USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=34 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+ -152:sc= -2.31! (180deg=-3.39!) USER MOD Set 1.2: A 93 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 48 SER OG : rot -25:sc= 0.485 USER MOD Set 2.2: A 63 HIS :FLIP no HE2:sc= -9.26! C(o=-9.5!,f=-8.8!) USER MOD Set 3.1: A 5 ASN :FLIP amide:sc= 0.828 F(o=0.0013,f=1) USER MOD Set 3.2: A 9 TYR OH : rot -14:sc= 0.196! USER MOD Single : A 8 THR OG1 : rot -26:sc= 0.479 USER MOD Single : A 12 TYR OH : rot 119:sc= 0.735 USER MOD Single : A 13 ASN :FLIP amide:sc= -0.097 F(o=-3.1!,f=-0.097) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 176:sc= -3.45! USER MOD Single : A 20 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.538) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 72:sc= -8.69! USER MOD Single : A 30 LYS NZ :NH3+ -132:sc= -0.203! (180deg=-1.55!) USER MOD Single : A 35 MET CE :methyl 178:sc= -32.6! (180deg=-33.3!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 170:sc= -3.89! USER MOD Single : A 51 THR OG1 : rot 80:sc= -1.49 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -104:sc= 0.72 (180deg=-0.662) USER MOD Single : A 64 TYR OH : rot -51:sc= -10.8! USER MOD Single : A 65 HIS :FLIP no HE2:sc= -3.76! C(o=-6.3!,f=-3.8!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 124:sc= -7.99! USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.0133 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN :FLIP amide:sc= -0.497 F(o=-1.8,f=-0.5) USER MOD Single : A 94 HIS : no HE2:sc= -32.9! C(o=-33!,f=-33!) USER MOD Single : A 95 GLN :FLIP amide:sc= -10.2! C(o=-13!,f=-10!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -5.37! C(o=-5.4!,f=-5.2!) USER MOD Single : A 103 THR OG1 : rot -67:sc= 0.873 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot -68:sc= -8.73! USER MOD ----------------------------------------------------------------- ATOM 21 N ASN A 5 -3.104 12.169 7.562 1.00 0.00 N ATOM 22 CA ASN A 5 -3.288 11.198 8.634 1.00 0.00 C ATOM 23 C ASN A 5 -2.999 9.784 8.143 1.00 0.00 C ATOM 24 O ASN A 5 -3.257 8.809 8.846 1.00 0.00 O ATOM 25 CB ASN A 5 -4.713 11.278 9.184 1.00 0.00 C ATOM 26 CG ASN A 5 -5.666 11.963 8.222 1.00 0.00 C ATOM 27 OD1 ASN A 5 -6.438 11.169 7.489 1.00 0.00 O flip ATOM 28 ND2 ASN A 5 -5.706 13.191 8.140 1.00 0.00 N flip ATOM 0 HA ASN A 5 -2.584 11.437 9.431 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -5.075 10.272 9.395 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -4.705 11.819 10.130 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -5.094 13.761 8.723 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -6.351 13.638 7.489 1.00 0.00 H new ATOM 35 N LEU A 6 -2.461 9.680 6.933 1.00 0.00 N ATOM 36 CA LEU A 6 -2.139 8.386 6.343 1.00 0.00 C ATOM 37 C LEU A 6 -1.112 7.641 7.192 1.00 0.00 C ATOM 38 O LEU A 6 -1.235 6.440 7.430 1.00 0.00 O ATOM 39 CB LEU A 6 -1.605 8.581 4.919 1.00 0.00 C ATOM 40 CG LEU A 6 -1.562 7.318 4.057 1.00 0.00 C ATOM 41 CD1 LEU A 6 -2.852 7.175 3.266 1.00 0.00 C ATOM 42 CD2 LEU A 6 -0.369 7.352 3.115 1.00 0.00 C ATOM 0 H LEU A 6 -2.238 10.479 6.340 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.049 7.787 6.307 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.224 9.324 4.415 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.598 8.994 4.980 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.457 6.456 4.716 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.807 6.272 2.657 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.695 7.108 3.954 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.980 8.043 2.619 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.357 6.445 2.511 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.445 8.222 2.462 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.551 7.414 3.696 1.00 0.00 H new ATOM 54 N GLU A 7 -0.101 8.370 7.634 1.00 0.00 N ATOM 55 CA GLU A 7 0.970 7.812 8.450 1.00 0.00 C ATOM 56 C GLU A 7 0.465 7.401 9.827 1.00 0.00 C ATOM 57 O GLU A 7 1.125 6.640 10.537 1.00 0.00 O ATOM 58 CB GLU A 7 2.103 8.828 8.597 1.00 0.00 C ATOM 59 CG GLU A 7 1.804 9.931 9.601 1.00 0.00 C ATOM 60 CD GLU A 7 1.671 9.410 11.018 1.00 0.00 C ATOM 61 OE1 GLU A 7 2.538 8.616 11.443 1.00 0.00 O ATOM 62 OE2 GLU A 7 0.700 9.794 11.702 1.00 0.00 O ATOM 0 H GLU A 7 0.003 9.366 7.438 1.00 0.00 H new ATOM 0 HA GLU A 7 1.343 6.921 7.945 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.010 8.307 8.902 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.305 9.278 7.625 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.599 10.675 9.565 1.00 0.00 H new ATOM 0 HG3 GLU A 7 0.881 10.436 9.316 1.00 0.00 H new ATOM 69 N THR A 8 -0.699 7.911 10.208 1.00 0.00 N ATOM 70 CA THR A 8 -1.273 7.593 11.510 1.00 0.00 C ATOM 71 C THR A 8 -2.174 6.367 11.435 1.00 0.00 C ATOM 72 O THR A 8 -2.665 5.885 12.457 1.00 0.00 O ATOM 73 CB THR A 8 -2.053 8.787 12.061 1.00 0.00 C ATOM 74 OG1 THR A 8 -2.594 8.488 13.336 1.00 0.00 O ATOM 75 CG2 THR A 8 -3.196 9.221 11.170 1.00 0.00 C ATOM 0 H THR A 8 -1.262 8.543 9.638 1.00 0.00 H new ATOM 0 HA THR A 8 -0.449 7.367 12.187 1.00 0.00 H new ATOM 0 HB THR A 8 -1.330 9.600 12.118 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.727 7.520 13.416 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.706 10.072 11.621 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.807 9.507 10.193 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.900 8.397 11.053 1.00 0.00 H new ATOM 83 N TYR A 9 -2.387 5.857 10.227 1.00 0.00 N ATOM 84 CA TYR A 9 -3.224 4.686 10.042 1.00 0.00 C ATOM 85 C TYR A 9 -2.426 3.413 10.262 1.00 0.00 C ATOM 86 O TYR A 9 -1.202 3.448 10.395 1.00 0.00 O ATOM 87 CB TYR A 9 -3.845 4.680 8.648 1.00 0.00 C ATOM 88 CG TYR A 9 -4.879 5.758 8.461 1.00 0.00 C ATOM 89 CD1 TYR A 9 -4.513 7.018 8.021 1.00 0.00 C ATOM 90 CD2 TYR A 9 -6.219 5.520 8.736 1.00 0.00 C ATOM 91 CE1 TYR A 9 -5.449 8.017 7.857 1.00 0.00 C ATOM 92 CE2 TYR A 9 -7.165 6.512 8.576 1.00 0.00 C ATOM 93 CZ TYR A 9 -6.778 7.760 8.136 1.00 0.00 C ATOM 94 OH TYR A 9 -7.718 8.756 7.976 1.00 0.00 O ATOM 0 H TYR A 9 -1.992 6.237 9.367 1.00 0.00 H new ATOM 0 HA TYR A 9 -4.025 4.727 10.780 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.058 4.806 7.905 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -4.304 3.708 8.465 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -3.475 7.222 7.802 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.526 4.543 9.080 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.145 8.995 7.513 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -8.204 6.312 8.794 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.266 9.620 7.882 1.00 0.00 H new ATOM 104 N GLU A 10 -3.128 2.290 10.315 1.00 0.00 N ATOM 105 CA GLU A 10 -2.487 1.005 10.537 1.00 0.00 C ATOM 106 C GLU A 10 -1.912 0.432 9.251 1.00 0.00 C ATOM 107 O GLU A 10 -1.901 -0.783 9.062 1.00 0.00 O ATOM 108 CB GLU A 10 -3.486 0.016 11.133 1.00 0.00 C ATOM 109 CG GLU A 10 -4.933 0.459 11.004 1.00 0.00 C ATOM 110 CD GLU A 10 -5.263 1.639 11.898 1.00 0.00 C ATOM 111 OE1 GLU A 10 -5.125 1.504 13.132 1.00 0.00 O ATOM 112 OE2 GLU A 10 -5.661 2.695 11.365 1.00 0.00 O ATOM 0 H GLU A 10 -4.141 2.244 10.207 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.665 1.166 11.234 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.365 -0.949 10.642 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.253 -0.132 12.187 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.137 0.725 9.967 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.588 -0.376 11.253 1.00 0.00 H new ATOM 119 N TRP A 11 -1.449 1.295 8.356 1.00 0.00 N ATOM 120 CA TRP A 11 -0.907 0.810 7.097 1.00 0.00 C ATOM 121 C TRP A 11 0.089 1.771 6.448 1.00 0.00 C ATOM 122 O TRP A 11 0.684 1.431 5.425 1.00 0.00 O ATOM 123 CB TRP A 11 -2.057 0.533 6.138 1.00 0.00 C ATOM 124 CG TRP A 11 -3.218 1.454 6.344 1.00 0.00 C ATOM 125 CD1 TRP A 11 -4.221 1.324 7.261 1.00 0.00 C ATOM 126 CD2 TRP A 11 -3.498 2.647 5.613 1.00 0.00 C ATOM 127 NE1 TRP A 11 -5.104 2.367 7.144 1.00 0.00 N ATOM 128 CE2 TRP A 11 -4.685 3.190 6.131 1.00 0.00 C ATOM 129 CE3 TRP A 11 -2.855 3.307 4.568 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -5.244 4.364 5.631 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -3.406 4.472 4.074 1.00 0.00 C ATOM 132 CH2 TRP A 11 -4.594 4.989 4.604 1.00 0.00 C ATOM 0 H TRP A 11 -1.437 2.308 8.474 1.00 0.00 H new ATOM 0 HA TRP A 11 -0.351 -0.101 7.317 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -1.700 0.629 5.113 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -2.389 -0.497 6.264 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -4.307 0.518 7.974 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -5.936 2.507 7.717 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -1.940 2.913 4.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.159 4.766 6.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.913 4.993 3.266 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -5.005 5.899 4.193 1.00 0.00 H new ATOM 143 N TYR A 12 0.292 2.957 7.014 1.00 0.00 N ATOM 144 CA TYR A 12 1.235 3.886 6.421 1.00 0.00 C ATOM 145 C TYR A 12 2.576 3.832 7.133 1.00 0.00 C ATOM 146 O TYR A 12 2.681 4.145 8.319 1.00 0.00 O ATOM 147 CB TYR A 12 0.703 5.315 6.416 1.00 0.00 C ATOM 148 CG TYR A 12 1.473 6.187 5.457 1.00 0.00 C ATOM 149 CD1 TYR A 12 2.540 5.656 4.751 1.00 0.00 C ATOM 150 CD2 TYR A 12 1.144 7.517 5.244 1.00 0.00 C ATOM 151 CE1 TYR A 12 3.258 6.415 3.864 1.00 0.00 C ATOM 152 CE2 TYR A 12 1.861 8.292 4.351 1.00 0.00 C ATOM 153 CZ TYR A 12 2.918 7.735 3.663 1.00 0.00 C ATOM 154 OH TYR A 12 3.636 8.501 2.772 1.00 0.00 O ATOM 0 H TYR A 12 -0.172 3.287 7.860 1.00 0.00 H new ATOM 0 HA TYR A 12 1.373 3.577 5.385 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.351 5.311 6.140 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.768 5.732 7.421 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.812 4.622 4.903 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.316 7.954 5.783 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.087 5.980 3.325 1.00 0.00 H new ATOM 0 HE2 TYR A 12 1.595 9.327 4.194 1.00 0.00 H new ATOM 0 HH TYR A 12 3.044 8.809 2.054 1.00 0.00 H new ATOM 164 N ASN A 13 3.595 3.424 6.393 1.00 0.00 N ATOM 165 CA ASN A 13 4.939 3.315 6.928 1.00 0.00 C ATOM 166 C ASN A 13 5.862 4.345 6.281 1.00 0.00 C ATOM 167 O ASN A 13 5.868 4.504 5.060 1.00 0.00 O ATOM 168 CB ASN A 13 5.464 1.907 6.686 1.00 0.00 C ATOM 169 CG ASN A 13 5.307 1.014 7.896 1.00 0.00 C ATOM 170 OD1 ASN A 13 4.342 0.109 7.834 1.00 0.00 O flip ATOM 171 ND2 ASN A 13 6.043 1.139 8.876 1.00 0.00 N flip ATOM 0 H ASN A 13 3.513 3.161 5.411 1.00 0.00 H new ATOM 0 HA ASN A 13 4.913 3.512 8.000 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.935 1.466 5.842 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.517 1.958 6.410 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.773 1.851 8.878 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.922 0.530 9.686 1.00 0.00 H new ATOM 178 N LYS A 14 6.631 5.050 7.103 1.00 0.00 N ATOM 179 CA LYS A 14 7.545 6.071 6.608 1.00 0.00 C ATOM 180 C LYS A 14 8.868 5.464 6.146 1.00 0.00 C ATOM 181 O LYS A 14 9.475 4.658 6.852 1.00 0.00 O ATOM 182 CB LYS A 14 7.807 7.113 7.695 1.00 0.00 C ATOM 183 CG LYS A 14 7.955 8.527 7.159 1.00 0.00 C ATOM 184 CD LYS A 14 9.299 8.726 6.476 1.00 0.00 C ATOM 185 CE LYS A 14 9.131 9.117 5.018 1.00 0.00 C ATOM 186 NZ LYS A 14 10.434 9.445 4.376 1.00 0.00 N ATOM 0 H LYS A 14 6.639 4.933 8.116 1.00 0.00 H new ATOM 0 HA LYS A 14 7.074 6.549 5.749 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.988 7.090 8.414 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.714 6.842 8.236 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.152 8.735 6.452 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.852 9.240 7.977 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.863 9.499 6.998 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.881 7.807 6.542 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.655 8.300 4.476 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.465 9.977 4.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.275 9.707 3.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.877 10.241 4.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.061 8.616 4.420 1.00 0.00 H new ATOM 200 N SER A 15 9.309 5.860 4.954 1.00 0.00 N ATOM 201 CA SER A 15 10.561 5.365 4.392 1.00 0.00 C ATOM 202 C SER A 15 10.573 3.846 4.358 1.00 0.00 C ATOM 203 O SER A 15 11.528 3.206 4.802 1.00 0.00 O ATOM 204 CB SER A 15 11.752 5.881 5.204 1.00 0.00 C ATOM 205 OG SER A 15 12.804 6.302 4.354 1.00 0.00 O ATOM 0 H SER A 15 8.815 6.524 4.358 1.00 0.00 H new ATOM 0 HA SER A 15 10.644 5.735 3.370 1.00 0.00 H new ATOM 0 HB2 SER A 15 11.434 6.712 5.834 1.00 0.00 H new ATOM 0 HB3 SER A 15 12.110 5.096 5.870 1.00 0.00 H new ATOM 0 HG SER A 15 13.552 6.629 4.896 1.00 0.00 H new ATOM 211 N ILE A 16 9.501 3.276 3.828 1.00 0.00 N ATOM 212 CA ILE A 16 9.369 1.831 3.732 1.00 0.00 C ATOM 213 C ILE A 16 9.400 1.371 2.277 1.00 0.00 C ATOM 214 O ILE A 16 10.403 0.840 1.804 1.00 0.00 O ATOM 215 CB ILE A 16 8.061 1.364 4.398 1.00 0.00 C ATOM 216 CG1 ILE A 16 7.440 0.190 3.632 1.00 0.00 C ATOM 217 CG2 ILE A 16 7.082 2.523 4.494 1.00 0.00 C ATOM 218 CD1 ILE A 16 6.195 0.555 2.853 1.00 0.00 C ATOM 0 H ILE A 16 8.706 3.796 3.456 1.00 0.00 H new ATOM 0 HA ILE A 16 10.216 1.385 4.254 1.00 0.00 H new ATOM 0 HB ILE A 16 8.293 1.016 5.405 1.00 0.00 H new ATOM 0 HG12 ILE A 16 8.182 -0.215 2.943 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.195 -0.603 4.339 1.00 0.00 H new ATOM 0 HG21 ILE A 16 6.160 2.183 4.966 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.522 3.322 5.091 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.861 2.896 3.494 1.00 0.00 H new ATOM 0 HD11 ILE A 16 5.816 -0.328 2.339 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.435 0.931 3.538 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.437 1.325 2.121 1.00 0.00 H new ATOM 230 N SER A 17 8.289 1.577 1.582 1.00 0.00 N ATOM 231 CA SER A 17 8.163 1.184 0.186 1.00 0.00 C ATOM 232 C SER A 17 7.379 -0.115 0.082 1.00 0.00 C ATOM 233 O SER A 17 7.302 -0.882 1.042 1.00 0.00 O ATOM 234 CB SER A 17 9.540 1.024 -0.462 1.00 0.00 C ATOM 235 OG SER A 17 9.933 -0.338 -0.494 1.00 0.00 O ATOM 0 H SER A 17 7.455 2.019 1.968 1.00 0.00 H new ATOM 0 HA SER A 17 7.626 1.969 -0.346 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.517 1.423 -1.476 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.276 1.605 0.093 1.00 0.00 H new ATOM 0 HG SER A 17 10.785 -0.421 -0.970 1.00 0.00 H new ATOM 241 N ARG A 18 6.798 -0.360 -1.081 1.00 0.00 N ATOM 242 CA ARG A 18 6.022 -1.568 -1.293 1.00 0.00 C ATOM 243 C ARG A 18 6.875 -2.800 -1.019 1.00 0.00 C ATOM 244 O ARG A 18 6.351 -3.872 -0.708 1.00 0.00 O ATOM 245 CB ARG A 18 5.482 -1.613 -2.724 1.00 0.00 C ATOM 246 CG ARG A 18 6.201 -2.615 -3.613 1.00 0.00 C ATOM 247 CD ARG A 18 7.657 -2.233 -3.819 1.00 0.00 C ATOM 248 NE ARG A 18 7.863 -1.515 -5.073 1.00 0.00 N ATOM 249 CZ ARG A 18 7.589 -2.026 -6.269 1.00 0.00 C ATOM 250 NH1 ARG A 18 7.101 -3.255 -6.370 1.00 0.00 N ATOM 251 NH2 ARG A 18 7.804 -1.310 -7.364 1.00 0.00 N ATOM 0 H ARG A 18 6.849 0.260 -1.889 1.00 0.00 H new ATOM 0 HA ARG A 18 5.180 -1.561 -0.601 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.421 -1.861 -2.696 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.566 -0.621 -3.167 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.144 -3.607 -3.165 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.699 -2.672 -4.579 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.990 -1.612 -2.987 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.272 -3.133 -3.811 1.00 0.00 H new ATOM 0 HE ARG A 18 8.238 -0.568 -5.029 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.936 -3.809 -5.530 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.891 -3.646 -7.288 1.00 0.00 H new ATOM 0 HH21 ARG A 18 8.180 -0.365 -7.290 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.593 -1.704 -8.281 1.00 0.00 H new ATOM 265 N ASP A 19 8.192 -2.641 -1.124 1.00 0.00 N ATOM 266 CA ASP A 19 9.102 -3.755 -0.878 1.00 0.00 C ATOM 267 C ASP A 19 9.036 -4.164 0.582 1.00 0.00 C ATOM 268 O ASP A 19 8.981 -5.352 0.915 1.00 0.00 O ATOM 269 CB ASP A 19 10.534 -3.373 -1.255 1.00 0.00 C ATOM 270 CG ASP A 19 11.169 -4.379 -2.196 1.00 0.00 C ATOM 271 OD1 ASP A 19 10.421 -5.102 -2.888 1.00 0.00 O ATOM 272 OD2 ASP A 19 12.417 -4.443 -2.242 1.00 0.00 O ATOM 0 H ASP A 19 8.648 -1.764 -1.374 1.00 0.00 H new ATOM 0 HA ASP A 19 8.797 -4.598 -1.498 1.00 0.00 H new ATOM 0 HB2 ASP A 19 10.534 -2.389 -1.725 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.137 -3.294 -0.350 1.00 0.00 H new ATOM 277 N LYS A 20 8.978 -3.168 1.451 1.00 0.00 N ATOM 278 CA LYS A 20 8.859 -3.427 2.871 1.00 0.00 C ATOM 279 C LYS A 20 7.444 -3.876 3.144 1.00 0.00 C ATOM 280 O LYS A 20 7.214 -4.912 3.763 1.00 0.00 O ATOM 281 CB LYS A 20 9.201 -2.187 3.697 1.00 0.00 C ATOM 282 CG LYS A 20 10.028 -1.161 2.944 1.00 0.00 C ATOM 283 CD LYS A 20 11.393 -1.711 2.569 1.00 0.00 C ATOM 284 CE LYS A 20 12.059 -0.859 1.501 1.00 0.00 C ATOM 285 NZ LYS A 20 13.121 -1.606 0.774 1.00 0.00 N ATOM 0 H LYS A 20 9.011 -2.180 1.198 1.00 0.00 H new ATOM 0 HA LYS A 20 9.567 -4.203 3.162 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.276 -1.719 4.033 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.745 -2.495 4.590 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.497 -0.856 2.042 1.00 0.00 H new ATOM 0 HG3 LYS A 20 10.151 -0.269 3.559 1.00 0.00 H new ATOM 0 HD2 LYS A 20 12.028 -1.749 3.454 1.00 0.00 H new ATOM 0 HD3 LYS A 20 11.288 -2.734 2.208 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.307 -0.515 0.791 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.491 0.029 1.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.194 -1.247 -0.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 14.031 -1.476 1.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.881 -2.618 0.752 1.00 0.00 H new ATOM 299 N ALA A 21 6.497 -3.110 2.621 1.00 0.00 N ATOM 300 CA ALA A 21 5.097 -3.454 2.763 1.00 0.00 C ATOM 301 C ALA A 21 4.928 -4.903 2.347 1.00 0.00 C ATOM 302 O ALA A 21 4.370 -5.723 3.084 1.00 0.00 O ATOM 303 CB ALA A 21 4.234 -2.536 1.915 1.00 0.00 C ATOM 0 H ALA A 21 6.675 -2.252 2.098 1.00 0.00 H new ATOM 0 HA ALA A 21 4.778 -3.328 3.798 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.186 -2.809 2.034 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.378 -1.504 2.234 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.518 -2.635 0.867 1.00 0.00 H new ATOM 309 N GLU A 22 5.479 -5.225 1.179 1.00 0.00 N ATOM 310 CA GLU A 22 5.450 -6.586 0.689 1.00 0.00 C ATOM 311 C GLU A 22 6.267 -7.454 1.628 1.00 0.00 C ATOM 312 O GLU A 22 5.855 -8.550 2.007 1.00 0.00 O ATOM 313 CB GLU A 22 6.010 -6.664 -0.734 1.00 0.00 C ATOM 314 CG GLU A 22 5.309 -7.688 -1.610 1.00 0.00 C ATOM 315 CD GLU A 22 6.258 -8.388 -2.562 1.00 0.00 C ATOM 316 OE1 GLU A 22 6.815 -7.710 -3.450 1.00 0.00 O ATOM 317 OE2 GLU A 22 6.443 -9.615 -2.419 1.00 0.00 O ATOM 0 H GLU A 22 5.947 -4.560 0.563 1.00 0.00 H new ATOM 0 HA GLU A 22 4.420 -6.940 0.658 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.929 -5.683 -1.201 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.071 -6.907 -0.685 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.823 -8.430 -0.977 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.524 -7.194 -2.183 1.00 0.00 H new ATOM 324 N LYS A 23 7.427 -6.935 2.024 1.00 0.00 N ATOM 325 CA LYS A 23 8.300 -7.646 2.943 1.00 0.00 C ATOM 326 C LYS A 23 7.541 -8.025 4.205 1.00 0.00 C ATOM 327 O LYS A 23 7.529 -9.189 4.609 1.00 0.00 O ATOM 328 CB LYS A 23 9.517 -6.788 3.297 1.00 0.00 C ATOM 329 CG LYS A 23 10.648 -7.575 3.940 1.00 0.00 C ATOM 330 CD LYS A 23 11.696 -7.980 2.917 1.00 0.00 C ATOM 331 CE LYS A 23 11.960 -6.865 1.918 1.00 0.00 C ATOM 332 NZ LYS A 23 13.200 -7.107 1.129 1.00 0.00 N ATOM 0 H LYS A 23 7.780 -6.027 1.722 1.00 0.00 H new ATOM 0 HA LYS A 23 8.647 -8.557 2.455 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.888 -6.307 2.392 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.206 -5.993 3.975 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.113 -6.973 4.721 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.245 -8.466 4.422 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.623 -8.239 3.428 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.363 -8.873 2.388 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.111 -6.776 1.241 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.046 -5.916 2.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.344 -6.324 0.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 14.015 -7.167 1.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.108 -8.000 0.603 1.00 0.00 H new ATOM 346 N LEU A 24 6.889 -7.043 4.815 1.00 0.00 N ATOM 347 CA LEU A 24 6.107 -7.297 6.021 1.00 0.00 C ATOM 348 C LEU A 24 4.882 -8.131 5.677 1.00 0.00 C ATOM 349 O LEU A 24 4.541 -9.076 6.387 1.00 0.00 O ATOM 350 CB LEU A 24 5.653 -6.007 6.725 1.00 0.00 C ATOM 351 CG LEU A 24 6.396 -4.719 6.365 1.00 0.00 C ATOM 352 CD1 LEU A 24 7.861 -4.991 6.050 1.00 0.00 C ATOM 353 CD2 LEU A 24 5.699 -4.020 5.209 1.00 0.00 C ATOM 0 H LEU A 24 6.885 -6.073 4.500 1.00 0.00 H new ATOM 0 HA LEU A 24 6.760 -7.834 6.709 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.595 -5.859 6.510 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.741 -6.159 7.801 1.00 0.00 H new ATOM 0 HG LEU A 24 6.375 -4.056 7.230 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.359 -4.055 5.798 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.344 -5.436 6.920 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.930 -5.677 5.206 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.236 -3.104 4.961 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.684 -4.679 4.341 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.676 -3.775 5.495 1.00 0.00 H new ATOM 365 N LEU A 25 4.214 -7.761 4.585 1.00 0.00 N ATOM 366 CA LEU A 25 3.016 -8.466 4.155 1.00 0.00 C ATOM 367 C LEU A 25 3.311 -9.927 3.847 1.00 0.00 C ATOM 368 O LEU A 25 2.642 -10.826 4.354 1.00 0.00 O ATOM 369 CB LEU A 25 2.413 -7.777 2.934 1.00 0.00 C ATOM 370 CG LEU A 25 1.810 -6.401 3.213 1.00 0.00 C ATOM 371 CD1 LEU A 25 1.426 -5.705 1.916 1.00 0.00 C ATOM 372 CD2 LEU A 25 0.605 -6.528 4.132 1.00 0.00 C ATOM 0 H LEU A 25 4.484 -6.980 3.987 1.00 0.00 H new ATOM 0 HA LEU A 25 2.296 -8.438 4.973 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.187 -7.673 2.173 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.639 -8.420 2.516 1.00 0.00 H new ATOM 0 HG LEU A 25 2.563 -5.791 3.712 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.999 -4.727 2.140 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.312 -5.580 1.294 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.691 -6.308 1.383 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.186 -5.540 4.322 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.149 -7.157 3.659 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.913 -6.979 5.075 1.00 0.00 H new ATOM 384 N LEU A 26 4.320 -10.160 3.026 1.00 0.00 N ATOM 385 CA LEU A 26 4.703 -11.520 2.663 1.00 0.00 C ATOM 386 C LEU A 26 5.024 -12.323 3.912 1.00 0.00 C ATOM 387 O LEU A 26 4.546 -13.443 4.092 1.00 0.00 O ATOM 388 CB LEU A 26 5.913 -11.513 1.729 1.00 0.00 C ATOM 389 CG LEU A 26 5.725 -10.730 0.429 1.00 0.00 C ATOM 390 CD1 LEU A 26 4.370 -10.041 0.411 1.00 0.00 C ATOM 391 CD2 LEU A 26 6.848 -9.719 0.258 1.00 0.00 C ATOM 0 H LEU A 26 4.889 -9.430 2.597 1.00 0.00 H new ATOM 0 HA LEU A 26 3.865 -11.982 2.142 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.765 -11.096 2.266 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.167 -12.544 1.481 1.00 0.00 H new ATOM 0 HG LEU A 26 5.759 -11.428 -0.407 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.255 -9.489 -0.522 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.581 -10.789 0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.302 -9.351 1.252 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.703 -9.168 -0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.842 -9.023 1.097 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.805 -10.240 0.225 1.00 0.00 H new ATOM 403 N ASP A 27 5.839 -11.732 4.767 1.00 0.00 N ATOM 404 CA ASP A 27 6.242 -12.367 6.014 1.00 0.00 C ATOM 405 C ASP A 27 5.060 -12.513 6.965 1.00 0.00 C ATOM 406 O ASP A 27 4.969 -13.483 7.717 1.00 0.00 O ATOM 407 CB ASP A 27 7.357 -11.562 6.684 1.00 0.00 C ATOM 408 CG ASP A 27 8.718 -11.840 6.078 1.00 0.00 C ATOM 409 OD1 ASP A 27 8.792 -12.665 5.141 1.00 0.00 O ATOM 410 OD2 ASP A 27 9.709 -11.236 6.539 1.00 0.00 O ATOM 0 H ASP A 27 6.239 -10.805 4.621 1.00 0.00 H new ATOM 0 HA ASP A 27 6.614 -13.364 5.777 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.135 -10.498 6.598 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.382 -11.797 7.748 1.00 0.00 H new ATOM 415 N THR A 28 4.163 -11.537 6.931 1.00 0.00 N ATOM 416 CA THR A 28 2.988 -11.547 7.794 1.00 0.00 C ATOM 417 C THR A 28 2.090 -12.735 7.481 1.00 0.00 C ATOM 418 O THR A 28 1.667 -13.463 8.379 1.00 0.00 O ATOM 419 CB THR A 28 2.201 -10.245 7.641 1.00 0.00 C ATOM 420 OG1 THR A 28 2.449 -9.657 6.378 1.00 0.00 O ATOM 421 CG2 THR A 28 2.534 -9.217 8.700 1.00 0.00 C ATOM 0 H THR A 28 4.226 -10.727 6.314 1.00 0.00 H new ATOM 0 HA THR A 28 3.331 -11.636 8.825 1.00 0.00 H new ATOM 0 HB THR A 28 1.153 -10.525 7.748 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.007 -10.184 5.680 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.941 -8.318 8.533 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.307 -9.623 9.686 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.594 -8.968 8.645 1.00 0.00 H new ATOM 429 N GLY A 29 1.810 -12.930 6.203 1.00 0.00 N ATOM 430 CA GLY A 29 0.969 -14.039 5.791 1.00 0.00 C ATOM 431 C GLY A 29 -0.493 -13.830 6.136 1.00 0.00 C ATOM 432 O GLY A 29 -1.260 -14.791 6.216 1.00 0.00 O ATOM 0 H GLY A 29 2.149 -12.342 5.442 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.066 -14.182 4.715 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.323 -14.953 6.268 1.00 0.00 H new ATOM 436 N LYS A 30 -0.886 -12.575 6.339 1.00 0.00 N ATOM 437 CA LYS A 30 -2.270 -12.257 6.675 1.00 0.00 C ATOM 438 C LYS A 30 -3.040 -11.796 5.449 1.00 0.00 C ATOM 439 O LYS A 30 -2.612 -10.879 4.747 1.00 0.00 O ATOM 440 CB LYS A 30 -2.334 -11.158 7.737 1.00 0.00 C ATOM 441 CG LYS A 30 -0.969 -10.667 8.190 1.00 0.00 C ATOM 442 CD LYS A 30 -0.993 -10.213 9.639 1.00 0.00 C ATOM 443 CE LYS A 30 -1.857 -11.126 10.496 1.00 0.00 C ATOM 444 NZ LYS A 30 -3.270 -10.666 10.547 1.00 0.00 N ATOM 0 H LYS A 30 -0.268 -11.766 6.277 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.723 -13.169 7.064 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -2.901 -10.315 7.341 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.881 -11.532 8.602 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.236 -11.465 8.070 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.649 -9.841 7.554 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.023 -10.197 10.033 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.373 -9.193 9.695 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.820 -12.140 10.098 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.451 -11.166 11.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.598 -10.659 11.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.337 -9.706 10.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.865 -11.311 9.989 1.00 0.00 H new ATOM 458 N GLU A 31 -4.187 -12.415 5.205 1.00 0.00 N ATOM 459 CA GLU A 31 -5.012 -12.032 4.072 1.00 0.00 C ATOM 460 C GLU A 31 -5.619 -10.660 4.333 1.00 0.00 C ATOM 461 O GLU A 31 -6.284 -10.453 5.347 1.00 0.00 O ATOM 462 CB GLU A 31 -6.121 -13.061 3.847 1.00 0.00 C ATOM 463 CG GLU A 31 -7.041 -12.720 2.685 1.00 0.00 C ATOM 464 CD GLU A 31 -8.504 -12.723 3.079 1.00 0.00 C ATOM 465 OE1 GLU A 31 -8.859 -13.440 4.038 1.00 0.00 O ATOM 466 OE2 GLU A 31 -9.295 -12.010 2.428 1.00 0.00 O ATOM 0 H GLU A 31 -4.563 -13.176 5.771 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.393 -11.993 3.176 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.669 -14.037 3.668 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.715 -13.147 4.757 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.776 -11.738 2.293 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.884 -13.438 1.880 1.00 0.00 H new ATOM 473 N GLY A 32 -5.383 -9.722 3.426 1.00 0.00 N ATOM 474 CA GLY A 32 -5.913 -8.396 3.605 1.00 0.00 C ATOM 475 C GLY A 32 -4.956 -7.490 4.343 1.00 0.00 C ATOM 476 O GLY A 32 -5.332 -6.392 4.752 1.00 0.00 O ATOM 0 H GLY A 32 -4.837 -9.859 2.576 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.141 -7.964 2.631 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.852 -8.454 4.155 1.00 0.00 H new ATOM 480 N ALA A 33 -3.713 -7.926 4.521 1.00 0.00 N ATOM 481 CA ALA A 33 -2.749 -7.090 5.230 1.00 0.00 C ATOM 482 C ALA A 33 -2.229 -6.003 4.304 1.00 0.00 C ATOM 483 O ALA A 33 -1.598 -6.297 3.290 1.00 0.00 O ATOM 484 CB ALA A 33 -1.600 -7.942 5.751 1.00 0.00 C ATOM 0 H ALA A 33 -3.356 -8.825 4.196 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.242 -6.619 6.080 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.887 -7.308 6.278 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -1.988 -8.698 6.434 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.101 -8.431 4.914 1.00 0.00 H new ATOM 490 N PHE A 34 -2.497 -4.741 4.640 1.00 0.00 N ATOM 491 CA PHE A 34 -2.039 -3.649 3.801 1.00 0.00 C ATOM 492 C PHE A 34 -1.230 -2.584 4.534 1.00 0.00 C ATOM 493 O PHE A 34 -1.299 -2.439 5.756 1.00 0.00 O ATOM 494 CB PHE A 34 -3.208 -3.011 3.050 1.00 0.00 C ATOM 495 CG PHE A 34 -4.346 -2.557 3.919 1.00 0.00 C ATOM 496 CD1 PHE A 34 -4.162 -1.580 4.881 1.00 0.00 C ATOM 497 CD2 PHE A 34 -5.610 -3.089 3.748 1.00 0.00 C ATOM 498 CE1 PHE A 34 -5.217 -1.147 5.657 1.00 0.00 C ATOM 499 CE2 PHE A 34 -6.664 -2.662 4.524 1.00 0.00 C ATOM 500 CZ PHE A 34 -6.469 -1.689 5.480 1.00 0.00 C ATOM 0 H PHE A 34 -3.018 -4.459 5.470 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.350 -4.104 3.090 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.836 -2.155 2.488 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.589 -3.729 2.323 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.181 -1.151 5.026 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -5.773 -3.848 2.997 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.060 -0.382 6.404 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -7.645 -3.090 4.383 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.296 -1.353 6.088 1.00 0.00 H new ATOM 510 N MET A 35 -0.498 -1.818 3.734 1.00 0.00 N ATOM 511 CA MET A 35 0.323 -0.704 4.201 1.00 0.00 C ATOM 512 C MET A 35 0.585 0.218 3.014 1.00 0.00 C ATOM 513 O MET A 35 0.886 -0.259 1.922 1.00 0.00 O ATOM 514 CB MET A 35 1.641 -1.196 4.804 1.00 0.00 C ATOM 515 CG MET A 35 2.422 -2.120 3.892 1.00 0.00 C ATOM 516 SD MET A 35 2.700 -3.740 4.629 1.00 0.00 S ATOM 517 CE MET A 35 1.078 -4.080 5.307 1.00 0.00 C ATOM 0 H MET A 35 -0.457 -1.955 2.724 1.00 0.00 H new ATOM 0 HA MET A 35 -0.204 -0.167 4.989 1.00 0.00 H new ATOM 0 HB2 MET A 35 2.261 -0.334 5.051 1.00 0.00 H new ATOM 0 HB3 MET A 35 1.431 -1.715 5.739 1.00 0.00 H new ATOM 0 HG2 MET A 35 1.883 -2.239 2.952 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.382 -1.663 3.653 1.00 0.00 H new ATOM 0 HE1 MET A 35 1.076 -5.068 5.768 1.00 0.00 H new ATOM 0 HE2 MET A 35 0.833 -3.329 6.058 1.00 0.00 H new ATOM 0 HE3 MET A 35 0.336 -4.051 4.509 1.00 0.00 H new ATOM 527 N VAL A 36 0.449 1.526 3.200 1.00 0.00 N ATOM 528 CA VAL A 36 0.648 2.449 2.097 1.00 0.00 C ATOM 529 C VAL A 36 1.864 3.330 2.318 1.00 0.00 C ATOM 530 O VAL A 36 2.023 3.926 3.378 1.00 0.00 O ATOM 531 CB VAL A 36 -0.596 3.331 1.884 1.00 0.00 C ATOM 532 CG1 VAL A 36 -1.859 2.532 2.173 1.00 0.00 C ATOM 533 CG2 VAL A 36 -0.528 4.574 2.759 1.00 0.00 C ATOM 0 H VAL A 36 0.206 1.963 4.089 1.00 0.00 H new ATOM 0 HA VAL A 36 0.815 1.847 1.204 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.622 3.655 0.843 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.733 3.165 2.019 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.909 1.675 1.501 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.841 2.183 3.206 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.416 5.184 2.594 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.480 4.279 3.807 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.361 5.151 2.504 1.00 0.00 H new ATOM 543 N ARG A 37 2.721 3.406 1.309 1.00 0.00 N ATOM 544 CA ARG A 37 3.923 4.215 1.402 1.00 0.00 C ATOM 545 C ARG A 37 4.001 5.236 0.278 1.00 0.00 C ATOM 546 O ARG A 37 3.427 5.045 -0.793 1.00 0.00 O ATOM 547 CB ARG A 37 5.174 3.339 1.392 1.00 0.00 C ATOM 548 CG ARG A 37 6.466 4.134 1.517 1.00 0.00 C ATOM 549 CD ARG A 37 7.001 4.553 0.157 1.00 0.00 C ATOM 550 NE ARG A 37 8.101 5.504 0.274 1.00 0.00 N ATOM 551 CZ ARG A 37 9.368 5.148 0.463 1.00 0.00 C ATOM 552 NH1 ARG A 37 9.690 3.867 0.558 1.00 0.00 N ATOM 553 NH2 ARG A 37 10.313 6.074 0.558 1.00 0.00 N ATOM 0 H ARG A 37 2.605 2.918 0.421 1.00 0.00 H new ATOM 0 HA ARG A 37 3.873 4.752 2.349 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.115 2.624 2.212 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.198 2.762 0.467 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.291 5.020 2.128 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.215 3.533 2.033 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.340 3.671 -0.387 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.196 4.999 -0.428 1.00 0.00 H new ATOM 0 HE ARG A 37 7.886 6.499 0.207 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.966 3.152 0.486 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.662 3.595 0.703 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.068 7.062 0.486 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.284 5.798 0.703 1.00 0.00 H new ATOM 567 N ASP A 38 4.728 6.318 0.533 1.00 0.00 N ATOM 568 CA ASP A 38 4.896 7.369 -0.460 1.00 0.00 C ATOM 569 C ASP A 38 6.031 7.029 -1.420 1.00 0.00 C ATOM 570 O ASP A 38 7.202 7.045 -1.044 1.00 0.00 O ATOM 571 CB ASP A 38 5.171 8.710 0.223 1.00 0.00 C ATOM 572 CG ASP A 38 5.925 9.671 -0.674 1.00 0.00 C ATOM 573 OD1 ASP A 38 5.478 9.889 -1.820 1.00 0.00 O ATOM 574 OD2 ASP A 38 6.962 10.208 -0.231 1.00 0.00 O ATOM 0 H ASP A 38 5.209 6.489 1.416 1.00 0.00 H new ATOM 0 HA ASP A 38 3.971 7.447 -1.031 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.226 9.163 0.523 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.746 8.540 1.133 1.00 0.00 H new ATOM 663 N TYR A 45 1.572 8.419 -2.517 1.00 0.00 N ATOM 664 CA TYR A 45 1.075 7.519 -1.487 1.00 0.00 C ATOM 665 C TYR A 45 0.571 6.225 -2.116 1.00 0.00 C ATOM 666 O TYR A 45 -0.380 6.240 -2.894 1.00 0.00 O ATOM 667 CB TYR A 45 -0.022 8.185 -0.660 1.00 0.00 C ATOM 668 CG TYR A 45 0.477 9.373 0.125 1.00 0.00 C ATOM 669 CD1 TYR A 45 1.760 9.379 0.654 1.00 0.00 C ATOM 670 CD2 TYR A 45 -0.326 10.485 0.332 1.00 0.00 C ATOM 671 CE1 TYR A 45 2.230 10.461 1.370 1.00 0.00 C ATOM 672 CE2 TYR A 45 0.136 11.573 1.046 1.00 0.00 C ATOM 673 CZ TYR A 45 1.416 11.557 1.564 1.00 0.00 C ATOM 674 OH TYR A 45 1.881 12.638 2.275 1.00 0.00 O ATOM 0 HA TYR A 45 1.898 7.280 -0.814 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.826 8.505 -1.322 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.447 7.454 0.027 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.401 8.523 0.503 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.328 10.500 -0.071 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.231 10.449 1.776 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -0.501 12.432 1.199 1.00 0.00 H new ATOM 0 HH TYR A 45 1.184 13.325 2.319 1.00 0.00 H new ATOM 684 N THR A 46 1.215 5.110 -1.786 1.00 0.00 N ATOM 685 CA THR A 46 0.820 3.820 -2.340 1.00 0.00 C ATOM 686 C THR A 46 0.463 2.828 -1.242 1.00 0.00 C ATOM 687 O THR A 46 1.141 2.752 -0.216 1.00 0.00 O ATOM 688 CB THR A 46 1.936 3.248 -3.212 1.00 0.00 C ATOM 689 OG1 THR A 46 2.160 4.070 -4.345 1.00 0.00 O ATOM 690 CG2 THR A 46 1.644 1.850 -3.707 1.00 0.00 C ATOM 0 H THR A 46 2.006 5.073 -1.143 1.00 0.00 H new ATOM 0 HA THR A 46 -0.066 3.984 -2.953 1.00 0.00 H new ATOM 0 HB THR A 46 2.818 3.214 -2.572 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.977 3.781 -4.802 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.474 1.500 -4.320 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.515 1.182 -2.855 1.00 0.00 H new ATOM 0 HG23 THR A 46 0.731 1.858 -4.303 1.00 0.00 H new ATOM 698 N VAL A 47 -0.610 2.073 -1.474 1.00 0.00 N ATOM 699 CA VAL A 47 -1.083 1.083 -0.518 1.00 0.00 C ATOM 700 C VAL A 47 -0.580 -0.316 -0.853 1.00 0.00 C ATOM 701 O VAL A 47 -0.601 -0.738 -2.011 1.00 0.00 O ATOM 702 CB VAL A 47 -2.623 1.040 -0.461 1.00 0.00 C ATOM 703 CG1 VAL A 47 -3.093 0.132 0.666 1.00 0.00 C ATOM 704 CG2 VAL A 47 -3.195 2.442 -0.302 1.00 0.00 C ATOM 0 H VAL A 47 -1.170 2.132 -2.325 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.687 1.389 0.450 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.989 0.630 -1.402 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.183 0.115 0.689 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.718 -0.878 0.500 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.715 0.507 1.617 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.283 2.389 -0.264 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.821 2.885 0.621 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.891 3.057 -1.149 1.00 0.00 H new ATOM 714 N SER A 48 -0.155 -1.038 0.174 1.00 0.00 N ATOM 715 CA SER A 48 0.328 -2.402 0.016 1.00 0.00 C ATOM 716 C SER A 48 -0.563 -3.349 0.806 1.00 0.00 C ATOM 717 O SER A 48 -0.496 -3.377 2.033 1.00 0.00 O ATOM 718 CB SER A 48 1.781 -2.524 0.503 1.00 0.00 C ATOM 719 OG SER A 48 2.580 -3.199 -0.451 1.00 0.00 O ATOM 0 H SER A 48 -0.135 -0.697 1.135 1.00 0.00 H new ATOM 0 HA SER A 48 0.297 -2.665 -1.041 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.191 -1.531 0.689 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.807 -3.062 1.451 1.00 0.00 H new ATOM 0 HG SER A 48 2.014 -3.783 -0.997 1.00 0.00 H new ATOM 725 N VAL A 49 -1.399 -4.120 0.106 1.00 0.00 N ATOM 726 CA VAL A 49 -2.298 -5.059 0.764 1.00 0.00 C ATOM 727 C VAL A 49 -1.900 -6.493 0.461 1.00 0.00 C ATOM 728 O VAL A 49 -1.419 -6.800 -0.631 1.00 0.00 O ATOM 729 CB VAL A 49 -3.768 -4.836 0.367 1.00 0.00 C ATOM 730 CG1 VAL A 49 -4.096 -3.351 0.324 1.00 0.00 C ATOM 731 CG2 VAL A 49 -4.068 -5.506 -0.964 1.00 0.00 C ATOM 0 H VAL A 49 -1.469 -4.110 -0.912 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.208 -4.877 1.835 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.404 -5.294 1.125 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.140 -3.217 0.041 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.927 -2.912 1.308 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.456 -2.858 -0.408 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.112 -5.338 -1.229 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.425 -5.084 -1.737 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.882 -6.577 -0.882 1.00 0.00 H new ATOM 741 N PHE A 50 -2.084 -7.366 1.443 1.00 0.00 N ATOM 742 CA PHE A 50 -1.719 -8.764 1.289 1.00 0.00 C ATOM 743 C PHE A 50 -2.880 -9.696 1.611 1.00 0.00 C ATOM 744 O PHE A 50 -3.404 -9.690 2.731 1.00 0.00 O ATOM 745 CB PHE A 50 -0.531 -9.081 2.187 1.00 0.00 C ATOM 746 CG PHE A 50 -0.160 -10.531 2.208 1.00 0.00 C ATOM 747 CD1 PHE A 50 -0.503 -11.368 1.160 1.00 0.00 C ATOM 748 CD2 PHE A 50 0.535 -11.053 3.280 1.00 0.00 C ATOM 749 CE1 PHE A 50 -0.155 -12.705 1.184 1.00 0.00 C ATOM 750 CE2 PHE A 50 0.888 -12.384 3.312 1.00 0.00 C ATOM 751 CZ PHE A 50 0.542 -13.215 2.263 1.00 0.00 C ATOM 0 H PHE A 50 -2.483 -7.129 2.351 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.451 -8.927 0.245 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.329 -8.500 1.854 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.759 -8.759 3.203 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.048 -10.972 0.316 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.806 -10.410 4.104 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.427 -13.350 0.362 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.435 -12.778 4.156 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.815 -14.260 2.286 1.00 0.00 H new ATOM 761 N THR A 51 -3.259 -10.499 0.611 1.00 0.00 N ATOM 762 CA THR A 51 -4.340 -11.465 0.737 1.00 0.00 C ATOM 763 C THR A 51 -3.802 -12.892 0.673 1.00 0.00 C ATOM 764 O THR A 51 -2.902 -13.191 -0.110 1.00 0.00 O ATOM 765 CB THR A 51 -5.377 -11.248 -0.368 1.00 0.00 C ATOM 766 OG1 THR A 51 -6.663 -11.035 0.187 1.00 0.00 O ATOM 767 CG2 THR A 51 -5.479 -12.412 -1.330 1.00 0.00 C ATOM 0 H THR A 51 -2.819 -10.492 -0.309 1.00 0.00 H new ATOM 0 HA THR A 51 -4.816 -11.318 1.706 1.00 0.00 H new ATOM 0 HB THR A 51 -5.034 -10.372 -0.919 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.739 -10.106 0.490 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.232 -12.193 -2.088 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.514 -12.571 -1.812 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.765 -13.311 -0.784 1.00 0.00 H new ATOM 775 N LYS A 52 -4.358 -13.768 1.504 1.00 0.00 N ATOM 776 CA LYS A 52 -3.933 -15.163 1.540 1.00 0.00 C ATOM 777 C LYS A 52 -4.843 -16.033 0.679 1.00 0.00 C ATOM 778 O LYS A 52 -6.027 -15.740 0.517 1.00 0.00 O ATOM 779 CB LYS A 52 -3.929 -15.677 2.981 1.00 0.00 C ATOM 780 CG LYS A 52 -5.288 -16.164 3.456 1.00 0.00 C ATOM 781 CD LYS A 52 -5.301 -17.669 3.661 1.00 0.00 C ATOM 782 CE LYS A 52 -6.294 -18.077 4.739 1.00 0.00 C ATOM 783 NZ LYS A 52 -6.603 -19.533 4.687 1.00 0.00 N ATOM 0 H LYS A 52 -5.103 -13.537 2.161 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.922 -15.220 1.137 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.210 -16.492 3.065 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.586 -14.880 3.641 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.547 -15.666 4.390 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.049 -15.889 2.726 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.557 -18.163 2.724 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.303 -18.008 3.937 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.889 -17.827 5.719 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.215 -17.506 4.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.283 -19.771 5.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.013 -19.768 3.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.729 -20.079 4.827 1.00 0.00 H new ATOM 797 N ALA A 53 -4.280 -17.105 0.130 1.00 0.00 N ATOM 798 CA ALA A 53 -5.034 -18.018 -0.713 1.00 0.00 C ATOM 799 C ALA A 53 -5.355 -19.312 0.026 1.00 0.00 C ATOM 800 O ALA A 53 -4.623 -19.724 0.925 1.00 0.00 O ATOM 801 CB ALA A 53 -4.269 -18.314 -1.993 1.00 0.00 C ATOM 0 H ALA A 53 -3.301 -17.361 0.256 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.976 -17.535 -0.972 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.848 -18.999 -2.613 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.100 -17.386 -2.539 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.310 -18.770 -1.747 1.00 0.00 H new ATOM 885 N PRO A 59 -0.920 -17.538 -1.201 1.00 0.00 N ATOM 886 CA PRO A 59 -1.222 -16.182 -0.737 1.00 0.00 C ATOM 887 C PRO A 59 -1.104 -15.148 -1.850 1.00 0.00 C ATOM 888 O PRO A 59 -0.167 -15.185 -2.648 1.00 0.00 O ATOM 889 CB PRO A 59 -0.163 -15.940 0.337 1.00 0.00 C ATOM 890 CG PRO A 59 0.142 -17.296 0.876 1.00 0.00 C ATOM 891 CD PRO A 59 -0.018 -18.252 -0.278 1.00 0.00 C ATOM 0 HA PRO A 59 -2.246 -16.089 -0.376 1.00 0.00 H new ATOM 0 HB2 PRO A 59 0.727 -15.471 -0.082 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -0.535 -15.277 1.118 1.00 0.00 H new ATOM 0 HG2 PRO A 59 1.154 -17.337 1.278 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.535 -17.552 1.691 1.00 0.00 H new ATOM 0 HD2 PRO A 59 0.940 -18.477 -0.748 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -0.445 -19.201 0.045 1.00 0.00 H new ATOM 899 N CYS A 60 -2.058 -14.223 -1.897 1.00 0.00 N ATOM 900 CA CYS A 60 -2.057 -13.178 -2.909 1.00 0.00 C ATOM 901 C CYS A 60 -1.896 -11.805 -2.267 1.00 0.00 C ATOM 902 O CYS A 60 -2.768 -11.341 -1.534 1.00 0.00 O ATOM 903 CB CYS A 60 -3.351 -13.225 -3.724 1.00 0.00 C ATOM 904 SG CYS A 60 -3.727 -14.853 -4.418 1.00 0.00 S ATOM 0 H CYS A 60 -2.841 -14.178 -1.245 1.00 0.00 H new ATOM 0 HA CYS A 60 -1.212 -13.351 -3.575 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -4.180 -12.912 -3.089 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -3.282 -12.502 -4.537 1.00 0.00 H new ATOM 0 HG CYS A 60 -4.840 -14.793 -5.088 1.00 0.00 H new ATOM 910 N ILE A 61 -0.773 -11.162 -2.556 1.00 0.00 N ATOM 911 CA ILE A 61 -0.477 -9.841 -2.023 1.00 0.00 C ATOM 912 C ILE A 61 -0.523 -8.797 -3.135 1.00 0.00 C ATOM 913 O ILE A 61 -0.041 -9.047 -4.240 1.00 0.00 O ATOM 914 CB ILE A 61 0.906 -9.836 -1.346 1.00 0.00 C ATOM 915 CG1 ILE A 61 1.318 -8.419 -0.953 1.00 0.00 C ATOM 916 CG2 ILE A 61 1.938 -10.465 -2.266 1.00 0.00 C ATOM 917 CD1 ILE A 61 1.952 -8.344 0.421 1.00 0.00 C ATOM 0 H ILE A 61 -0.046 -11.540 -3.163 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.232 -9.590 -1.278 1.00 0.00 H new ATOM 0 HB ILE A 61 0.847 -10.428 -0.433 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.020 -8.033 -1.692 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.441 -7.772 -0.978 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.913 -10.457 -1.779 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.651 -11.493 -2.486 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.992 -9.897 -3.195 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.222 -7.311 0.641 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.244 -8.701 1.169 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.847 -8.966 0.443 1.00 0.00 H new ATOM 929 N LYS A 62 -1.120 -7.637 -2.861 1.00 0.00 N ATOM 930 CA LYS A 62 -1.228 -6.597 -3.882 1.00 0.00 C ATOM 931 C LYS A 62 -1.044 -5.187 -3.317 1.00 0.00 C ATOM 932 O LYS A 62 -1.527 -4.861 -2.229 1.00 0.00 O ATOM 933 CB LYS A 62 -2.580 -6.695 -4.587 1.00 0.00 C ATOM 934 CG LYS A 62 -2.684 -5.818 -5.825 1.00 0.00 C ATOM 935 CD LYS A 62 -4.126 -5.424 -6.108 1.00 0.00 C ATOM 936 CE LYS A 62 -4.287 -4.884 -7.519 1.00 0.00 C ATOM 937 NZ LYS A 62 -4.533 -3.415 -7.527 1.00 0.00 N ATOM 0 H LYS A 62 -1.529 -7.397 -1.958 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.419 -6.768 -4.592 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.759 -7.732 -4.870 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.367 -6.416 -3.887 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.080 -4.921 -5.689 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.275 -6.350 -6.684 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.775 -6.289 -5.972 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.446 -4.670 -5.389 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.390 -5.105 -8.097 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.116 -5.394 -8.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.539 -3.232 -7.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.279 -3.015 -6.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.953 -2.970 -8.267 1.00 0.00 H new ATOM 951 N HIS A 63 -0.351 -4.357 -4.091 1.00 0.00 N ATOM 952 CA HIS A 63 -0.097 -2.968 -3.725 1.00 0.00 C ATOM 953 C HIS A 63 -0.688 -2.026 -4.775 1.00 0.00 C ATOM 954 O HIS A 63 -0.850 -2.407 -5.935 1.00 0.00 O ATOM 955 CB HIS A 63 1.407 -2.718 -3.586 1.00 0.00 C ATOM 956 CG HIS A 63 2.238 -3.961 -3.693 1.00 0.00 C ATOM 957 ND1 HIS A 63 3.140 -4.485 -2.825 1.00 0.00 N flip ATOM 958 CD2 HIS A 63 2.207 -4.818 -4.770 1.00 0.00 C flip ATOM 959 CE1 HIS A 63 3.662 -5.659 -3.362 1.00 0.00 C flip ATOM 960 NE2 HIS A 63 3.069 -5.815 -4.529 1.00 0.00 N flip ATOM 0 H HIS A 63 0.050 -4.628 -4.989 1.00 0.00 H new ATOM 0 HA HIS A 63 -0.575 -2.772 -2.765 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.722 -2.014 -4.356 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.600 -2.245 -2.623 1.00 0.00 H new ATOM 0 HD1 HIS A 63 3.395 -4.083 -1.923 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.596 -4.706 -5.653 1.00 0.00 H new ATOM 0 HE1 HIS A 63 4.400 -6.308 -2.915 1.00 0.00 H new ATOM 968 N TYR A 64 -0.995 -0.794 -4.377 1.00 0.00 N ATOM 969 CA TYR A 64 -1.545 0.192 -5.305 1.00 0.00 C ATOM 970 C TYR A 64 -1.214 1.608 -4.857 1.00 0.00 C ATOM 971 O TYR A 64 -1.360 1.949 -3.683 1.00 0.00 O ATOM 972 CB TYR A 64 -3.063 0.053 -5.454 1.00 0.00 C ATOM 973 CG TYR A 64 -3.713 -0.871 -4.455 1.00 0.00 C ATOM 974 CD1 TYR A 64 -3.573 -2.246 -4.564 1.00 0.00 C ATOM 975 CD2 TYR A 64 -4.477 -0.367 -3.410 1.00 0.00 C ATOM 976 CE1 TYR A 64 -4.178 -3.096 -3.659 1.00 0.00 C ATOM 977 CE2 TYR A 64 -5.082 -1.209 -2.500 1.00 0.00 C ATOM 978 CZ TYR A 64 -4.931 -2.574 -2.627 1.00 0.00 C ATOM 979 OH TYR A 64 -5.538 -3.418 -1.727 1.00 0.00 O ATOM 0 H TYR A 64 -0.873 -0.455 -3.423 1.00 0.00 H new ATOM 0 HA TYR A 64 -1.083 -0.000 -6.273 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -3.515 1.041 -5.363 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -3.284 -0.307 -6.459 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -2.982 -2.659 -5.368 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.599 0.701 -3.308 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -4.062 -4.165 -3.759 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -5.671 -0.801 -1.692 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.050 -4.099 -2.211 1.00 0.00 H new ATOM 989 N HIS A 65 -0.778 2.432 -5.801 1.00 0.00 N ATOM 990 CA HIS A 65 -0.439 3.814 -5.504 1.00 0.00 C ATOM 991 C HIS A 65 -1.699 4.666 -5.430 1.00 0.00 C ATOM 992 O HIS A 65 -2.499 4.683 -6.364 1.00 0.00 O ATOM 993 CB HIS A 65 0.496 4.381 -6.572 1.00 0.00 C ATOM 994 CG HIS A 65 0.336 5.856 -6.750 1.00 0.00 C ATOM 995 ND1 HIS A 65 0.140 6.823 -5.822 1.00 0.00 N flip ATOM 996 CD2 HIS A 65 0.343 6.494 -7.970 1.00 0.00 C flip ATOM 997 CE1 HIS A 65 0.025 8.054 -6.459 1.00 0.00 C flip ATOM 998 NE2 HIS A 65 0.155 7.803 -7.748 1.00 0.00 N flip ATOM 0 H HIS A 65 -0.651 2.166 -6.778 1.00 0.00 H new ATOM 0 HA HIS A 65 0.068 3.837 -4.539 1.00 0.00 H new ATOM 0 HB2 HIS A 65 1.528 4.161 -6.300 1.00 0.00 H new ATOM 0 HB3 HIS A 65 0.303 3.881 -7.521 1.00 0.00 H new ATOM 0 HD1 HIS A 65 0.085 6.672 -4.815 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.476 6.024 -8.933 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -0.137 9.016 -5.995 1.00 0.00 H new ATOM 1006 N ILE A 66 -1.872 5.378 -4.322 1.00 0.00 N ATOM 1007 CA ILE A 66 -3.038 6.232 -4.154 1.00 0.00 C ATOM 1008 C ILE A 66 -3.001 7.381 -5.149 1.00 0.00 C ATOM 1009 O ILE A 66 -2.127 8.247 -5.084 1.00 0.00 O ATOM 1010 CB ILE A 66 -3.135 6.796 -2.722 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -2.729 5.726 -1.707 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -4.546 7.292 -2.444 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -3.771 4.644 -1.525 1.00 0.00 C ATOM 0 H ILE A 66 -1.225 5.380 -3.534 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.918 5.615 -4.337 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.451 7.640 -2.628 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.793 5.268 -2.027 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.538 6.202 -0.745 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.599 7.687 -1.430 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.802 8.079 -3.154 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.249 6.466 -2.549 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.418 3.919 -0.792 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.702 5.090 -1.175 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.945 4.142 -2.477 1.00 0.00 H new ATOM 1025 N LYS A 67 -3.946 7.374 -6.078 1.00 0.00 N ATOM 1026 CA LYS A 67 -4.017 8.406 -7.101 1.00 0.00 C ATOM 1027 C LYS A 67 -4.861 9.585 -6.632 1.00 0.00 C ATOM 1028 O LYS A 67 -5.904 9.405 -6.000 1.00 0.00 O ATOM 1029 CB LYS A 67 -4.601 7.832 -8.391 1.00 0.00 C ATOM 1030 CG LYS A 67 -3.926 6.550 -8.850 1.00 0.00 C ATOM 1031 CD LYS A 67 -4.658 5.927 -10.027 1.00 0.00 C ATOM 1032 CE LYS A 67 -4.198 4.499 -10.278 1.00 0.00 C ATOM 1033 NZ LYS A 67 -5.256 3.683 -10.937 1.00 0.00 N ATOM 0 H LYS A 67 -4.675 6.664 -6.144 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.004 8.761 -7.291 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.664 7.640 -8.244 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.518 8.579 -9.181 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.895 6.761 -9.132 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.892 5.840 -8.024 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.731 5.936 -9.835 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.489 6.527 -10.921 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.305 4.510 -10.903 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.919 4.036 -9.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.904 2.717 -11.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.099 3.651 -10.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.505 4.111 -11.852 1.00 0.00 H new ATOM 1047 N GLU A 68 -4.400 10.789 -6.954 1.00 0.00 N ATOM 1048 CA GLU A 68 -5.106 12.007 -6.580 1.00 0.00 C ATOM 1049 C GLU A 68 -5.715 12.673 -7.808 1.00 0.00 C ATOM 1050 O GLU A 68 -5.210 12.517 -8.921 1.00 0.00 O ATOM 1051 CB GLU A 68 -4.158 12.975 -5.868 1.00 0.00 C ATOM 1052 CG GLU A 68 -3.552 12.405 -4.595 1.00 0.00 C ATOM 1053 CD GLU A 68 -2.311 13.156 -4.156 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -1.566 13.640 -5.035 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -2.080 13.259 -2.932 1.00 0.00 O ATOM 0 H GLU A 68 -3.537 10.947 -7.475 1.00 0.00 H new ATOM 0 HA GLU A 68 -5.912 11.740 -5.896 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.355 13.252 -6.551 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.700 13.889 -5.625 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.294 12.438 -3.797 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.301 11.356 -4.754 1.00 0.00 H new ATOM 1062 N THR A 69 -6.801 13.413 -7.608 1.00 0.00 N ATOM 1063 CA THR A 69 -7.463 14.087 -8.710 1.00 0.00 C ATOM 1064 C THR A 69 -7.251 15.601 -8.651 1.00 0.00 C ATOM 1065 O THR A 69 -6.116 16.072 -8.736 1.00 0.00 O ATOM 1066 CB THR A 69 -8.950 13.728 -8.742 1.00 0.00 C ATOM 1067 OG1 THR A 69 -9.764 14.871 -8.566 1.00 0.00 O ATOM 1068 CG2 THR A 69 -9.334 12.721 -7.683 1.00 0.00 C ATOM 0 H THR A 69 -7.236 13.558 -6.697 1.00 0.00 H new ATOM 0 HA THR A 69 -7.012 13.739 -9.639 1.00 0.00 H new ATOM 0 HB THR A 69 -9.115 13.290 -9.726 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.384 14.951 -9.321 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.400 12.506 -7.755 1.00 0.00 H new ATOM 0 HG22 THR A 69 -8.767 11.802 -7.832 1.00 0.00 H new ATOM 0 HG23 THR A 69 -9.112 13.128 -6.696 1.00 0.00 H new ATOM 1149 N ARG A 75 -9.009 14.180 -3.611 1.00 0.00 N ATOM 1150 CA ARG A 75 -8.102 13.732 -4.661 1.00 0.00 C ATOM 1151 C ARG A 75 -7.375 12.429 -4.322 1.00 0.00 C ATOM 1152 O ARG A 75 -6.159 12.352 -4.482 1.00 0.00 O ATOM 1153 CB ARG A 75 -7.048 14.786 -4.921 1.00 0.00 C ATOM 1154 CG ARG A 75 -7.569 16.055 -5.572 1.00 0.00 C ATOM 1155 CD ARG A 75 -9.079 16.163 -5.469 1.00 0.00 C ATOM 1156 NE ARG A 75 -9.758 15.297 -6.424 1.00 0.00 N ATOM 1157 CZ ARG A 75 -11.080 15.157 -6.479 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -11.849 15.788 -5.606 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -11.633 14.383 -7.402 1.00 0.00 N ATOM 0 HA ARG A 75 -8.727 13.559 -5.537 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.573 15.047 -3.975 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -6.274 14.358 -5.558 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -7.110 16.922 -5.097 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -7.274 16.073 -6.621 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -9.392 15.903 -4.458 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -9.380 17.196 -5.640 1.00 0.00 H new ATOM 0 HE ARG A 75 -9.189 14.770 -7.086 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -11.428 16.382 -4.891 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -12.862 15.681 -5.648 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -11.045 13.891 -8.075 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -12.647 14.279 -7.440 1.00 0.00 H new ATOM 1173 N TYR A 76 -8.082 11.418 -3.838 1.00 0.00 N ATOM 1174 CA TYR A 76 -7.429 10.170 -3.489 1.00 0.00 C ATOM 1175 C TYR A 76 -8.145 8.968 -4.066 1.00 0.00 C ATOM 1176 O TYR A 76 -9.332 8.760 -3.825 1.00 0.00 O ATOM 1177 CB TYR A 76 -7.357 10.044 -1.983 1.00 0.00 C ATOM 1178 CG TYR A 76 -6.735 11.247 -1.352 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -7.152 12.521 -1.685 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -5.721 11.101 -0.442 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -6.570 13.628 -1.118 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -5.120 12.193 0.139 1.00 0.00 C ATOM 1183 CZ TYR A 76 -5.547 13.465 -0.200 1.00 0.00 C ATOM 1184 OH TYR A 76 -4.956 14.567 0.372 1.00 0.00 O ATOM 0 H TYR A 76 -9.090 11.437 -3.681 1.00 0.00 H new ATOM 0 HA TYR A 76 -6.427 10.190 -3.917 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -8.361 9.902 -1.582 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -6.780 9.157 -1.720 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -7.949 12.649 -2.403 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -5.387 10.109 -0.176 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -6.908 14.618 -1.386 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -4.322 12.059 0.854 1.00 0.00 H new ATOM 0 HH TYR A 76 -4.257 14.277 0.995 1.00 0.00 H new ATOM 1194 N TYR A 77 -7.403 8.162 -4.807 1.00 0.00 N ATOM 1195 CA TYR A 77 -7.972 6.959 -5.392 1.00 0.00 C ATOM 1196 C TYR A 77 -6.917 5.926 -5.750 1.00 0.00 C ATOM 1197 O TYR A 77 -5.901 6.242 -6.368 1.00 0.00 O ATOM 1198 CB TYR A 77 -8.783 7.292 -6.645 1.00 0.00 C ATOM 1199 CG TYR A 77 -7.974 7.909 -7.767 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -7.561 9.233 -7.702 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -7.634 7.171 -8.899 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -6.831 9.805 -8.726 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -6.906 7.738 -9.927 1.00 0.00 C ATOM 1204 CZ TYR A 77 -6.507 9.055 -9.837 1.00 0.00 C ATOM 1205 OH TYR A 77 -5.783 9.623 -10.859 1.00 0.00 O ATOM 0 H TYR A 77 -6.417 8.316 -5.016 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.622 6.531 -4.629 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.254 6.380 -7.012 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -9.586 7.977 -6.372 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.815 9.826 -6.836 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -7.945 6.139 -8.974 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.515 10.836 -8.657 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.650 7.152 -10.798 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.639 8.960 -11.566 1.00 0.00 H new ATOM 1215 N VAL A 78 -7.218 4.673 -5.437 1.00 0.00 N ATOM 1216 CA VAL A 78 -6.351 3.572 -5.808 1.00 0.00 C ATOM 1217 C VAL A 78 -7.163 2.680 -6.722 1.00 0.00 C ATOM 1218 O VAL A 78 -7.300 1.475 -6.517 1.00 0.00 O ATOM 1219 CB VAL A 78 -5.865 2.773 -4.587 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -4.623 3.412 -3.992 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -6.972 2.675 -3.554 1.00 0.00 C ATOM 0 H VAL A 78 -8.057 4.397 -4.927 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.455 3.955 -6.296 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.603 1.765 -4.908 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.294 2.833 -3.129 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.830 3.432 -4.740 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.852 4.431 -3.679 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.618 2.107 -2.694 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.261 3.676 -3.234 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.834 2.171 -3.991 1.00 0.00 H new ATOM 1231 N ALA A 79 -7.713 3.342 -7.727 1.00 0.00 N ATOM 1232 CA ALA A 79 -8.560 2.732 -8.735 1.00 0.00 C ATOM 1233 C ALA A 79 -9.076 3.828 -9.658 1.00 0.00 C ATOM 1234 O ALA A 79 -9.032 5.002 -9.302 1.00 0.00 O ATOM 1235 CB ALA A 79 -9.705 1.970 -8.091 1.00 0.00 C ATOM 0 H ALA A 79 -7.578 4.343 -7.866 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.984 2.010 -9.315 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.326 1.522 -8.867 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.304 1.186 -7.449 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.308 2.655 -7.495 1.00 0.00 H new ATOM 1241 N GLU A 80 -9.550 3.471 -10.836 1.00 0.00 N ATOM 1242 CA GLU A 80 -10.039 4.473 -11.770 1.00 0.00 C ATOM 1243 C GLU A 80 -11.524 4.739 -11.602 1.00 0.00 C ATOM 1244 O GLU A 80 -12.325 4.505 -12.507 1.00 0.00 O ATOM 1245 CB GLU A 80 -9.725 4.072 -13.210 1.00 0.00 C ATOM 1246 CG GLU A 80 -8.707 2.948 -13.322 1.00 0.00 C ATOM 1247 CD GLU A 80 -9.303 1.588 -13.016 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -10.473 1.537 -12.581 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -8.602 0.575 -13.214 1.00 0.00 O ATOM 0 H GLU A 80 -9.608 2.508 -11.168 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.516 5.402 -11.543 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -10.648 3.765 -13.702 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.352 4.944 -13.748 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.290 2.939 -14.329 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.881 3.141 -12.637 1.00 0.00 H new ATOM 1256 N LYS A 81 -11.868 5.262 -10.439 1.00 0.00 N ATOM 1257 CA LYS A 81 -13.246 5.611 -10.125 1.00 0.00 C ATOM 1258 C LYS A 81 -13.418 5.874 -8.630 1.00 0.00 C ATOM 1259 O LYS A 81 -14.396 6.488 -8.207 1.00 0.00 O ATOM 1260 CB LYS A 81 -14.205 4.515 -10.604 1.00 0.00 C ATOM 1261 CG LYS A 81 -13.891 3.134 -10.058 1.00 0.00 C ATOM 1262 CD LYS A 81 -14.808 2.788 -8.904 1.00 0.00 C ATOM 1263 CE LYS A 81 -14.706 3.826 -7.804 1.00 0.00 C ATOM 1264 NZ LYS A 81 -15.337 3.365 -6.536 1.00 0.00 N ATOM 0 H LYS A 81 -11.206 5.457 -9.688 1.00 0.00 H new ATOM 0 HA LYS A 81 -13.491 6.531 -10.655 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -15.221 4.785 -10.316 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -14.181 4.477 -11.693 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -14.000 2.392 -10.849 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.853 3.097 -9.727 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -15.837 2.727 -9.258 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.548 1.806 -8.509 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.657 4.059 -7.622 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -15.185 4.749 -8.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -15.673 4.188 -5.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -16.141 2.742 -6.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -14.638 2.842 -5.970 1.00 0.00 H new ATOM 1278 N TYR A 82 -12.452 5.416 -7.832 1.00 0.00 N ATOM 1279 CA TYR A 82 -12.492 5.615 -6.384 1.00 0.00 C ATOM 1280 C TYR A 82 -11.641 6.817 -5.979 1.00 0.00 C ATOM 1281 O TYR A 82 -10.546 6.654 -5.445 1.00 0.00 O ATOM 1282 CB TYR A 82 -11.986 4.371 -5.644 1.00 0.00 C ATOM 1283 CG TYR A 82 -12.463 3.053 -6.216 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -12.092 2.649 -7.491 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -13.275 2.208 -5.470 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -12.520 1.441 -8.009 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -13.705 0.997 -5.980 1.00 0.00 C ATOM 1288 CZ TYR A 82 -13.324 0.619 -7.250 1.00 0.00 C ATOM 1289 OH TYR A 82 -13.750 -0.586 -7.761 1.00 0.00 O ATOM 0 H TYR A 82 -11.634 4.906 -8.164 1.00 0.00 H new ATOM 0 HA TYR A 82 -13.531 5.797 -6.108 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -10.896 4.380 -5.650 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.299 4.433 -4.602 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -11.459 3.289 -8.088 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.575 2.502 -4.475 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -12.225 1.143 -9.004 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -14.336 0.351 -5.387 1.00 0.00 H new ATOM 0 HH TYR A 82 -14.308 -1.044 -7.098 1.00 0.00 H new ATOM 1299 N VAL A 83 -12.156 8.020 -6.220 1.00 0.00 N ATOM 1300 CA VAL A 83 -11.452 9.243 -5.877 1.00 0.00 C ATOM 1301 C VAL A 83 -12.002 9.804 -4.581 1.00 0.00 C ATOM 1302 O VAL A 83 -13.211 9.965 -4.430 1.00 0.00 O ATOM 1303 CB VAL A 83 -11.589 10.291 -6.993 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -11.334 11.686 -6.448 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -10.640 9.967 -8.141 1.00 0.00 C ATOM 0 H VAL A 83 -13.066 8.169 -6.655 1.00 0.00 H new ATOM 0 HA VAL A 83 -10.395 9.006 -5.756 1.00 0.00 H new ATOM 0 HB VAL A 83 -12.609 10.263 -7.377 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -11.435 12.415 -7.252 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -12.058 11.908 -5.664 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -10.326 11.737 -6.037 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -10.747 10.717 -8.925 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.613 9.968 -7.776 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -10.880 8.983 -8.545 1.00 0.00 H new ATOM 1315 N PHE A 84 -11.117 10.083 -3.637 1.00 0.00 N ATOM 1316 CA PHE A 84 -11.551 10.602 -2.351 1.00 0.00 C ATOM 1317 C PHE A 84 -10.519 11.542 -1.745 1.00 0.00 C ATOM 1318 O PHE A 84 -9.358 11.533 -2.137 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.844 9.452 -1.389 1.00 0.00 C ATOM 1320 CG PHE A 84 -12.380 8.225 -2.070 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -11.536 7.398 -2.792 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -13.724 7.901 -1.989 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -12.024 6.268 -3.420 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -14.217 6.773 -2.616 1.00 0.00 C ATOM 1325 CZ PHE A 84 -13.366 5.955 -3.332 1.00 0.00 C ATOM 0 H PHE A 84 -10.109 9.961 -3.734 1.00 0.00 H new ATOM 0 HA PHE A 84 -12.464 11.174 -2.517 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.929 9.192 -0.856 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -12.564 9.787 -0.642 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -10.486 7.639 -2.865 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -14.394 8.537 -1.430 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -11.356 5.630 -3.979 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -15.267 6.531 -2.546 1.00 0.00 H new ATOM 0 HZ PHE A 84 -13.749 5.072 -3.822 1.00 0.00 H new ATOM 1335 N ASP A 85 -10.954 12.345 -0.783 1.00 0.00 N ATOM 1336 CA ASP A 85 -10.078 13.286 -0.106 1.00 0.00 C ATOM 1337 C ASP A 85 -9.264 12.603 0.989 1.00 0.00 C ATOM 1338 O ASP A 85 -8.403 13.224 1.613 1.00 0.00 O ATOM 1339 CB ASP A 85 -10.897 14.428 0.493 1.00 0.00 C ATOM 1340 CG ASP A 85 -11.086 14.280 1.991 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -10.069 14.193 2.712 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -12.250 14.249 2.441 1.00 0.00 O ATOM 0 H ASP A 85 -11.919 12.361 -0.453 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.383 13.685 -0.845 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.401 15.376 0.284 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.873 14.465 0.008 1.00 0.00 H new ATOM 1347 N SER A 86 -9.552 11.328 1.234 1.00 0.00 N ATOM 1348 CA SER A 86 -8.857 10.580 2.268 1.00 0.00 C ATOM 1349 C SER A 86 -8.370 9.228 1.758 1.00 0.00 C ATOM 1350 O SER A 86 -9.170 8.363 1.379 1.00 0.00 O ATOM 1351 CB SER A 86 -9.771 10.380 3.478 1.00 0.00 C ATOM 1352 OG SER A 86 -9.530 11.363 4.469 1.00 0.00 O ATOM 0 H SER A 86 -10.261 10.795 0.730 1.00 0.00 H new ATOM 0 HA SER A 86 -7.983 11.161 2.563 1.00 0.00 H new ATOM 0 HB2 SER A 86 -10.813 10.426 3.162 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.610 9.388 3.899 1.00 0.00 H new ATOM 0 HG SER A 86 -10.128 11.213 5.231 1.00 0.00 H new ATOM 1358 N ILE A 87 -7.053 9.039 1.778 1.00 0.00 N ATOM 1359 CA ILE A 87 -6.469 7.783 1.345 1.00 0.00 C ATOM 1360 C ILE A 87 -7.040 6.663 2.194 1.00 0.00 C ATOM 1361 O ILE A 87 -7.430 5.602 1.699 1.00 0.00 O ATOM 1362 CB ILE A 87 -4.935 7.794 1.493 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -4.357 9.155 1.108 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.313 6.713 0.634 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -3.968 9.246 -0.355 1.00 0.00 C ATOM 0 H ILE A 87 -6.378 9.738 2.088 1.00 0.00 H new ATOM 0 HA ILE A 87 -6.708 7.635 0.292 1.00 0.00 H new ATOM 0 HB ILE A 87 -4.699 7.600 2.539 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -5.090 9.930 1.331 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -3.481 9.358 1.724 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.229 6.734 0.750 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.692 5.739 0.944 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.569 6.886 -0.411 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -3.565 10.237 -0.563 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -3.213 8.493 -0.578 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -4.847 9.074 -0.977 1.00 0.00 H new ATOM 1377 N PRO A 88 -7.138 6.924 3.499 1.00 0.00 N ATOM 1378 CA PRO A 88 -7.706 5.982 4.453 1.00 0.00 C ATOM 1379 C PRO A 88 -9.172 5.753 4.134 1.00 0.00 C ATOM 1380 O PRO A 88 -9.676 4.630 4.206 1.00 0.00 O ATOM 1381 CB PRO A 88 -7.542 6.685 5.806 1.00 0.00 C ATOM 1382 CG PRO A 88 -6.545 7.770 5.561 1.00 0.00 C ATOM 1383 CD PRO A 88 -6.738 8.181 4.136 1.00 0.00 C ATOM 0 HA PRO A 88 -7.225 5.004 4.436 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -8.490 7.092 6.156 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.191 5.992 6.571 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -6.706 8.610 6.236 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -5.529 7.414 5.732 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -7.504 8.950 4.035 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -5.823 8.584 3.702 1.00 0.00 H new ATOM 1391 N LEU A 89 -9.844 6.833 3.741 1.00 0.00 N ATOM 1392 CA LEU A 89 -11.243 6.756 3.367 1.00 0.00 C ATOM 1393 C LEU A 89 -11.369 5.915 2.118 1.00 0.00 C ATOM 1394 O LEU A 89 -12.145 4.957 2.074 1.00 0.00 O ATOM 1395 CB LEU A 89 -11.813 8.148 3.126 1.00 0.00 C ATOM 1396 CG LEU A 89 -12.994 8.207 2.157 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -12.551 7.816 0.755 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -14.119 7.302 2.635 1.00 0.00 C ATOM 0 H LEU A 89 -9.438 7.767 3.675 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.809 6.298 4.178 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.127 8.566 4.083 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.018 8.788 2.744 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.366 9.231 2.126 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.404 7.863 0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.777 8.503 0.413 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.154 6.801 0.769 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -14.952 7.356 1.934 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.760 6.275 2.693 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.453 7.626 3.621 1.00 0.00 H new ATOM 1410 N LEU A 90 -10.559 6.236 1.115 1.00 0.00 N ATOM 1411 CA LEU A 90 -10.568 5.442 -0.095 1.00 0.00 C ATOM 1412 C LEU A 90 -10.117 4.049 0.297 1.00 0.00 C ATOM 1413 O LEU A 90 -10.650 3.042 -0.180 1.00 0.00 O ATOM 1414 CB LEU A 90 -9.695 6.049 -1.205 1.00 0.00 C ATOM 1415 CG LEU A 90 -8.183 6.036 -0.976 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -7.541 4.825 -1.635 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -7.571 7.312 -1.526 1.00 0.00 C ATOM 0 H LEU A 90 -9.906 7.020 1.118 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.570 5.414 -0.523 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.903 5.514 -2.132 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -10.007 7.082 -1.356 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.998 5.976 0.096 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.466 4.841 -1.456 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.965 3.914 -1.214 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.731 4.851 -2.708 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.494 7.299 -1.361 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -7.774 7.381 -2.595 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -8.006 8.173 -1.018 1.00 0.00 H new ATOM 1429 N ILE A 91 -9.186 4.002 1.255 1.00 0.00 N ATOM 1430 CA ILE A 91 -8.730 2.731 1.784 1.00 0.00 C ATOM 1431 C ILE A 91 -9.948 2.023 2.345 1.00 0.00 C ATOM 1432 O ILE A 91 -10.191 0.849 2.063 1.00 0.00 O ATOM 1433 CB ILE A 91 -7.705 2.906 2.928 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -6.274 2.670 2.447 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -8.030 1.944 4.056 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -6.187 2.006 1.099 1.00 0.00 C ATOM 0 H ILE A 91 -8.744 4.822 1.670 1.00 0.00 H new ATOM 0 HA ILE A 91 -8.243 2.171 0.986 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.773 3.934 3.283 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -5.753 3.626 2.405 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.752 2.054 3.179 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -7.306 2.069 4.861 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.032 2.151 4.433 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -7.986 0.920 3.685 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.140 1.872 0.826 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -6.678 1.034 1.140 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.679 2.630 0.353 1.00 0.00 H new ATOM 1448 N GLN A 92 -10.734 2.773 3.118 1.00 0.00 N ATOM 1449 CA GLN A 92 -11.959 2.244 3.692 1.00 0.00 C ATOM 1450 C GLN A 92 -12.905 1.841 2.574 1.00 0.00 C ATOM 1451 O GLN A 92 -13.535 0.785 2.615 1.00 0.00 O ATOM 1452 CB GLN A 92 -12.623 3.281 4.599 1.00 0.00 C ATOM 1453 CG GLN A 92 -14.129 3.115 4.715 1.00 0.00 C ATOM 1454 CD GLN A 92 -14.818 4.369 5.218 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -15.269 5.207 4.291 1.00 0.00 O flip ATOM 1456 NE2 GLN A 92 -14.944 4.580 6.423 1.00 0.00 N flip ATOM 0 H GLN A 92 -10.540 3.745 3.357 1.00 0.00 H new ATOM 0 HA GLN A 92 -11.719 1.370 4.297 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -12.181 3.217 5.594 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -12.404 4.278 4.217 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -14.537 2.847 3.741 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -14.349 2.289 5.391 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -14.582 3.908 7.099 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -15.411 5.427 6.746 1.00 0.00 H new ATOM 1465 N TYR A 93 -12.984 2.696 1.565 1.00 0.00 N ATOM 1466 CA TYR A 93 -13.838 2.445 0.414 1.00 0.00 C ATOM 1467 C TYR A 93 -13.368 1.207 -0.339 1.00 0.00 C ATOM 1468 O TYR A 93 -14.177 0.440 -0.862 1.00 0.00 O ATOM 1469 CB TYR A 93 -13.846 3.656 -0.521 1.00 0.00 C ATOM 1470 CG TYR A 93 -14.929 3.600 -1.573 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -14.800 2.783 -2.688 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -16.083 4.367 -1.451 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -15.788 2.730 -3.653 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -17.075 4.318 -2.412 1.00 0.00 C ATOM 1475 CZ TYR A 93 -16.923 3.499 -3.509 1.00 0.00 C ATOM 1476 OH TYR A 93 -17.910 3.449 -4.467 1.00 0.00 O ATOM 0 H TYR A 93 -12.465 3.573 1.520 1.00 0.00 H new ATOM 0 HA TYR A 93 -14.853 2.272 0.772 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.973 4.562 0.072 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -12.876 3.731 -1.013 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -13.912 2.179 -2.803 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -16.206 5.010 -0.592 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -15.672 2.090 -4.515 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -17.966 4.919 -2.303 1.00 0.00 H new ATOM 0 HH TYR A 93 -18.642 4.050 -4.214 1.00 0.00 H new ATOM 1486 N HIS A 94 -12.055 1.019 -0.383 1.00 0.00 N ATOM 1487 CA HIS A 94 -11.474 -0.133 -1.070 1.00 0.00 C ATOM 1488 C HIS A 94 -11.568 -1.387 -0.213 1.00 0.00 C ATOM 1489 O HIS A 94 -11.059 -2.441 -0.587 1.00 0.00 O ATOM 1490 CB HIS A 94 -10.014 0.136 -1.435 1.00 0.00 C ATOM 1491 CG HIS A 94 -9.834 1.363 -2.260 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -10.223 1.448 -3.579 1.00 0.00 N ATOM 1493 CD2 HIS A 94 -9.319 2.567 -1.941 1.00 0.00 C ATOM 1494 CE1 HIS A 94 -9.955 2.657 -4.035 1.00 0.00 C ATOM 1495 NE2 HIS A 94 -9.407 3.358 -3.060 1.00 0.00 N ATOM 0 H HIS A 94 -11.373 1.645 0.046 1.00 0.00 H new ATOM 0 HA HIS A 94 -12.045 -0.294 -1.985 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -9.429 0.231 -0.520 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -9.618 -0.722 -1.979 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -10.651 0.695 -4.118 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -8.913 2.856 -0.983 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -10.151 3.012 -5.036 1.00 0.00 H new ATOM 1504 N GLN A 95 -12.221 -1.270 0.937 1.00 0.00 N ATOM 1505 CA GLN A 95 -12.380 -2.404 1.840 1.00 0.00 C ATOM 1506 C GLN A 95 -13.837 -2.578 2.246 1.00 0.00 C ATOM 1507 O GLN A 95 -14.288 -3.689 2.529 1.00 0.00 O ATOM 1508 CB GLN A 95 -11.512 -2.227 3.086 1.00 0.00 C ATOM 1509 CG GLN A 95 -11.426 -0.797 3.584 1.00 0.00 C ATOM 1510 CD GLN A 95 -12.313 -0.555 4.787 1.00 0.00 C ATOM 1511 OE1 GLN A 95 -13.566 -0.221 4.526 1.00 0.00 O flip ATOM 1512 NE2 GLN A 95 -11.875 -0.668 5.932 1.00 0.00 N flip ATOM 0 H GLN A 95 -12.648 -0.404 1.266 1.00 0.00 H new ATOM 0 HA GLN A 95 -12.058 -3.299 1.308 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -11.909 -2.855 3.884 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -10.506 -2.586 2.869 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -10.393 -0.566 3.844 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -11.712 -0.117 2.782 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -10.900 -0.928 6.082 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -12.487 -0.502 6.731 1.00 0.00 H new ATOM 1521 N TYR A 96 -14.566 -1.473 2.270 1.00 0.00 N ATOM 1522 CA TYR A 96 -15.972 -1.490 2.637 1.00 0.00 C ATOM 1523 C TYR A 96 -16.857 -1.271 1.416 1.00 0.00 C ATOM 1524 O TYR A 96 -18.030 -1.646 1.410 1.00 0.00 O ATOM 1525 CB TYR A 96 -16.260 -0.418 3.691 1.00 0.00 C ATOM 1526 CG TYR A 96 -17.623 0.220 3.550 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -18.781 -0.524 3.726 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -17.751 1.569 3.239 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -20.030 0.055 3.598 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -18.995 2.156 3.110 1.00 0.00 C ATOM 1531 CZ TYR A 96 -20.131 1.395 3.290 1.00 0.00 C ATOM 1532 OH TYR A 96 -21.371 1.976 3.160 1.00 0.00 O ATOM 0 H TYR A 96 -14.204 -0.548 2.038 1.00 0.00 H new ATOM 0 HA TYR A 96 -16.200 -2.470 3.055 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -16.178 -0.864 4.682 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -15.497 0.358 3.626 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -18.705 -1.574 3.967 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -16.864 2.168 3.096 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -20.921 -0.539 3.738 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -19.077 3.206 2.869 1.00 0.00 H new ATOM 0 HH TYR A 96 -21.266 2.926 2.942 1.00 0.00 H new ATOM 1542 N ASN A 97 -16.288 -0.658 0.385 1.00 0.00 N ATOM 1543 CA ASN A 97 -17.019 -0.385 -0.842 1.00 0.00 C ATOM 1544 C ASN A 97 -16.587 -1.332 -1.957 1.00 0.00 C ATOM 1545 O ASN A 97 -16.045 -0.901 -2.974 1.00 0.00 O ATOM 1546 CB ASN A 97 -16.804 1.066 -1.276 1.00 0.00 C ATOM 1547 CG ASN A 97 -18.015 1.936 -1.004 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -18.961 1.967 -1.793 1.00 0.00 O ATOM 1549 ND2 ASN A 97 -17.994 2.650 0.115 1.00 0.00 N ATOM 0 H ASN A 97 -15.319 -0.340 0.377 1.00 0.00 H new ATOM 0 HA ASN A 97 -18.079 -0.545 -0.646 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -15.941 1.475 -0.751 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -16.572 1.093 -2.341 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -18.782 3.254 0.349 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -17.190 2.594 0.740 1.00 0.00 H new ATOM 1556 N GLY A 98 -16.833 -2.623 -1.759 1.00 0.00 N ATOM 1557 CA GLY A 98 -16.465 -3.610 -2.758 1.00 0.00 C ATOM 1558 C GLY A 98 -15.443 -3.083 -3.747 1.00 0.00 C ATOM 1559 O GLY A 98 -15.692 -3.059 -4.952 1.00 0.00 O ATOM 0 H GLY A 98 -17.280 -3.003 -0.925 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -16.063 -4.493 -2.261 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -17.358 -3.927 -3.297 1.00 0.00 H new ATOM 1563 N GLY A 99 -14.292 -2.658 -3.236 1.00 0.00 N ATOM 1564 CA GLY A 99 -13.248 -2.134 -4.096 1.00 0.00 C ATOM 1565 C GLY A 99 -12.768 -3.151 -5.113 1.00 0.00 C ATOM 1566 O GLY A 99 -13.292 -4.263 -5.182 1.00 0.00 O ATOM 0 H GLY A 99 -14.064 -2.667 -2.242 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -13.620 -1.252 -4.617 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -12.406 -1.811 -3.484 1.00 0.00 H new ATOM 1570 N GLY A 100 -11.770 -2.770 -5.904 1.00 0.00 N ATOM 1571 CA GLY A 100 -11.236 -3.667 -6.912 1.00 0.00 C ATOM 1572 C GLY A 100 -9.933 -4.312 -6.483 1.00 0.00 C ATOM 1573 O GLY A 100 -9.801 -5.535 -6.503 1.00 0.00 O ATOM 0 H GLY A 100 -11.321 -1.855 -5.865 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -11.969 -4.444 -7.127 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -11.077 -3.114 -7.838 1.00 0.00 H new ATOM 1577 N LEU A 101 -8.967 -3.487 -6.094 1.00 0.00 N ATOM 1578 CA LEU A 101 -7.666 -3.981 -5.658 1.00 0.00 C ATOM 1579 C LEU A 101 -7.817 -5.256 -4.833 1.00 0.00 C ATOM 1580 O LEU A 101 -8.931 -5.677 -4.524 1.00 0.00 O ATOM 1581 CB LEU A 101 -6.939 -2.914 -4.839 1.00 0.00 C ATOM 1582 CG LEU A 101 -7.850 -1.923 -4.111 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -7.838 -2.186 -2.615 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -7.422 -0.492 -4.406 1.00 0.00 C ATOM 0 H LEU A 101 -9.061 -2.472 -6.072 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.077 -4.211 -6.546 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -6.307 -3.411 -4.103 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.278 -2.356 -5.502 1.00 0.00 H new ATOM 0 HG LEU A 101 -8.868 -2.060 -4.474 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -8.492 -1.471 -2.115 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -8.191 -3.199 -2.421 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -6.822 -2.077 -2.235 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -8.080 0.200 -3.881 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -6.396 -0.343 -4.070 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -7.483 -0.308 -5.479 1.00 0.00 H new ATOM 1596 N VAL A 102 -6.689 -5.866 -4.482 1.00 0.00 N ATOM 1597 CA VAL A 102 -6.700 -7.092 -3.694 1.00 0.00 C ATOM 1598 C VAL A 102 -7.976 -7.202 -2.869 1.00 0.00 C ATOM 1599 O VAL A 102 -8.096 -6.590 -1.806 1.00 0.00 O ATOM 1600 CB VAL A 102 -5.481 -7.172 -2.758 1.00 0.00 C ATOM 1601 CG1 VAL A 102 -5.917 -7.427 -1.323 1.00 0.00 C ATOM 1602 CG2 VAL A 102 -4.517 -8.248 -3.229 1.00 0.00 C ATOM 0 H VAL A 102 -5.758 -5.532 -4.731 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.656 -7.922 -4.399 1.00 0.00 H new ATOM 0 HB VAL A 102 -4.964 -6.213 -2.787 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -5.039 -7.480 -0.680 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -6.563 -6.615 -0.989 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -6.462 -8.369 -1.270 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -3.661 -8.290 -2.555 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -5.023 -9.213 -3.234 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -4.174 -8.013 -4.237 1.00 0.00 H new ATOM 1612 N THR A 103 -8.928 -7.984 -3.364 1.00 0.00 N ATOM 1613 CA THR A 103 -10.197 -8.173 -2.671 1.00 0.00 C ATOM 1614 C THR A 103 -10.461 -7.033 -1.694 1.00 0.00 C ATOM 1615 O THR A 103 -10.837 -7.263 -0.545 1.00 0.00 O ATOM 1616 CB THR A 103 -10.202 -9.509 -1.928 1.00 0.00 C ATOM 1617 OG1 THR A 103 -11.201 -9.521 -0.923 1.00 0.00 O ATOM 1618 CG2 THR A 103 -8.881 -9.831 -1.263 1.00 0.00 C ATOM 0 H THR A 103 -8.846 -8.497 -4.242 1.00 0.00 H new ATOM 0 HA THR A 103 -10.991 -8.177 -3.417 1.00 0.00 H new ATOM 0 HB THR A 103 -10.399 -10.261 -2.692 1.00 0.00 H new ATOM 0 HG1 THR A 103 -10.963 -8.884 -0.218 1.00 0.00 H new ATOM 0 HG21 THR A 103 -8.955 -10.792 -0.754 1.00 0.00 H new ATOM 0 HG22 THR A 103 -8.096 -9.879 -2.018 1.00 0.00 H new ATOM 0 HG23 THR A 103 -8.640 -9.054 -0.538 1.00 0.00 H new ATOM 1626 N ARG A 104 -10.263 -5.801 -2.157 1.00 0.00 N ATOM 1627 CA ARG A 104 -10.484 -4.628 -1.319 1.00 0.00 C ATOM 1628 C ARG A 104 -9.573 -4.654 -0.095 1.00 0.00 C ATOM 1629 O ARG A 104 -8.956 -5.675 0.206 1.00 0.00 O ATOM 1630 CB ARG A 104 -11.949 -4.569 -0.878 1.00 0.00 C ATOM 1631 CG ARG A 104 -12.780 -5.743 -1.368 1.00 0.00 C ATOM 1632 CD ARG A 104 -14.258 -5.391 -1.428 1.00 0.00 C ATOM 1633 NE ARG A 104 -15.060 -6.248 -0.560 1.00 0.00 N ATOM 1634 CZ ARG A 104 -16.076 -5.806 0.174 1.00 0.00 C ATOM 1635 NH1 ARG A 104 -16.412 -4.525 0.143 1.00 0.00 N ATOM 1636 NH2 ARG A 104 -16.758 -6.647 0.940 1.00 0.00 N ATOM 0 H ARG A 104 -9.951 -5.591 -3.105 1.00 0.00 H new ATOM 0 HA ARG A 104 -10.247 -3.739 -1.904 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -11.991 -4.534 0.211 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -12.393 -3.643 -1.244 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -12.436 -6.046 -2.357 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -12.634 -6.596 -0.705 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -14.395 -4.350 -1.136 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -14.611 -5.483 -2.455 1.00 0.00 H new ATOM 0 HE ARG A 104 -14.828 -7.240 -0.514 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -15.891 -3.875 -0.445 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -17.192 -4.189 0.707 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -16.503 -7.634 0.966 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -17.538 -6.306 1.503 1.00 0.00 H new ATOM 1650 N LEU A 105 -9.499 -3.529 0.617 1.00 0.00 N ATOM 1651 CA LEU A 105 -8.671 -3.445 1.810 1.00 0.00 C ATOM 1652 C LEU A 105 -9.273 -4.315 2.912 1.00 0.00 C ATOM 1653 O LEU A 105 -10.487 -4.325 3.108 1.00 0.00 O ATOM 1654 CB LEU A 105 -8.543 -1.985 2.272 1.00 0.00 C ATOM 1655 CG LEU A 105 -7.550 -1.130 1.473 1.00 0.00 C ATOM 1656 CD1 LEU A 105 -6.185 -1.103 2.148 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -7.427 -1.649 0.048 1.00 0.00 C ATOM 0 H LEU A 105 -10.001 -2.671 0.387 1.00 0.00 H new ATOM 0 HA LEU A 105 -7.671 -3.812 1.581 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -9.526 -1.517 2.219 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -8.243 -1.978 3.320 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.932 -0.110 1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.501 -0.490 1.561 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.282 -0.682 3.149 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.794 -2.118 2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.719 -1.031 -0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -7.073 -2.680 0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -8.401 -1.608 -0.439 1.00 0.00 H new ATOM 1669 N ARG A 106 -8.434 -5.071 3.610 1.00 0.00 N ATOM 1670 CA ARG A 106 -8.922 -5.954 4.659 1.00 0.00 C ATOM 1671 C ARG A 106 -8.261 -5.670 6.002 1.00 0.00 C ATOM 1672 O ARG A 106 -8.921 -5.259 6.957 1.00 0.00 O ATOM 1673 CB ARG A 106 -8.696 -7.414 4.266 1.00 0.00 C ATOM 1674 CG ARG A 106 -9.976 -8.151 3.904 1.00 0.00 C ATOM 1675 CD ARG A 106 -11.161 -7.635 4.702 1.00 0.00 C ATOM 1676 NE ARG A 106 -12.031 -8.717 5.154 1.00 0.00 N ATOM 1677 CZ ARG A 106 -12.955 -8.574 6.099 1.00 0.00 C ATOM 1678 NH1 ARG A 106 -13.128 -7.398 6.687 1.00 0.00 N ATOM 1679 NH2 ARG A 106 -13.707 -9.607 6.454 1.00 0.00 N ATOM 0 H ARG A 106 -7.424 -5.090 3.470 1.00 0.00 H new ATOM 0 HA ARG A 106 -9.990 -5.765 4.771 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -8.012 -7.452 3.418 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -8.209 -7.933 5.092 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -10.175 -8.034 2.839 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -9.848 -9.217 4.090 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -10.800 -7.076 5.565 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -11.735 -6.940 4.089 1.00 0.00 H new ATOM 0 HE ARG A 106 -11.924 -9.634 4.720 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -12.552 -6.602 6.414 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -13.837 -7.290 7.412 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -13.577 -10.512 6.002 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -14.416 -9.497 7.179 1.00 0.00 H new ATOM 1693 N TYR A 107 -6.957 -5.911 6.075 1.00 0.00 N ATOM 1694 CA TYR A 107 -6.210 -5.702 7.305 1.00 0.00 C ATOM 1695 C TYR A 107 -5.006 -4.801 7.069 1.00 0.00 C ATOM 1696 O TYR A 107 -4.226 -5.019 6.141 1.00 0.00 O ATOM 1697 CB TYR A 107 -5.747 -7.044 7.873 1.00 0.00 C ATOM 1698 CG TYR A 107 -5.020 -6.925 9.192 1.00 0.00 C ATOM 1699 CD1 TYR A 107 -5.484 -6.078 10.191 1.00 0.00 C ATOM 1700 CD2 TYR A 107 -3.866 -7.660 9.441 1.00 0.00 C ATOM 1701 CE1 TYR A 107 -4.821 -5.967 11.398 1.00 0.00 C ATOM 1702 CE2 TYR A 107 -3.197 -7.553 10.645 1.00 0.00 C ATOM 1703 CZ TYR A 107 -3.679 -6.706 11.620 1.00 0.00 C ATOM 1704 OH TYR A 107 -3.017 -6.598 12.821 1.00 0.00 O ATOM 0 H TYR A 107 -6.396 -6.252 5.294 1.00 0.00 H new ATOM 0 HA TYR A 107 -6.870 -5.213 8.021 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -6.614 -7.692 8.003 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -5.092 -7.529 7.149 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -6.378 -5.497 10.021 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -3.486 -8.326 8.680 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -5.196 -5.304 12.164 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -2.301 -8.130 10.821 1.00 0.00 H new ATOM 0 HH TYR A 107 -2.233 -7.186 12.816 1.00 0.00 H new ATOM 1714 N PRO A 108 -4.844 -3.776 7.909 1.00 0.00 N ATOM 1715 CA PRO A 108 -3.741 -2.832 7.809 1.00 0.00 C ATOM 1716 C PRO A 108 -2.489 -3.338 8.517 1.00 0.00 C ATOM 1717 O PRO A 108 -2.279 -3.065 9.698 1.00 0.00 O ATOM 1718 CB PRO A 108 -4.278 -1.576 8.508 1.00 0.00 C ATOM 1719 CG PRO A 108 -5.612 -1.945 9.090 1.00 0.00 C ATOM 1720 CD PRO A 108 -5.723 -3.443 9.026 1.00 0.00 C ATOM 0 HA PRO A 108 -3.441 -2.663 6.775 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -3.593 -1.245 9.289 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -4.378 -0.752 7.801 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -5.693 -1.596 10.120 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -6.420 -1.475 8.530 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -5.397 -3.914 9.953 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -6.748 -3.767 8.847 1.00 0.00 H new ATOM 1728 N VAL A 109 -1.662 -4.078 7.788 1.00 0.00 N ATOM 1729 CA VAL A 109 -0.436 -4.624 8.344 1.00 0.00 C ATOM 1730 C VAL A 109 0.708 -3.618 8.253 1.00 0.00 C ATOM 1731 O VAL A 109 1.755 -3.902 7.670 1.00 0.00 O ATOM 1732 CB VAL A 109 -0.030 -5.925 7.627 1.00 0.00 C ATOM 1733 CG1 VAL A 109 1.448 -6.219 7.837 1.00 0.00 C ATOM 1734 CG2 VAL A 109 -0.885 -7.086 8.108 1.00 0.00 C ATOM 0 H VAL A 109 -1.821 -4.313 6.808 1.00 0.00 H new ATOM 0 HA VAL A 109 -0.632 -4.844 9.394 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.199 -5.795 6.558 1.00 0.00 H new ATOM 0 HG11 VAL A 109 1.712 -7.142 7.322 1.00 0.00 H new ATOM 0 HG12 VAL A 109 2.043 -5.398 7.437 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.649 -6.328 8.903 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -0.585 -7.998 7.591 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.750 -7.217 9.182 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.934 -6.878 7.897 1.00 0.00 H new ATOM 1744 N CYS A 110 0.499 -2.442 8.834 1.00 0.00 N ATOM 1745 CA CYS A 110 1.513 -1.392 8.820 1.00 0.00 C ATOM 1746 C CYS A 110 2.797 -1.867 9.494 1.00 0.00 C ATOM 1747 O CYS A 110 3.144 -1.408 10.581 1.00 0.00 O ATOM 1748 CB CYS A 110 0.990 -0.139 9.519 1.00 0.00 C ATOM 1749 SG CYS A 110 0.037 -0.473 11.020 1.00 0.00 S ATOM 0 H CYS A 110 -0.362 -2.191 9.320 1.00 0.00 H new ATOM 0 HA CYS A 110 1.737 -1.152 7.781 1.00 0.00 H new ATOM 0 HB2 CYS A 110 1.835 0.502 9.773 1.00 0.00 H new ATOM 0 HB3 CYS A 110 0.365 0.419 8.822 1.00 0.00 H new ATOM 0 HG CYS A 110 -1.080 -1.058 10.704 1.00 0.00 H new ATOM 1755 N GLY A 111 3.495 -2.790 8.842 1.00 0.00 N ATOM 1756 CA GLY A 111 4.731 -3.312 9.395 1.00 0.00 C ATOM 1757 C GLY A 111 4.547 -3.892 10.784 1.00 0.00 C ATOM 1758 O GLY A 111 4.825 -3.175 11.768 1.00 0.00 O ATOM 0 H GLY A 111 3.227 -3.186 7.941 1.00 0.00 H new ATOM 0 HA2 GLY A 111 5.125 -4.083 8.732 1.00 0.00 H new ATOM 0 HA3 GLY A 111 5.473 -2.515 9.433 1.00 0.00 H new