 7.739 1.00 0.00 H new ATOM 0 HB2 CYS A 110 0.519 -0.029 8.565 1.00 0.00 H new ATOM 0 HB3 CYS A 110 0.091 -0.951 9.993 1.00 0.00 H new ATOM 0 HG CYS A 110 2.747 1.131 9.561 1.00 0.00 H new ATOM 1755 N GLY A 111 3.888 -2.521 8.938 1.00 0.00 N ATOM 1756 CA GLY A 111 5.079 -2.956 9.642 1.00 0.00 C ATOM 1757 C GLY A 111 6.195 -1.932 9.586 1.00 0.00 C ATOM 1758 O GLY A 111 6.675 -1.637 8.472 1.00 0.00 O ATOM 0 H GLY A 111 4.017 -2.353 7.940 1.00 0.00 H new ATOM 0 HA2 GLY A 111 4.828 -3.158 10.683 1.00 0.00 H new ATOM 0 HA3 GLY A 111 5.429 -3.894 9.211 1.00 0.00 H new