USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 877 hydrogens (5 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 LYS NZ :NH3+ -121:sc= -4.97! (180deg=-8.45!) USER MOD Set 1.2: A 107 TYR OH : rot -101:sc= 0.427 USER MOD Set 2.1: A 92 GLN :FLIP amide:sc= -1.87! C(o=-5.3!,f=-3.3!) USER MOD Set 2.2: A 95 GLN :FLIP amide:sc= -1.4 F(o=-4.3!,f=-3.3) USER MOD Set 3.1: A 81 LYS NZ :NH3+ 174:sc= -7.65! (180deg=-8.54!) USER MOD Set 3.2: A 82 TYR OH : rot 180:sc= 0 USER MOD Set 3.3: A 93 TYR OH : rot 136:sc= -0.581! USER MOD Set 3.4: A 94 HIS :FLIP no HE2:sc= -21! C(o=-31!,f=-29!) USER MOD Set 4.1: A 62 LYS NZ :NH3+ -120:sc= 0.983 (180deg=0.424) USER MOD Set 4.2: A 64 TYR OH : rot -167:sc= -5.8! USER MOD Set 5.1: A 48 SER OG : rot -61:sc= -1.23! USER MOD Set 5.2: A 63 HIS : no HD1:sc= -14.9! C(o=-16!,f=-19!) USER MOD Set 6.1: A 39 SER OG : rot -165:sc= -0.625! USER MOD Set 6.2: A 44 THR OG1 : rot 50:sc= -1.39! USER MOD Set 6.3: A 46 THR OG1 : rot 64:sc= -2.17! USER MOD Set 6.4: A 65 HIS : no HE2:sc= -24.7! C(o=-29!,f=-42!) USER MOD Set 7.1: A 13 ASN :FLIP amide:sc= -9.51! C(o=-51!,f=-45!) USER MOD Set 7.2: A 35 MET CE :methyl -140:sc= -35.1! (180deg=-39.5!) USER MOD Single : A 4 ASN : amide:sc= -0.0968 K(o=-0.097,f=-2.2!) USER MOD Single : A 5 ASN :FLIP amide:sc= -0.291 F(o=-1.1,f=-0.29) USER MOD Single : A 8 THR OG1 : rot 18:sc= 0.905! USER MOD Single : A 9 TYR OH : rot 150:sc= -2.99! USER MOD Single : A 12 TYR OH : rot -130:sc= -0.467 USER MOD Single : A 14 LYS NZ :NH3+ -115:sc= -3.15! (180deg=-5.66!) USER MOD Single : A 15 SER OG : rot -43:sc= 0.0589 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 148:sc= -0.682 (180deg=-2.3) USER MOD Single : A 28 THR OG1 : rot -69:sc= -3.87! USER MOD Single : A 41 THR OG1 : rot -172:sc= -8.31! USER MOD Single : A 45 TYR OH : rot 114:sc= -2.43! USER MOD Single : A 51 THR OG1 : rot 94:sc= -12.1! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0874 USER MOD Single : A 58 ASN : amide:sc= -1.3! C(o=-1.3!,f=-7.6!) USER MOD Single : A 60 CYS SG : rot 21:sc= -2.63! USER MOD Single : A 67 LYS NZ :NH3+ 176:sc= -6.82! (180deg=-7.08!) USER MOD Single : A 69 THR OG1 : rot -57:sc= 0.956 USER MOD Single : A 70 ASN :FLIP amide:sc= 0.135 F(o=-1.1!,f=0.13) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot -79:sc= 0.0128 USER MOD Single : A 77 TYR OH : rot 150:sc= 0 USER MOD Single : A 86 SER OG : rot 131:sc= -11.8! USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN :FLIP amide:sc= -3.78! C(o=-8.1!,f=-3.8!) USER MOD Single : A 103 THR OG1 : rot 1:sc= -0.492! USER MOD Single : A 110 CYS SG : rot -47:sc= 0.62 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 3 -10.241 12.337 4.735 1.00 0.00 C HETATM 2 O ACE A 3 -10.219 11.870 5.874 1.00 0.00 O HETATM 3 CH3 ACE A 3 -10.531 13.798 4.505 1.00 0.00 C HETATM 0 H1 ACE A 3 -9.684 14.262 4.001 1.00 0.00 H new HETATM 0 H2 ACE A 3 -11.422 13.899 3.885 1.00 0.00 H new HETATM 0 H3 ACE A 3 -10.698 14.291 5.463 1.00 0.00 H new ATOM 7 N ASN A 4 -10.018 11.605 3.649 1.00 0.00 N ATOM 8 CA ASN A 4 -9.727 10.178 3.734 1.00 0.00 C ATOM 9 C ASN A 4 -8.384 9.856 3.087 1.00 0.00 C ATOM 10 O ASN A 4 -8.188 8.766 2.551 1.00 0.00 O ATOM 11 CB ASN A 4 -10.838 9.369 3.062 1.00 0.00 C ATOM 12 CG ASN A 4 -11.982 9.060 4.007 1.00 0.00 C ATOM 13 OD1 ASN A 4 -11.894 9.311 5.209 1.00 0.00 O ATOM 14 ND2 ASN A 4 -13.064 8.512 3.468 1.00 0.00 N ATOM 0 H ASN A 4 -10.033 11.976 2.699 1.00 0.00 H new ATOM 0 HA ASN A 4 -9.675 9.906 4.788 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -11.219 9.923 2.204 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -10.424 8.436 2.680 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -13.866 8.282 4.055 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -13.094 8.321 2.466 1.00 0.00 H new ATOM 21 N ASN A 5 -7.463 10.812 3.141 1.00 0.00 N ATOM 22 CA ASN A 5 -6.138 10.631 2.560 1.00 0.00 C ATOM 23 C ASN A 5 -5.277 9.726 3.436 1.00 0.00 C ATOM 24 O ASN A 5 -4.065 9.642 3.256 1.00 0.00 O ATOM 25 CB ASN A 5 -5.450 11.985 2.374 1.00 0.00 C ATOM 26 CG ASN A 5 -6.420 13.145 2.479 1.00 0.00 C ATOM 27 OD1 ASN A 5 -6.624 13.638 3.696 1.00 0.00 O flip ATOM 28 ND2 ASN A 5 -6.979 13.595 1.479 1.00 0.00 N flip ATOM 0 H ASN A 5 -7.610 11.720 3.581 1.00 0.00 H new ATOM 0 HA ASN A 5 -6.258 10.155 1.587 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -4.669 12.099 3.126 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -4.961 12.010 1.400 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -6.793 13.186 0.563 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -7.628 14.377 1.566 1.00 0.00 H new ATOM 35 N LEU A 6 -5.912 9.052 4.387 1.00 0.00 N ATOM 36 CA LEU A 6 -5.204 8.151 5.292 1.00 0.00 C ATOM 37 C LEU A 6 -3.884 8.754 5.734 1.00 0.00 C ATOM 38 O LEU A 6 -3.013 8.057 6.253 1.00 0.00 O ATOM 39 CB LEU A 6 -4.940 6.824 4.602 1.00 0.00 C ATOM 40 CG LEU A 6 -5.524 6.714 3.207 1.00 0.00 C ATOM 41 CD1 LEU A 6 -4.590 5.922 2.317 1.00 0.00 C ATOM 42 CD2 LEU A 6 -6.891 6.072 3.279 1.00 0.00 C ATOM 0 H LEU A 6 -6.917 9.111 4.553 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.831 7.993 6.170 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.863 6.666 4.545 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.347 6.022 5.217 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.635 7.709 2.775 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.017 5.847 1.317 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.625 6.425 2.263 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.455 4.922 2.729 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.309 5.994 2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.803 5.077 3.714 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.547 6.682 3.899 1.00 0.00 H new ATOM 54 N GLU A 7 -3.738 10.045 5.510 1.00 0.00 N ATOM 55 CA GLU A 7 -2.516 10.752 5.870 1.00 0.00 C ATOM 56 C GLU A 7 -2.200 10.608 7.357 1.00 0.00 C ATOM 57 O GLU A 7 -1.827 11.577 8.019 1.00 0.00 O ATOM 58 CB GLU A 7 -2.630 12.232 5.505 1.00 0.00 C ATOM 59 CG GLU A 7 -3.704 12.970 6.288 1.00 0.00 C ATOM 60 CD GLU A 7 -3.190 14.251 6.916 1.00 0.00 C ATOM 61 OE1 GLU A 7 -3.226 15.300 6.238 1.00 0.00 O ATOM 62 OE2 GLU A 7 -2.753 14.206 8.085 1.00 0.00 O ATOM 0 H GLU A 7 -4.452 10.632 5.078 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.699 10.302 5.306 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -1.669 12.716 5.678 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -2.844 12.320 4.440 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -4.537 13.203 5.624 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.093 12.317 7.069 1.00 0.00 H new ATOM 69 N THR A 8 -2.343 9.394 7.873 1.00 0.00 N ATOM 70 CA THR A 8 -2.066 9.120 9.276 1.00 0.00 C ATOM 71 C THR A 8 -1.546 7.696 9.467 1.00 0.00 C ATOM 72 O THR A 8 -1.341 7.251 10.596 1.00 0.00 O ATOM 73 CB THR A 8 -3.327 9.331 10.116 1.00 0.00 C ATOM 74 OG1 THR A 8 -3.243 8.615 11.335 1.00 0.00 O ATOM 75 CG2 THR A 8 -4.594 8.893 9.413 1.00 0.00 C ATOM 0 H THR A 8 -2.650 8.581 7.338 1.00 0.00 H new ATOM 0 HA THR A 8 -1.294 9.814 9.608 1.00 0.00 H new ATOM 0 HB THR A 8 -3.381 10.405 10.292 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.309 8.375 11.510 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.451 9.070 10.063 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.714 9.463 8.491 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.531 7.831 9.177 1.00 0.00 H new ATOM 83 N TYR A 9 -1.340 6.979 8.362 1.00 0.00 N ATOM 84 CA TYR A 9 -0.853 5.610 8.427 1.00 0.00 C ATOM 85 C TYR A 9 0.635 5.533 8.125 1.00 0.00 C ATOM 86 O TYR A 9 1.105 6.054 7.113 1.00 0.00 O ATOM 87 CB TYR A 9 -1.637 4.731 7.460 1.00 0.00 C ATOM 88 CG TYR A 9 -3.117 4.790 7.733 1.00 0.00 C ATOM 89 CD1 TYR A 9 -3.674 4.025 8.745 1.00 0.00 C ATOM 90 CD2 TYR A 9 -3.952 5.634 7.008 1.00 0.00 C ATOM 91 CE1 TYR A 9 -5.021 4.089 9.028 1.00 0.00 C ATOM 92 CE2 TYR A 9 -5.303 5.707 7.290 1.00 0.00 C ATOM 93 CZ TYR A 9 -5.832 4.933 8.300 1.00 0.00 C ATOM 94 OH TYR A 9 -7.177 5.002 8.583 1.00 0.00 O ATOM 0 H TYR A 9 -1.503 7.326 7.417 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.003 5.247 9.444 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.442 5.051 6.437 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -1.292 3.700 7.543 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -3.041 3.367 9.322 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.539 6.240 6.215 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.439 3.481 9.816 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.941 6.367 6.722 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.510 5.899 8.372 1.00 0.00 H new ATOM 104 N GLU A 10 1.369 4.873 9.009 1.00 0.00 N ATOM 105 CA GLU A 10 2.805 4.714 8.847 1.00 0.00 C ATOM 106 C GLU A 10 3.150 4.400 7.399 1.00 0.00 C ATOM 107 O GLU A 10 4.289 4.579 6.967 1.00 0.00 O ATOM 108 CB GLU A 10 3.306 3.581 9.743 1.00 0.00 C ATOM 109 CG GLU A 10 4.398 2.738 9.106 1.00 0.00 C ATOM 110 CD GLU A 10 5.476 2.337 10.094 1.00 0.00 C ATOM 111 OE1 GLU A 10 5.314 1.292 10.758 1.00 0.00 O ATOM 112 OE2 GLU A 10 6.483 3.069 10.203 1.00 0.00 O ATOM 0 H GLU A 10 0.990 4.437 9.850 1.00 0.00 H new ATOM 0 HA GLU A 10 3.288 5.649 9.131 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.683 4.005 10.674 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.466 2.936 10.003 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.954 1.841 8.674 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.851 3.296 8.286 1.00 0.00 H new ATOM 119 N TRP A 11 2.168 3.896 6.663 1.00 0.00 N ATOM 120 CA TRP A 11 2.375 3.515 5.278 1.00 0.00 C ATOM 121 C TRP A 11 1.922 4.587 4.283 1.00 0.00 C ATOM 122 O TRP A 11 2.483 4.699 3.193 1.00 0.00 O ATOM 123 CB TRP A 11 1.611 2.231 5.019 1.00 0.00 C ATOM 124 CG TRP A 11 0.245 2.235 5.640 1.00 0.00 C ATOM 125 CD1 TRP A 11 -0.143 1.690 6.836 1.00 0.00 C ATOM 126 CD2 TRP A 11 -0.923 2.812 5.070 1.00 0.00 C ATOM 127 NE1 TRP A 11 -1.494 1.886 7.023 1.00 0.00 N ATOM 128 CE2 TRP A 11 -1.992 2.578 5.950 1.00 0.00 C ATOM 129 CE3 TRP A 11 -1.159 3.504 3.891 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -3.286 3.015 5.677 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -2.438 3.937 3.617 1.00 0.00 C ATOM 132 CH2 TRP A 11 -3.488 3.690 4.506 1.00 0.00 C ATOM 0 H TRP A 11 1.220 3.743 7.006 1.00 0.00 H new ATOM 0 HA TRP A 11 3.446 3.383 5.126 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.516 2.080 3.944 1.00 0.00 H new ATOM 0 HB3 TRP A 11 2.181 1.388 5.410 1.00 0.00 H new ATOM 0 HD1 TRP A 11 0.512 1.183 7.529 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.034 1.568 7.828 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.353 3.700 3.199 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.098 2.828 6.364 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.632 4.476 2.701 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.480 4.040 4.262 1.00 0.00 H new ATOM 143 N TYR A 12 0.892 5.350 4.629 1.00 0.00 N ATOM 144 CA TYR A 12 0.382 6.369 3.714 1.00 0.00 C ATOM 145 C TYR A 12 1.409 7.450 3.413 1.00 0.00 C ATOM 146 O TYR A 12 2.131 7.914 4.294 1.00 0.00 O ATOM 147 CB TYR A 12 -0.884 7.029 4.249 1.00 0.00 C ATOM 148 CG TYR A 12 -1.553 7.905 3.212 1.00 0.00 C ATOM 149 CD1 TYR A 12 -2.316 7.343 2.200 1.00 0.00 C ATOM 150 CD2 TYR A 12 -1.410 9.289 3.234 1.00 0.00 C ATOM 151 CE1 TYR A 12 -2.922 8.129 1.242 1.00 0.00 C ATOM 152 CE2 TYR A 12 -2.014 10.084 2.275 1.00 0.00 C ATOM 153 CZ TYR A 12 -2.770 9.498 1.283 1.00 0.00 C ATOM 154 OH TYR A 12 -3.372 10.283 0.326 1.00 0.00 O ATOM 0 H TYR A 12 0.399 5.287 5.520 1.00 0.00 H new ATOM 0 HA TYR A 12 0.152 5.839 2.789 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.582 6.259 4.577 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.637 7.629 5.125 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.438 6.271 2.161 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -0.819 9.750 4.011 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.514 7.673 0.462 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.893 11.157 2.304 1.00 0.00 H new ATOM 0 HH TYR A 12 -2.713 10.904 -0.049 1.00 0.00 H new ATOM 164 N ASN A 13 1.437 7.856 2.150 1.00 0.00 N ATOM 165 CA ASN A 13 2.336 8.900 1.683 1.00 0.00 C ATOM 166 C ASN A 13 1.622 9.780 0.665 1.00 0.00 C ATOM 167 O ASN A 13 1.410 9.375 -0.478 1.00 0.00 O ATOM 168 CB ASN A 13 3.582 8.287 1.058 1.00 0.00 C ATOM 169 CG ASN A 13 4.842 9.023 1.461 1.00 0.00 C ATOM 170 OD1 ASN A 13 5.835 8.276 1.916 1.00 0.00 O flip ATOM 171 ND2 ASN A 13 4.920 10.249 1.367 1.00 0.00 N flip ATOM 0 H ASN A 13 0.836 7.470 1.422 1.00 0.00 H new ATOM 0 HA ASN A 13 2.638 9.510 2.535 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.661 7.242 1.358 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.486 8.300 -0.028 1.00 0.00 H new ATOM 0 HD21 ASN A 13 4.129 10.785 1.010 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.776 10.728 1.646 1.00 0.00 H new ATOM 178 N LYS A 14 1.235 10.977 1.088 1.00 0.00 N ATOM 179 CA LYS A 14 0.530 11.897 0.222 1.00 0.00 C ATOM 180 C LYS A 14 1.448 12.479 -0.847 1.00 0.00 C ATOM 181 O LYS A 14 2.668 12.513 -0.688 1.00 0.00 O ATOM 182 CB LYS A 14 -0.069 13.015 1.059 1.00 0.00 C ATOM 183 CG LYS A 14 -0.256 12.654 2.522 1.00 0.00 C ATOM 184 CD LYS A 14 -1.492 13.321 3.101 1.00 0.00 C ATOM 185 CE LYS A 14 -1.699 14.710 2.520 1.00 0.00 C ATOM 186 NZ LYS A 14 -2.457 14.668 1.238 1.00 0.00 N ATOM 0 H LYS A 14 1.401 11.329 2.031 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.262 11.349 -0.288 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.575 13.892 0.990 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.035 13.294 0.637 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.342 11.572 2.624 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.624 12.958 3.089 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.368 12.706 2.897 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.396 13.389 4.185 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.236 15.328 3.239 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.731 15.182 2.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.847 14.997 0.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.763 13.693 1.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.291 15.285 1.307 1.00 0.00 H new ATOM 200 N SER A 15 0.842 12.943 -1.934 1.00 0.00 N ATOM 201 CA SER A 15 1.583 13.539 -3.044 1.00 0.00 C ATOM 202 C SER A 15 2.722 12.636 -3.522 1.00 0.00 C ATOM 203 O SER A 15 3.439 12.978 -4.462 1.00 0.00 O ATOM 204 CB SER A 15 2.143 14.901 -2.632 1.00 0.00 C ATOM 205 OG SER A 15 2.409 15.709 -3.766 1.00 0.00 O ATOM 0 H SER A 15 -0.168 12.918 -2.072 1.00 0.00 H new ATOM 0 HA SER A 15 0.885 13.663 -3.872 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.432 15.408 -1.980 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.059 14.762 -2.058 1.00 0.00 H new ATOM 0 HG SER A 15 2.835 15.166 -4.462 1.00 0.00 H new ATOM 211 N ILE A 16 2.893 11.490 -2.870 1.00 0.00 N ATOM 212 CA ILE A 16 3.949 10.557 -3.227 1.00 0.00 C ATOM 213 C ILE A 16 3.797 10.015 -4.639 1.00 0.00 C ATOM 214 O ILE A 16 2.701 9.979 -5.197 1.00 0.00 O ATOM 215 CB ILE A 16 3.977 9.360 -2.267 1.00 0.00 C ATOM 216 CG1 ILE A 16 5.252 9.375 -1.444 1.00 0.00 C ATOM 217 CG2 ILE A 16 3.871 8.057 -3.044 1.00 0.00 C ATOM 218 CD1 ILE A 16 5.767 7.988 -1.129 1.00 0.00 C ATOM 0 H ILE A 16 2.310 11.187 -2.090 1.00 0.00 H new ATOM 0 HA ILE A 16 4.877 11.125 -3.161 1.00 0.00 H new ATOM 0 HB ILE A 16 3.124 9.436 -1.593 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.020 9.928 -1.984 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.070 9.910 -0.512 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.892 7.217 -2.350 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.936 8.042 -3.603 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.709 7.977 -3.736 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.680 8.064 -0.539 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.014 7.440 -0.563 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.979 7.459 -2.058 1.00 0.00 H new ATOM 230 N SER A 17 4.917 9.563 -5.189 1.00 0.00 N ATOM 231 CA SER A 17 4.952 8.974 -6.517 1.00 0.00 C ATOM 232 C SER A 17 5.593 7.593 -6.442 1.00 0.00 C ATOM 233 O SER A 17 6.445 7.347 -5.589 1.00 0.00 O ATOM 234 CB SER A 17 5.727 9.869 -7.481 1.00 0.00 C ATOM 235 OG SER A 17 5.076 9.954 -8.736 1.00 0.00 O ATOM 0 H SER A 17 5.825 9.595 -4.725 1.00 0.00 H new ATOM 0 HA SER A 17 3.933 8.878 -6.891 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.829 10.866 -7.053 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.734 9.475 -7.617 1.00 0.00 H new ATOM 0 HG SER A 17 5.592 10.534 -9.334 1.00 0.00 H new ATOM 241 N ARG A 18 5.185 6.693 -7.325 1.00 0.00 N ATOM 242 CA ARG A 18 5.735 5.343 -7.329 1.00 0.00 C ATOM 243 C ARG A 18 7.261 5.377 -7.304 1.00 0.00 C ATOM 244 O ARG A 18 7.905 4.462 -6.791 1.00 0.00 O ATOM 245 CB ARG A 18 5.250 4.577 -8.562 1.00 0.00 C ATOM 246 CG ARG A 18 5.601 5.255 -9.876 1.00 0.00 C ATOM 247 CD ARG A 18 4.363 5.800 -10.569 1.00 0.00 C ATOM 248 NE ARG A 18 4.579 7.142 -11.101 1.00 0.00 N ATOM 249 CZ ARG A 18 4.081 7.564 -12.259 1.00 0.00 C ATOM 250 NH1 ARG A 18 3.341 6.751 -13.000 1.00 0.00 N ATOM 251 NH2 ARG A 18 4.322 8.799 -12.675 1.00 0.00 N ATOM 0 H ARG A 18 4.482 6.869 -8.042 1.00 0.00 H new ATOM 0 HA ARG A 18 5.386 4.832 -6.432 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.683 3.577 -8.552 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.168 4.457 -8.502 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.303 6.068 -9.691 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.103 4.543 -10.531 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.077 5.130 -11.380 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.532 5.819 -9.864 1.00 0.00 H new ATOM 0 HE ARG A 18 5.143 7.792 -10.554 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.153 5.800 -12.682 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.960 7.076 -13.888 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.890 9.427 -12.106 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.939 9.122 -13.564 1.00 0.00 H new ATOM 265 N ASP A 19 7.831 6.434 -7.870 1.00 0.00 N ATOM 266 CA ASP A 19 9.281 6.590 -7.927 1.00 0.00 C ATOM 267 C ASP A 19 9.879 6.955 -6.566 1.00 0.00 C ATOM 268 O ASP A 19 10.956 6.477 -6.209 1.00 0.00 O ATOM 269 CB ASP A 19 9.654 7.658 -8.956 1.00 0.00 C ATOM 270 CG ASP A 19 11.133 7.647 -9.291 1.00 0.00 C ATOM 271 OD1 ASP A 19 11.952 7.843 -8.369 1.00 0.00 O ATOM 272 OD2 ASP A 19 11.471 7.442 -10.476 1.00 0.00 O ATOM 0 H ASP A 19 7.310 7.199 -8.298 1.00 0.00 H new ATOM 0 HA ASP A 19 9.697 5.627 -8.223 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.077 7.498 -9.867 1.00 0.00 H new ATOM 0 HB3 ASP A 19 9.379 8.640 -8.572 1.00 0.00 H new ATOM 277 N LYS A 20 9.197 7.822 -5.822 1.00 0.00 N ATOM 278 CA LYS A 20 9.692 8.263 -4.519 1.00 0.00 C ATOM 279 C LYS A 20 9.481 7.212 -3.433 1.00 0.00 C ATOM 280 O LYS A 20 10.381 6.945 -2.630 1.00 0.00 O ATOM 281 CB LYS A 20 9.013 9.567 -4.105 1.00 0.00 C ATOM 282 CG LYS A 20 8.955 10.600 -5.215 1.00 0.00 C ATOM 283 CD LYS A 20 7.584 10.629 -5.866 1.00 0.00 C ATOM 284 CE LYS A 20 6.705 11.713 -5.264 1.00 0.00 C ATOM 285 NZ LYS A 20 6.974 13.046 -5.869 1.00 0.00 N ATOM 0 H LYS A 20 8.304 8.232 -6.096 1.00 0.00 H new ATOM 0 HA LYS A 20 10.765 8.422 -4.626 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.999 9.349 -3.770 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.546 9.990 -3.254 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.190 11.585 -4.812 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.712 10.374 -5.966 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.692 10.800 -6.937 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.102 9.659 -5.745 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.657 11.453 -5.410 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.874 11.762 -4.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.354 13.757 -5.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.968 13.306 -5.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.788 13.007 -6.891 1.00 0.00 H new ATOM 299 N ALA A 21 8.287 6.633 -3.385 1.00 0.00 N ATOM 300 CA ALA A 21 7.987 5.641 -2.363 1.00 0.00 C ATOM 301 C ALA A 21 9.076 4.566 -2.291 1.00 0.00 C ATOM 302 O ALA A 21 9.467 4.133 -1.204 1.00 0.00 O ATOM 303 CB ALA A 21 6.614 5.025 -2.573 1.00 0.00 C ATOM 0 H ALA A 21 7.523 6.830 -4.031 1.00 0.00 H new ATOM 0 HA ALA A 21 7.971 6.156 -1.403 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.422 4.289 -1.792 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.855 5.806 -2.530 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.579 4.538 -3.548 1.00 0.00 H new ATOM 309 N GLU A 22 9.590 4.150 -3.439 1.00 0.00 N ATOM 310 CA GLU A 22 10.651 3.154 -3.455 1.00 0.00 C ATOM 311 C GLU A 22 11.866 3.704 -2.714 1.00 0.00 C ATOM 312 O GLU A 22 12.382 3.084 -1.777 1.00 0.00 O ATOM 313 CB GLU A 22 11.028 2.791 -4.892 1.00 0.00 C ATOM 314 CG GLU A 22 9.919 2.079 -5.650 1.00 0.00 C ATOM 315 CD GLU A 22 10.446 1.217 -6.781 1.00 0.00 C ATOM 316 OE1 GLU A 22 11.275 1.716 -7.571 1.00 0.00 O ATOM 317 OE2 GLU A 22 10.031 0.043 -6.876 1.00 0.00 O ATOM 0 H GLU A 22 9.296 4.480 -4.358 1.00 0.00 H new ATOM 0 HA GLU A 22 10.299 2.249 -2.959 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.298 3.700 -5.429 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.913 2.155 -4.877 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.352 1.457 -4.958 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.227 2.818 -6.054 1.00 0.00 H new ATOM 324 N LYS A 23 12.297 4.891 -3.132 1.00 0.00 N ATOM 325 CA LYS A 23 13.433 5.559 -2.514 1.00 0.00 C ATOM 326 C LYS A 23 13.164 5.818 -1.040 1.00 0.00 C ATOM 327 O LYS A 23 14.003 5.529 -0.187 1.00 0.00 O ATOM 328 CB LYS A 23 13.717 6.883 -3.221 1.00 0.00 C ATOM 329 CG LYS A 23 12.521 7.817 -3.246 1.00 0.00 C ATOM 330 CD LYS A 23 12.940 9.264 -3.439 1.00 0.00 C ATOM 331 CE LYS A 23 12.219 10.178 -2.461 1.00 0.00 C ATOM 332 NZ LYS A 23 11.592 11.341 -3.147 1.00 0.00 N ATOM 0 H LYS A 23 11.872 5.410 -3.900 1.00 0.00 H new ATOM 0 HA LYS A 23 14.302 4.908 -2.606 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.549 7.382 -2.724 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.033 6.680 -4.244 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.847 7.523 -4.051 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.965 7.721 -2.313 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.017 9.355 -3.300 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.723 9.576 -4.461 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.452 9.612 -1.933 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.924 10.536 -1.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.725 11.616 -2.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.257 12.140 -3.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.355 11.080 -4.126 1.00 0.00 H new ATOM 346 N LEU A 24 11.987 6.364 -0.740 1.00 0.00 N ATOM 347 CA LEU A 24 11.628 6.649 0.643 1.00 0.00 C ATOM 348 C LEU A 24 11.524 5.352 1.431 1.00 0.00 C ATOM 349 O LEU A 24 12.000 5.266 2.563 1.00 0.00 O ATOM 350 CB LEU A 24 10.320 7.446 0.721 1.00 0.00 C ATOM 351 CG LEU A 24 9.097 6.661 1.199 1.00 0.00 C ATOM 352 CD1 LEU A 24 8.741 5.591 0.186 1.00 0.00 C ATOM 353 CD2 LEU A 24 9.349 6.044 2.566 1.00 0.00 C ATOM 0 H LEU A 24 11.276 6.614 -1.427 1.00 0.00 H new ATOM 0 HA LEU A 24 12.412 7.263 1.085 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.471 8.293 1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.105 7.854 -0.266 1.00 0.00 H new ATOM 0 HG LEU A 24 8.257 7.349 1.293 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.869 5.036 0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.515 6.058 -0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 24 9.582 4.908 0.068 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.465 5.491 2.884 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.200 5.365 2.508 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.563 6.833 3.287 1.00 0.00 H new ATOM 365 N LEU A 25 10.920 4.332 0.822 1.00 0.00 N ATOM 366 CA LEU A 25 10.791 3.039 1.480 1.00 0.00 C ATOM 367 C LEU A 25 12.165 2.413 1.664 1.00 0.00 C ATOM 368 O LEU A 25 12.492 1.906 2.737 1.00 0.00 O ATOM 369 CB LEU A 25 9.908 2.095 0.666 1.00 0.00 C ATOM 370 CG LEU A 25 8.402 2.303 0.829 1.00 0.00 C ATOM 371 CD1 LEU A 25 7.724 2.363 -0.530 1.00 0.00 C ATOM 372 CD2 LEU A 25 7.800 1.191 1.675 1.00 0.00 C ATOM 0 H LEU A 25 10.518 4.377 -0.114 1.00 0.00 H new ATOM 0 HA LEU A 25 10.325 3.199 2.452 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.161 2.207 -0.388 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.148 1.069 0.945 1.00 0.00 H new ATOM 0 HG LEU A 25 8.238 3.252 1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.653 2.511 -0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.136 3.192 -1.106 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.897 1.429 -1.064 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.728 1.354 1.781 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.974 0.230 1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.266 1.190 2.660 1.00 0.00 H new ATOM 384 N LEU A 26 12.971 2.456 0.605 1.00 0.00 N ATOM 385 CA LEU A 26 14.315 1.896 0.649 1.00 0.00 C ATOM 386 C LEU A 26 15.097 2.452 1.832 1.00 0.00 C ATOM 387 O LEU A 26 15.941 1.767 2.411 1.00 0.00 O ATOM 388 CB LEU A 26 15.054 2.201 -0.650 1.00 0.00 C ATOM 389 CG LEU A 26 15.223 1.008 -1.588 1.00 0.00 C ATOM 390 CD1 LEU A 26 13.870 0.533 -2.093 1.00 0.00 C ATOM 391 CD2 LEU A 26 16.134 1.370 -2.751 1.00 0.00 C ATOM 0 H LEU A 26 12.715 2.872 -0.290 1.00 0.00 H new ATOM 0 HA LEU A 26 14.229 0.816 0.769 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.518 2.988 -1.180 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.040 2.596 -0.406 1.00 0.00 H new ATOM 0 HG LEU A 26 15.686 0.193 -1.032 1.00 0.00 H new ATOM 0 HD11 LEU A 26 14.009 -0.318 -2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.251 0.234 -1.247 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.379 1.342 -2.634 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.243 0.508 -3.409 1.00 0.00 H new ATOM 0 HD22 LEU A 26 15.700 2.200 -3.309 1.00 0.00 H new ATOM 0 HD23 LEU A 26 17.113 1.662 -2.370 1.00 0.00 H new ATOM 403 N ASP A 27 14.812 3.700 2.185 1.00 0.00 N ATOM 404 CA ASP A 27 15.489 4.355 3.298 1.00 0.00 C ATOM 405 C ASP A 27 15.272 3.592 4.602 1.00 0.00 C ATOM 406 O ASP A 27 16.129 3.600 5.485 1.00 0.00 O ATOM 407 CB ASP A 27 14.990 5.794 3.448 1.00 0.00 C ATOM 408 CG ASP A 27 14.107 5.975 4.667 1.00 0.00 C ATOM 409 OD1 ASP A 27 14.653 6.075 5.786 1.00 0.00 O ATOM 410 OD2 ASP A 27 12.870 6.017 4.502 1.00 0.00 O ATOM 0 H ASP A 27 14.116 4.279 1.716 1.00 0.00 H new ATOM 0 HA ASP A 27 16.557 4.365 3.081 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.845 6.467 3.519 1.00 0.00 H new ATOM 0 HB3 ASP A 27 14.434 6.078 2.554 1.00 0.00 H new ATOM 415 N THR A 28 14.121 2.937 4.719 1.00 0.00 N ATOM 416 CA THR A 28 13.797 2.174 5.920 1.00 0.00 C ATOM 417 C THR A 28 14.541 0.845 5.944 1.00 0.00 C ATOM 418 O THR A 28 15.234 0.526 6.910 1.00 0.00 O ATOM 419 CB THR A 28 12.292 1.917 5.998 1.00 0.00 C ATOM 420 OG1 THR A 28 11.941 0.767 5.250 1.00 0.00 O ATOM 421 CG2 THR A 28 11.457 3.068 5.483 1.00 0.00 C ATOM 0 H THR A 28 13.399 2.919 3.999 1.00 0.00 H new ATOM 0 HA THR A 28 14.109 2.764 6.782 1.00 0.00 H new ATOM 0 HB THR A 28 12.079 1.782 7.058 1.00 0.00 H new ATOM 0 HG1 THR A 28 12.062 0.949 4.295 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.400 2.817 5.568 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.667 3.961 6.071 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.702 3.256 4.438 1.00 0.00 H new ATOM 429 N GLY A 29 14.385 0.070 4.878 1.00 0.00 N ATOM 430 CA GLY A 29 15.041 -1.223 4.799 1.00 0.00 C ATOM 431 C GLY A 29 14.274 -2.298 5.543 1.00 0.00 C ATOM 432 O GLY A 29 14.865 -3.150 6.206 1.00 0.00 O ATOM 0 H GLY A 29 13.816 0.313 4.067 1.00 0.00 H new ATOM 0 HA2 GLY A 29 15.147 -1.512 3.753 1.00 0.00 H new ATOM 0 HA3 GLY A 29 16.047 -1.145 5.212 1.00 0.00 H new ATOM 436 N LYS A 30 12.950 -2.249 5.436 1.00 0.00 N ATOM 437 CA LYS A 30 12.086 -3.215 6.106 1.00 0.00 C ATOM 438 C LYS A 30 11.616 -4.307 5.162 1.00 0.00 C ATOM 439 O LYS A 30 11.404 -4.067 3.973 1.00 0.00 O ATOM 440 CB LYS A 30 10.856 -2.519 6.683 1.00 0.00 C ATOM 441 CG LYS A 30 11.099 -1.834 8.008 1.00 0.00 C ATOM 442 CD LYS A 30 12.090 -0.690 7.881 1.00 0.00 C ATOM 443 CE LYS A 30 11.963 0.278 9.045 1.00 0.00 C ATOM 444 NZ LYS A 30 10.995 1.370 8.756 1.00 0.00 N ATOM 0 H LYS A 30 12.450 -1.548 4.889 1.00 0.00 H new ATOM 0 HA LYS A 30 12.678 -3.666 6.902 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.499 -1.781 5.965 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.061 -3.254 6.807 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.155 -1.455 8.399 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.474 -2.561 8.729 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.105 -1.087 7.843 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.920 -0.160 6.944 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.643 -0.264 9.935 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.940 0.708 9.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.477 2.289 8.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.613 1.251 7.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.217 1.335 9.445 1.00 0.00 H new ATOM 458 N GLU A 31 11.411 -5.498 5.710 1.00 0.00 N ATOM 459 CA GLU A 31 10.914 -6.609 4.921 1.00 0.00 C ATOM 460 C GLU A 31 9.398 -6.508 4.835 1.00 0.00 C ATOM 461 O GLU A 31 8.693 -6.735 5.818 1.00 0.00 O ATOM 462 CB GLU A 31 11.323 -7.943 5.549 1.00 0.00 C ATOM 463 CG GLU A 31 10.303 -8.490 6.534 1.00 0.00 C ATOM 464 CD GLU A 31 10.127 -7.596 7.747 1.00 0.00 C ATOM 465 OE1 GLU A 31 10.058 -6.362 7.569 1.00 0.00 O ATOM 466 OE2 GLU A 31 10.058 -8.131 8.873 1.00 0.00 O ATOM 0 H GLU A 31 11.581 -5.715 6.692 1.00 0.00 H new ATOM 0 HA GLU A 31 11.344 -6.565 3.921 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.480 -8.675 4.757 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.278 -7.817 6.060 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.343 -8.607 6.031 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.614 -9.482 6.860 1.00 0.00 H new ATOM 473 N GLY A 32 8.904 -6.148 3.661 1.00 0.00 N ATOM 474 CA GLY A 32 7.478 -6.002 3.474 1.00 0.00 C ATOM 475 C GLY A 32 7.006 -4.589 3.760 1.00 0.00 C ATOM 476 O GLY A 32 5.811 -4.356 3.944 1.00 0.00 O ATOM 0 H GLY A 32 9.467 -5.954 2.833 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.218 -6.270 2.450 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.954 -6.698 4.129 1.00 0.00 H new ATOM 480 N ALA A 33 7.940 -3.635 3.787 1.00 0.00 N ATOM 481 CA ALA A 33 7.590 -2.249 4.039 1.00 0.00 C ATOM 482 C ALA A 33 6.329 -1.904 3.279 1.00 0.00 C ATOM 483 O ALA A 33 6.189 -2.254 2.106 1.00 0.00 O ATOM 484 CB ALA A 33 8.722 -1.325 3.639 1.00 0.00 C ATOM 0 H ALA A 33 8.935 -3.802 3.638 1.00 0.00 H new ATOM 0 HA ALA A 33 7.415 -2.116 5.107 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.436 -0.292 3.837 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.614 -1.572 4.215 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.932 -1.446 2.576 1.00 0.00 H new ATOM 490 N PHE A 34 5.408 -1.239 3.950 1.00 0.00 N ATOM 491 CA PHE A 34 4.146 -0.876 3.328 1.00 0.00 C ATOM 492 C PHE A 34 3.883 0.615 3.364 1.00 0.00 C ATOM 493 O PHE A 34 3.986 1.255 4.403 1.00 0.00 O ATOM 494 CB PHE A 34 2.988 -1.577 4.009 1.00 0.00 C ATOM 495 CG PHE A 34 1.694 -0.860 3.743 1.00 0.00 C ATOM 496 CD1 PHE A 34 1.289 -0.626 2.444 1.00 0.00 C ATOM 497 CD2 PHE A 34 0.903 -0.389 4.770 1.00 0.00 C ATOM 498 CE1 PHE A 34 0.123 0.058 2.175 1.00 0.00 C ATOM 499 CE2 PHE A 34 -0.251 0.293 4.506 1.00 0.00 C ATOM 500 CZ PHE A 34 -0.647 0.523 3.211 1.00 0.00 C ATOM 0 H PHE A 34 5.507 -0.940 4.920 1.00 0.00 H new ATOM 0 HA PHE A 34 4.226 -1.190 2.287 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.919 -2.604 3.652 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.168 -1.625 5.083 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.896 -0.985 1.626 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.199 -0.561 5.794 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.183 0.227 1.153 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.858 0.655 5.323 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.558 1.066 3.010 1.00 0.00 H new ATOM 510 N MET A 35 3.506 1.159 2.225 1.00 0.00 N ATOM 511 CA MET A 35 3.194 2.569 2.136 1.00 0.00 C ATOM 512 C MET A 35 2.008 2.784 1.211 1.00 0.00 C ATOM 513 O MET A 35 1.599 1.868 0.500 1.00 0.00 O ATOM 514 CB MET A 35 4.410 3.342 1.646 1.00 0.00 C ATOM 515 CG MET A 35 4.122 4.787 1.299 1.00 0.00 C ATOM 516 SD MET A 35 5.513 5.562 0.480 1.00 0.00 S ATOM 517 CE MET A 35 6.659 5.542 1.847 1.00 0.00 C ATOM 0 H MET A 35 3.409 0.646 1.349 1.00 0.00 H new ATOM 0 HA MET A 35 2.927 2.939 3.126 1.00 0.00 H new ATOM 0 HB2 MET A 35 5.182 3.311 2.415 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.816 2.842 0.767 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.245 4.838 0.654 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.882 5.338 2.208 1.00 0.00 H new ATOM 0 HE1 MET A 35 7.219 6.477 1.866 1.00 0.00 H new ATOM 0 HE2 MET A 35 6.109 5.430 2.781 1.00 0.00 H new ATOM 0 HE3 MET A 35 7.350 4.707 1.730 1.00 0.00 H new ATOM 527 N VAL A 36 1.451 3.985 1.223 1.00 0.00 N ATOM 528 CA VAL A 36 0.304 4.283 0.375 1.00 0.00 C ATOM 529 C VAL A 36 0.373 5.685 -0.197 1.00 0.00 C ATOM 530 O VAL A 36 0.946 6.591 0.406 1.00 0.00 O ATOM 531 CB VAL A 36 -1.028 4.107 1.123 1.00 0.00 C ATOM 532 CG1 VAL A 36 -2.198 4.555 0.261 1.00 0.00 C ATOM 533 CG2 VAL A 36 -1.195 2.658 1.549 1.00 0.00 C ATOM 0 H VAL A 36 1.769 4.762 1.803 1.00 0.00 H new ATOM 0 HA VAL A 36 0.344 3.565 -0.444 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.013 4.735 2.014 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.129 4.421 0.812 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.078 5.607 0.003 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.227 3.959 -0.651 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.141 2.541 2.078 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.191 2.017 0.668 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.373 2.375 2.207 1.00 0.00 H new ATOM 543 N ARG A 37 -0.211 5.851 -1.373 1.00 0.00 N ATOM 544 CA ARG A 37 -0.217 7.137 -2.043 1.00 0.00 C ATOM 545 C ARG A 37 -1.511 7.334 -2.825 1.00 0.00 C ATOM 546 O ARG A 37 -1.902 6.487 -3.630 1.00 0.00 O ATOM 547 CB ARG A 37 1.005 7.243 -2.958 1.00 0.00 C ATOM 548 CG ARG A 37 0.692 7.095 -4.435 1.00 0.00 C ATOM 549 CD ARG A 37 1.730 6.224 -5.120 1.00 0.00 C ATOM 550 NE ARG A 37 1.612 6.266 -6.577 1.00 0.00 N ATOM 551 CZ ARG A 37 1.714 7.379 -7.296 1.00 0.00 C ATOM 552 NH1 ARG A 37 1.949 8.539 -6.700 1.00 0.00 N ATOM 553 NH2 ARG A 37 1.585 7.331 -8.615 1.00 0.00 N ATOM 0 H ARG A 37 -0.688 5.107 -1.883 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.164 7.929 -1.296 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.484 8.208 -2.795 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.726 6.477 -2.673 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.298 6.656 -4.560 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.666 8.077 -4.906 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.727 6.553 -4.828 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.621 5.195 -4.778 1.00 0.00 H new ATOM 0 HE ARG A 37 1.441 5.390 -7.070 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.052 8.580 -5.686 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.027 9.391 -7.255 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.407 6.440 -9.078 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.663 8.185 -9.167 1.00 0.00 H new ATOM 567 N ASP A 38 -2.182 8.451 -2.564 1.00 0.00 N ATOM 568 CA ASP A 38 -3.444 8.762 -3.223 1.00 0.00 C ATOM 569 C ASP A 38 -3.272 8.872 -4.733 1.00 0.00 C ATOM 570 O ASP A 38 -2.220 9.284 -5.223 1.00 0.00 O ATOM 571 CB ASP A 38 -4.024 10.065 -2.669 1.00 0.00 C ATOM 572 CG ASP A 38 -5.063 10.673 -3.590 1.00 0.00 C ATOM 573 OD1 ASP A 38 -6.178 10.116 -3.677 1.00 0.00 O ATOM 574 OD2 ASP A 38 -4.762 11.706 -4.225 1.00 0.00 O ATOM 0 H ASP A 38 -1.871 9.158 -1.898 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.135 7.944 -3.019 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.474 9.874 -1.695 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.217 10.781 -2.513 1.00 0.00 H new ATOM 579 N SER A 39 -4.318 8.502 -5.464 1.00 0.00 N ATOM 580 CA SER A 39 -4.296 8.557 -6.919 1.00 0.00 C ATOM 581 C SER A 39 -5.510 9.315 -7.448 1.00 0.00 C ATOM 582 O SER A 39 -5.694 10.495 -7.153 1.00 0.00 O ATOM 583 CB SER A 39 -4.265 7.143 -7.502 1.00 0.00 C ATOM 584 OG SER A 39 -4.742 7.131 -8.836 1.00 0.00 O ATOM 0 H SER A 39 -5.194 8.160 -5.070 1.00 0.00 H new ATOM 0 HA SER A 39 -3.395 9.087 -7.228 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.246 6.757 -7.473 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.875 6.480 -6.888 1.00 0.00 H new ATOM 0 HG SER A 39 -4.941 6.210 -9.104 1.00 0.00 H new ATOM 590 N ARG A 40 -6.338 8.628 -8.230 1.00 0.00 N ATOM 591 CA ARG A 40 -7.536 9.236 -8.798 1.00 0.00 C ATOM 592 C ARG A 40 -8.647 8.202 -8.949 1.00 0.00 C ATOM 593 O ARG A 40 -8.777 7.291 -8.132 1.00 0.00 O ATOM 594 CB ARG A 40 -7.221 9.866 -10.157 1.00 0.00 C ATOM 595 CG ARG A 40 -5.737 10.086 -10.401 1.00 0.00 C ATOM 596 CD ARG A 40 -5.457 11.495 -10.897 1.00 0.00 C ATOM 597 NE ARG A 40 -5.300 12.441 -9.797 1.00 0.00 N ATOM 598 CZ ARG A 40 -4.409 13.427 -9.795 1.00 0.00 C ATOM 599 NH1 ARG A 40 -3.599 13.594 -10.832 1.00 0.00 N ATOM 600 NH2 ARG A 40 -4.327 14.247 -8.756 1.00 0.00 N ATOM 0 H ARG A 40 -6.201 7.650 -8.484 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.877 10.015 -8.116 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.618 9.226 -10.945 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.738 10.823 -10.232 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.185 9.908 -9.478 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.376 9.363 -11.133 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.552 11.492 -11.505 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.273 11.821 -11.542 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.908 12.340 -8.984 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.659 12.965 -11.633 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.916 14.351 -10.829 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.948 14.121 -7.957 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.643 15.003 -8.756 1.00 0.00 H new ATOM 614 N THR A 41 -9.442 8.346 -10.004 1.00 0.00 N ATOM 615 CA THR A 41 -10.536 7.423 -10.268 1.00 0.00 C ATOM 616 C THR A 41 -11.488 7.368 -9.070 1.00 0.00 C ATOM 617 O THR A 41 -11.507 8.290 -8.255 1.00 0.00 O ATOM 618 CB THR A 41 -9.956 6.049 -10.596 1.00 0.00 C ATOM 619 OG1 THR A 41 -10.823 5.315 -11.442 1.00 0.00 O ATOM 620 CG2 THR A 41 -9.665 5.212 -9.372 1.00 0.00 C ATOM 0 H THR A 41 -9.348 9.095 -10.690 1.00 0.00 H new ATOM 0 HA THR A 41 -11.118 7.767 -11.123 1.00 0.00 H new ATOM 0 HB THR A 41 -9.012 6.253 -11.101 1.00 0.00 H new ATOM 0 HG1 THR A 41 -10.491 4.398 -11.534 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.255 4.249 -9.678 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.943 5.729 -8.741 1.00 0.00 H new ATOM 0 HG23 THR A 41 -10.587 5.052 -8.813 1.00 0.00 H new ATOM 628 N PRO A 42 -12.301 6.303 -8.940 1.00 0.00 N ATOM 629 CA PRO A 42 -13.252 6.170 -7.834 1.00 0.00 C ATOM 630 C PRO A 42 -12.696 6.650 -6.493 1.00 0.00 C ATOM 631 O PRO A 42 -13.435 6.753 -5.514 1.00 0.00 O ATOM 632 CB PRO A 42 -13.520 4.670 -7.806 1.00 0.00 C ATOM 633 CG PRO A 42 -13.432 4.265 -9.236 1.00 0.00 C ATOM 634 CD PRO A 42 -12.377 5.147 -9.857 1.00 0.00 C ATOM 0 HA PRO A 42 -14.140 6.785 -7.983 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -12.786 4.144 -7.196 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.501 4.447 -7.387 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -13.163 3.213 -9.327 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -14.391 4.393 -9.737 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -11.419 4.633 -9.933 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -12.655 5.454 -10.865 1.00 0.00 H new ATOM 642 N GLY A 43 -11.400 6.952 -6.448 1.00 0.00 N ATOM 643 CA GLY A 43 -10.803 7.422 -5.211 1.00 0.00 C ATOM 644 C GLY A 43 -9.822 6.437 -4.619 1.00 0.00 C ATOM 645 O GLY A 43 -9.474 6.527 -3.441 1.00 0.00 O ATOM 0 H GLY A 43 -10.759 6.880 -7.238 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.293 8.368 -5.396 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.592 7.622 -4.486 1.00 0.00 H new ATOM 649 N THR A 44 -9.384 5.490 -5.430 1.00 0.00 N ATOM 650 CA THR A 44 -8.444 4.474 -4.975 1.00 0.00 C ATOM 651 C THR A 44 -7.139 5.094 -4.486 1.00 0.00 C ATOM 652 O THR A 44 -6.723 6.151 -4.960 1.00 0.00 O ATOM 653 CB THR A 44 -8.140 3.494 -6.105 1.00 0.00 C ATOM 654 OG1 THR A 44 -6.836 2.958 -5.967 1.00 0.00 O ATOM 655 CG2 THR A 44 -8.230 4.120 -7.476 1.00 0.00 C ATOM 0 H THR A 44 -9.663 5.401 -6.407 1.00 0.00 H new ATOM 0 HA THR A 44 -8.910 3.948 -4.142 1.00 0.00 H new ATOM 0 HB THR A 44 -8.899 2.716 -6.024 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.715 2.623 -5.054 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.003 3.370 -8.234 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.238 4.503 -7.636 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.514 4.939 -7.550 1.00 0.00 H new ATOM 663 N TYR A 45 -6.487 4.409 -3.552 1.00 0.00 N ATOM 664 CA TYR A 45 -5.213 4.864 -3.011 1.00 0.00 C ATOM 665 C TYR A 45 -4.096 3.932 -3.459 1.00 0.00 C ATOM 666 O TYR A 45 -4.347 2.788 -3.834 1.00 0.00 O ATOM 667 CB TYR A 45 -5.244 4.907 -1.485 1.00 0.00 C ATOM 668 CG TYR A 45 -6.302 5.812 -0.911 1.00 0.00 C ATOM 669 CD1 TYR A 45 -7.645 5.536 -1.098 1.00 0.00 C ATOM 670 CD2 TYR A 45 -5.956 6.929 -0.166 1.00 0.00 C ATOM 671 CE1 TYR A 45 -8.623 6.352 -0.564 1.00 0.00 C ATOM 672 CE2 TYR A 45 -6.924 7.752 0.376 1.00 0.00 C ATOM 673 CZ TYR A 45 -8.257 7.460 0.173 1.00 0.00 C ATOM 674 OH TYR A 45 -9.226 8.276 0.710 1.00 0.00 O ATOM 0 H TYR A 45 -6.823 3.532 -3.153 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.032 5.871 -3.386 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.403 3.897 -1.108 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.269 5.232 -1.123 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.933 4.667 -1.671 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.913 7.159 -0.007 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.667 6.125 -0.722 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.639 8.618 0.955 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.192 8.225 1.688 1.00 0.00 H new ATOM 684 N THR A 46 -2.864 4.414 -3.416 1.00 0.00 N ATOM 685 CA THR A 46 -1.722 3.598 -3.814 1.00 0.00 C ATOM 686 C THR A 46 -1.032 3.015 -2.587 1.00 0.00 C ATOM 687 O THR A 46 -1.011 3.640 -1.530 1.00 0.00 O ATOM 688 CB THR A 46 -0.726 4.420 -4.627 1.00 0.00 C ATOM 689 OG1 THR A 46 -1.400 5.256 -5.552 1.00 0.00 O ATOM 690 CG2 THR A 46 0.244 3.559 -5.404 1.00 0.00 C ATOM 0 H THR A 46 -2.627 5.359 -3.112 1.00 0.00 H new ATOM 0 HA THR A 46 -2.090 2.782 -4.436 1.00 0.00 H new ATOM 0 HB THR A 46 -0.169 5.013 -3.902 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.941 5.912 -5.066 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.929 4.196 -5.964 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.811 2.936 -4.713 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.308 2.923 -6.097 1.00 0.00 H new ATOM 698 N VAL A 47 -0.467 1.819 -2.731 1.00 0.00 N ATOM 699 CA VAL A 47 0.224 1.166 -1.625 1.00 0.00 C ATOM 700 C VAL A 47 1.641 0.780 -2.014 1.00 0.00 C ATOM 701 O VAL A 47 1.848 -0.112 -2.834 1.00 0.00 O ATOM 702 CB VAL A 47 -0.505 -0.105 -1.148 1.00 0.00 C ATOM 703 CG1 VAL A 47 0.416 -0.939 -0.267 1.00 0.00 C ATOM 704 CG2 VAL A 47 -1.782 0.253 -0.406 1.00 0.00 C ATOM 0 H VAL A 47 -0.474 1.285 -3.600 1.00 0.00 H new ATOM 0 HA VAL A 47 0.240 1.893 -0.813 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.779 -0.697 -2.021 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.110 -1.834 0.064 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.301 -1.227 -0.835 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.717 -0.353 0.601 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.280 -0.659 -0.078 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.539 0.865 0.462 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.444 0.810 -1.069 1.00 0.00 H new ATOM 714 N SER A 48 2.617 1.437 -1.405 1.00 0.00 N ATOM 715 CA SER A 48 4.008 1.133 -1.679 1.00 0.00 C ATOM 716 C SER A 48 4.490 0.059 -0.713 1.00 0.00 C ATOM 717 O SER A 48 4.642 0.308 0.485 1.00 0.00 O ATOM 718 CB SER A 48 4.877 2.393 -1.566 1.00 0.00 C ATOM 719 OG SER A 48 4.564 3.321 -2.590 1.00 0.00 O ATOM 0 H SER A 48 2.470 2.180 -0.722 1.00 0.00 H new ATOM 0 HA SER A 48 4.095 0.763 -2.700 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.725 2.857 -0.591 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.930 2.119 -1.628 1.00 0.00 H new ATOM 0 HG SER A 48 4.744 2.917 -3.464 1.00 0.00 H new ATOM 725 N VAL A 49 4.715 -1.137 -1.241 1.00 0.00 N ATOM 726 CA VAL A 49 5.170 -2.260 -0.433 1.00 0.00 C ATOM 727 C VAL A 49 6.564 -2.686 -0.862 1.00 0.00 C ATOM 728 O VAL A 49 6.784 -3.025 -2.024 1.00 0.00 O ATOM 729 CB VAL A 49 4.214 -3.462 -0.552 1.00 0.00 C ATOM 730 CG1 VAL A 49 2.795 -3.054 -0.188 1.00 0.00 C ATOM 731 CG2 VAL A 49 4.265 -4.048 -1.955 1.00 0.00 C ATOM 0 H VAL A 49 4.589 -1.354 -2.230 1.00 0.00 H new ATOM 0 HA VAL A 49 5.188 -1.931 0.606 1.00 0.00 H new ATOM 0 HB VAL A 49 4.537 -4.231 0.150 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.134 -3.916 -0.278 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.774 -2.686 0.838 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.458 -2.267 -0.863 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.583 -4.896 -2.020 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.969 -3.288 -2.678 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.280 -4.381 -2.174 1.00 0.00 H new ATOM 741 N PHE A 50 7.513 -2.653 0.066 1.00 0.00 N ATOM 742 CA PHE A 50 8.883 -3.023 -0.263 1.00 0.00 C ATOM 743 C PHE A 50 9.487 -3.977 0.768 1.00 0.00 C ATOM 744 O PHE A 50 9.214 -3.879 1.973 1.00 0.00 O ATOM 745 CB PHE A 50 9.736 -1.762 -0.419 1.00 0.00 C ATOM 746 CG PHE A 50 10.786 -1.581 0.634 1.00 0.00 C ATOM 747 CD1 PHE A 50 12.047 -2.131 0.475 1.00 0.00 C ATOM 748 CD2 PHE A 50 10.518 -0.842 1.773 1.00 0.00 C ATOM 749 CE1 PHE A 50 13.020 -1.950 1.435 1.00 0.00 C ATOM 750 CE2 PHE A 50 11.489 -0.654 2.736 1.00 0.00 C ATOM 751 CZ PHE A 50 12.741 -1.209 2.566 1.00 0.00 C ATOM 0 H PHE A 50 7.363 -2.379 1.037 1.00 0.00 H new ATOM 0 HA PHE A 50 8.869 -3.562 -1.210 1.00 0.00 H new ATOM 0 HB2 PHE A 50 10.220 -1.786 -1.395 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.079 -0.892 -0.411 1.00 0.00 H new ATOM 0 HD1 PHE A 50 12.271 -2.708 -0.410 1.00 0.00 H new ATOM 0 HD2 PHE A 50 9.539 -0.408 1.910 1.00 0.00 H new ATOM 0 HE1 PHE A 50 13.999 -2.387 1.302 1.00 0.00 H new ATOM 0 HE2 PHE A 50 11.269 -0.074 3.620 1.00 0.00 H new ATOM 0 HZ PHE A 50 13.503 -1.064 3.318 1.00 0.00 H new ATOM 761 N THR A 51 10.301 -4.914 0.273 1.00 0.00 N ATOM 762 CA THR A 51 10.940 -5.908 1.127 1.00 0.00 C ATOM 763 C THR A 51 12.349 -6.239 0.657 1.00 0.00 C ATOM 764 O THR A 51 12.533 -7.010 -0.285 1.00 0.00 O ATOM 765 CB THR A 51 10.113 -7.191 1.132 1.00 0.00 C ATOM 766 OG1 THR A 51 8.861 -6.991 1.759 1.00 0.00 O ATOM 767 CG2 THR A 51 10.804 -8.342 1.826 1.00 0.00 C ATOM 0 H THR A 51 10.531 -5.001 -0.717 1.00 0.00 H new ATOM 0 HA THR A 51 11.001 -5.485 2.130 1.00 0.00 H new ATOM 0 HB THR A 51 9.980 -7.448 0.081 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.188 -6.770 1.082 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.163 -9.223 1.795 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.745 -8.559 1.321 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.003 -8.075 2.864 1.00 0.00 H new ATOM 775 N LYS A 52 13.344 -5.679 1.333 1.00 0.00 N ATOM 776 CA LYS A 52 14.727 -5.948 0.994 1.00 0.00 C ATOM 777 C LYS A 52 14.882 -7.360 0.429 1.00 0.00 C ATOM 778 O LYS A 52 14.800 -8.353 1.152 1.00 0.00 O ATOM 779 CB LYS A 52 15.620 -5.777 2.224 1.00 0.00 C ATOM 780 CG LYS A 52 15.627 -4.362 2.779 1.00 0.00 C ATOM 781 CD LYS A 52 17.038 -3.804 2.864 1.00 0.00 C ATOM 782 CE LYS A 52 17.644 -3.607 1.484 1.00 0.00 C ATOM 783 NZ LYS A 52 19.094 -3.276 1.555 1.00 0.00 N ATOM 0 H LYS A 52 13.215 -5.038 2.116 1.00 0.00 H new ATOM 0 HA LYS A 52 15.034 -5.233 0.231 1.00 0.00 H new ATOM 0 HB2 LYS A 52 15.286 -6.462 3.003 1.00 0.00 H new ATOM 0 HB3 LYS A 52 16.640 -6.062 1.965 1.00 0.00 H new ATOM 0 HG2 LYS A 52 15.018 -3.718 2.145 1.00 0.00 H new ATOM 0 HG3 LYS A 52 15.172 -4.356 3.770 1.00 0.00 H new ATOM 0 HD2 LYS A 52 17.022 -2.852 3.395 1.00 0.00 H new ATOM 0 HD3 LYS A 52 17.664 -4.482 3.444 1.00 0.00 H new ATOM 0 HE2 LYS A 52 17.507 -4.514 0.895 1.00 0.00 H new ATOM 0 HE3 LYS A 52 17.114 -2.808 0.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 19.469 -3.150 0.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 19.223 -2.397 2.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 19.604 -4.050 2.026 1.00 0.00 H new ATOM 797 N ALA A 53 15.124 -7.421 -0.877 1.00 0.00 N ATOM 798 CA ALA A 53 15.314 -8.687 -1.568 1.00 0.00 C ATOM 799 C ALA A 53 15.238 -8.519 -3.081 1.00 0.00 C ATOM 800 O ALA A 53 14.163 -8.620 -3.673 1.00 0.00 O ATOM 801 CB ALA A 53 14.282 -9.700 -1.097 1.00 0.00 C ATOM 0 H ALA A 53 15.193 -6.601 -1.479 1.00 0.00 H new ATOM 0 HA ALA A 53 16.312 -9.052 -1.326 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.433 -10.644 -1.621 1.00 0.00 H new ATOM 0 HB2 ALA A 53 14.391 -9.859 -0.024 1.00 0.00 H new ATOM 0 HB3 ALA A 53 13.281 -9.324 -1.308 1.00 0.00 H new ATOM 807 N ILE A 54 16.387 -8.270 -3.701 1.00 0.00 N ATOM 808 CA ILE A 54 16.456 -8.095 -5.147 1.00 0.00 C ATOM 809 C ILE A 54 17.902 -8.080 -5.629 1.00 0.00 C ATOM 810 O ILE A 54 18.464 -7.020 -5.906 1.00 0.00 O ATOM 811 CB ILE A 54 15.766 -6.792 -5.593 1.00 0.00 C ATOM 812 CG1 ILE A 54 14.341 -6.730 -5.043 1.00 0.00 C ATOM 813 CG2 ILE A 54 15.759 -6.689 -7.111 1.00 0.00 C ATOM 814 CD1 ILE A 54 13.549 -5.545 -5.547 1.00 0.00 C ATOM 0 H ILE A 54 17.284 -8.185 -3.224 1.00 0.00 H new ATOM 0 HA ILE A 54 15.934 -8.942 -5.591 1.00 0.00 H new ATOM 0 HB ILE A 54 16.326 -5.947 -5.194 1.00 0.00 H new ATOM 0 HG12 ILE A 54 13.817 -7.647 -5.311 1.00 0.00 H new ATOM 0 HG13 ILE A 54 14.382 -6.693 -3.954 1.00 0.00 H new ATOM 0 HG21 ILE A 54 15.268 -5.763 -7.411 1.00 0.00 H new ATOM 0 HG22 ILE A 54 16.784 -6.692 -7.481 1.00 0.00 H new ATOM 0 HG23 ILE A 54 15.219 -7.538 -7.531 1.00 0.00 H new ATOM 0 HD11 ILE A 54 12.548 -5.566 -5.115 1.00 0.00 H new ATOM 0 HD12 ILE A 54 14.050 -4.622 -5.256 1.00 0.00 H new ATOM 0 HD13 ILE A 54 13.476 -5.591 -6.634 1.00 0.00 H new ATOM 826 N ILE A 55 18.500 -9.263 -5.727 1.00 0.00 N ATOM 827 CA ILE A 55 19.882 -9.387 -6.175 1.00 0.00 C ATOM 828 C ILE A 55 20.197 -8.374 -7.270 1.00 0.00 C ATOM 829 O ILE A 55 21.269 -7.767 -7.279 1.00 0.00 O ATOM 830 CB ILE A 55 20.178 -10.804 -6.702 1.00 0.00 C ATOM 831 CG1 ILE A 55 19.872 -11.846 -5.625 1.00 0.00 C ATOM 832 CG2 ILE A 55 21.626 -10.909 -7.154 1.00 0.00 C ATOM 833 CD1 ILE A 55 20.842 -11.818 -4.464 1.00 0.00 C ATOM 0 H ILE A 55 18.049 -10.150 -5.502 1.00 0.00 H new ATOM 0 HA ILE A 55 20.514 -9.191 -5.309 1.00 0.00 H new ATOM 0 HB ILE A 55 19.536 -10.998 -7.561 1.00 0.00 H new ATOM 0 HG12 ILE A 55 18.862 -11.682 -5.248 1.00 0.00 H new ATOM 0 HG13 ILE A 55 19.886 -12.838 -6.076 1.00 0.00 H new ATOM 0 HG21 ILE A 55 21.820 -11.916 -7.524 1.00 0.00 H new ATOM 0 HG22 ILE A 55 21.812 -10.188 -7.950 1.00 0.00 H new ATOM 0 HG23 ILE A 55 22.286 -10.698 -6.313 1.00 0.00 H new ATOM 0 HD11 ILE A 55 20.564 -12.583 -3.739 1.00 0.00 H new ATOM 0 HD12 ILE A 55 21.851 -12.012 -4.828 1.00 0.00 H new ATOM 0 HD13 ILE A 55 20.811 -10.838 -3.987 1.00 0.00 H new ATOM 845 N SER A 56 19.257 -8.195 -8.193 1.00 0.00 N ATOM 846 CA SER A 56 19.436 -7.255 -9.293 1.00 0.00 C ATOM 847 C SER A 56 19.449 -5.818 -8.782 1.00 0.00 C ATOM 848 O SER A 56 20.394 -5.068 -9.030 1.00 0.00 O ATOM 849 CB SER A 56 18.322 -7.431 -10.327 1.00 0.00 C ATOM 850 OG SER A 56 17.141 -7.932 -9.725 1.00 0.00 O ATOM 0 H SER A 56 18.364 -8.688 -8.201 1.00 0.00 H new ATOM 0 HA SER A 56 20.396 -7.463 -9.765 1.00 0.00 H new ATOM 0 HB2 SER A 56 18.112 -6.475 -10.806 1.00 0.00 H new ATOM 0 HB3 SER A 56 18.653 -8.114 -11.110 1.00 0.00 H new ATOM 0 HG SER A 56 16.444 -8.034 -10.407 1.00 0.00 H new ATOM 856 N GLU A 57 18.395 -5.441 -8.067 1.00 0.00 N ATOM 857 CA GLU A 57 18.283 -4.095 -7.519 1.00 0.00 C ATOM 858 C GLU A 57 17.437 -4.095 -6.249 1.00 0.00 C ATOM 859 O GLU A 57 16.231 -3.849 -6.294 1.00 0.00 O ATOM 860 CB GLU A 57 17.671 -3.150 -8.555 1.00 0.00 C ATOM 861 CG GLU A 57 16.642 -2.193 -7.975 1.00 0.00 C ATOM 862 CD GLU A 57 16.367 -1.011 -8.884 1.00 0.00 C ATOM 863 OE1 GLU A 57 16.000 -1.237 -10.056 1.00 0.00 O ATOM 864 OE2 GLU A 57 16.520 0.140 -8.425 1.00 0.00 O ATOM 0 H GLU A 57 17.605 -6.050 -7.853 1.00 0.00 H new ATOM 0 HA GLU A 57 19.284 -3.746 -7.267 1.00 0.00 H new ATOM 0 HB2 GLU A 57 18.468 -2.573 -9.023 1.00 0.00 H new ATOM 0 HB3 GLU A 57 17.202 -3.741 -9.341 1.00 0.00 H new ATOM 0 HG2 GLU A 57 15.712 -2.732 -7.794 1.00 0.00 H new ATOM 0 HG3 GLU A 57 16.993 -1.830 -7.009 1.00 0.00 H new ATOM 871 N ASN A 58 18.076 -4.376 -5.118 1.00 0.00 N ATOM 872 CA ASN A 58 17.381 -4.410 -3.836 1.00 0.00 C ATOM 873 C ASN A 58 17.594 -3.111 -3.066 1.00 0.00 C ATOM 874 O ASN A 58 18.483 -2.323 -3.391 1.00 0.00 O ATOM 875 CB ASN A 58 17.865 -5.596 -3.002 1.00 0.00 C ATOM 876 CG ASN A 58 19.347 -5.863 -3.180 1.00 0.00 C ATOM 877 OD1 ASN A 58 19.866 -5.828 -4.296 1.00 0.00 O ATOM 878 ND2 ASN A 58 20.037 -6.131 -2.078 1.00 0.00 N ATOM 0 H ASN A 58 19.073 -4.583 -5.063 1.00 0.00 H new ATOM 0 HA ASN A 58 16.315 -4.523 -4.032 1.00 0.00 H new ATOM 0 HB2 ASN A 58 17.657 -5.405 -1.949 1.00 0.00 H new ATOM 0 HB3 ASN A 58 17.302 -6.487 -3.281 1.00 0.00 H new ATOM 0 HD21 ASN A 58 21.038 -6.318 -2.136 1.00 0.00 H new ATOM 0 HD22 ASN A 58 19.566 -6.150 -1.173 1.00 0.00 H new ATOM 885 N PRO A 59 16.774 -2.871 -2.031 1.00 0.00 N ATOM 886 CA PRO A 59 15.710 -3.797 -1.630 1.00 0.00 C ATOM 887 C PRO A 59 14.587 -3.872 -2.659 1.00 0.00 C ATOM 888 O PRO A 59 14.762 -3.485 -3.814 1.00 0.00 O ATOM 889 CB PRO A 59 15.196 -3.203 -0.317 1.00 0.00 C ATOM 890 CG PRO A 59 15.540 -1.758 -0.393 1.00 0.00 C ATOM 891 CD PRO A 59 16.824 -1.677 -1.172 1.00 0.00 C ATOM 0 HA PRO A 59 16.075 -4.820 -1.535 1.00 0.00 H new ATOM 0 HB2 PRO A 59 14.121 -3.349 -0.211 1.00 0.00 H new ATOM 0 HB3 PRO A 59 15.668 -3.677 0.543 1.00 0.00 H new ATOM 0 HG2 PRO A 59 14.748 -1.194 -0.886 1.00 0.00 H new ATOM 0 HG3 PRO A 59 15.661 -1.333 0.603 1.00 0.00 H new ATOM 0 HD2 PRO A 59 16.881 -0.761 -1.760 1.00 0.00 H new ATOM 0 HD3 PRO A 59 17.694 -1.690 -0.516 1.00 0.00 H new ATOM 899 N CYS A 60 13.435 -4.381 -2.234 1.00 0.00 N ATOM 900 CA CYS A 60 12.286 -4.518 -3.124 1.00 0.00 C ATOM 901 C CYS A 60 11.152 -3.582 -2.724 1.00 0.00 C ATOM 902 O CYS A 60 10.704 -3.596 -1.581 1.00 0.00 O ATOM 903 CB CYS A 60 11.782 -5.964 -3.111 1.00 0.00 C ATOM 904 SG CYS A 60 10.494 -6.308 -4.332 1.00 0.00 S ATOM 0 H CYS A 60 13.272 -4.705 -1.281 1.00 0.00 H new ATOM 0 HA CYS A 60 12.612 -4.249 -4.128 1.00 0.00 H new ATOM 0 HB2 CYS A 60 12.624 -6.633 -3.289 1.00 0.00 H new ATOM 0 HB3 CYS A 60 11.397 -6.194 -2.118 1.00 0.00 H new ATOM 0 HG CYS A 60 10.539 -5.413 -5.274 1.00 0.00 H new ATOM 910 N ILE A 61 10.679 -2.787 -3.683 1.00 0.00 N ATOM 911 CA ILE A 61 9.576 -1.861 -3.441 1.00 0.00 C ATOM 912 C ILE A 61 8.517 -1.990 -4.528 1.00 0.00 C ATOM 913 O ILE A 61 8.785 -1.743 -5.704 1.00 0.00 O ATOM 914 CB ILE A 61 10.040 -0.391 -3.381 1.00 0.00 C ATOM 915 CG1 ILE A 61 11.399 -0.276 -2.687 1.00 0.00 C ATOM 916 CG2 ILE A 61 8.996 0.461 -2.666 1.00 0.00 C ATOM 917 CD1 ILE A 61 11.322 0.300 -1.290 1.00 0.00 C ATOM 0 H ILE A 61 11.044 -2.766 -4.635 1.00 0.00 H new ATOM 0 HA ILE A 61 9.160 -2.131 -2.471 1.00 0.00 H new ATOM 0 HB ILE A 61 10.152 -0.022 -4.401 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.857 -1.264 -2.638 1.00 0.00 H new ATOM 0 HG13 ILE A 61 12.055 0.350 -3.293 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.334 1.497 -2.630 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.051 0.407 -3.206 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.856 0.089 -1.651 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.323 0.351 -0.862 1.00 0.00 H new ATOM 0 HD12 ILE A 61 10.894 1.302 -1.332 1.00 0.00 H new ATOM 0 HD13 ILE A 61 10.693 -0.337 -0.668 1.00 0.00 H new ATOM 929 N LYS A 62 7.315 -2.376 -4.126 1.00 0.00 N ATOM 930 CA LYS A 62 6.210 -2.539 -5.060 1.00 0.00 C ATOM 931 C LYS A 62 5.114 -1.523 -4.778 1.00 0.00 C ATOM 932 O LYS A 62 4.952 -1.071 -3.644 1.00 0.00 O ATOM 933 CB LYS A 62 5.632 -3.947 -4.956 1.00 0.00 C ATOM 934 CG LYS A 62 4.936 -4.417 -6.223 1.00 0.00 C ATOM 935 CD LYS A 62 4.993 -5.929 -6.361 1.00 0.00 C ATOM 936 CE LYS A 62 4.199 -6.408 -7.566 1.00 0.00 C ATOM 937 NZ LYS A 62 2.849 -6.904 -7.181 1.00 0.00 N ATOM 0 H LYS A 62 7.079 -2.583 -3.155 1.00 0.00 H new ATOM 0 HA LYS A 62 6.593 -2.378 -6.068 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.435 -4.643 -4.714 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.923 -3.979 -4.129 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.896 -4.091 -6.211 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.405 -3.953 -7.091 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.031 -6.248 -6.457 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.600 -6.393 -5.457 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.095 -5.591 -8.280 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.748 -7.204 -8.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.753 -7.902 -7.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.728 -6.818 -6.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.121 -6.339 -7.663 1.00 0.00 H new ATOM 951 N HIS A 63 4.357 -1.170 -5.809 1.00 0.00 N ATOM 952 CA HIS A 63 3.279 -0.215 -5.654 1.00 0.00 C ATOM 953 C HIS A 63 1.925 -0.880 -5.876 1.00 0.00 C ATOM 954 O HIS A 63 1.566 -1.225 -7.002 1.00 0.00 O ATOM 955 CB HIS A 63 3.464 0.935 -6.640 1.00 0.00 C ATOM 956 CG HIS A 63 4.752 1.675 -6.456 1.00 0.00 C ATOM 957 ND1 HIS A 63 4.981 2.577 -5.441 1.00 0.00 N ATOM 958 CD2 HIS A 63 5.898 1.628 -7.182 1.00 0.00 C ATOM 959 CE1 HIS A 63 6.231 3.040 -5.578 1.00 0.00 C ATOM 960 NE2 HIS A 63 6.831 2.494 -6.619 1.00 0.00 N ATOM 0 H HIS A 63 4.472 -1.531 -6.756 1.00 0.00 H new ATOM 0 HA HIS A 63 3.305 0.172 -4.636 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.421 0.543 -7.656 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.634 1.633 -6.532 1.00 0.00 H new ATOM 0 HD2 HIS A 63 6.060 1.016 -8.057 1.00 0.00 H new ATOM 0 HE1 HIS A 63 6.688 3.766 -4.922 1.00 0.00 H new ATOM 0 HE2 HIS A 63 7.782 2.670 -6.944 1.00 0.00 H new ATOM 968 N TYR A 64 1.178 -1.046 -4.792 1.00 0.00 N ATOM 969 CA TYR A 64 -0.142 -1.658 -4.854 1.00 0.00 C ATOM 970 C TYR A 64 -1.231 -0.607 -4.724 1.00 0.00 C ATOM 971 O TYR A 64 -1.341 0.057 -3.694 1.00 0.00 O ATOM 972 CB TYR A 64 -0.296 -2.691 -3.745 1.00 0.00 C ATOM 973 CG TYR A 64 0.547 -3.908 -3.980 1.00 0.00 C ATOM 974 CD1 TYR A 64 1.926 -3.807 -4.016 1.00 0.00 C ATOM 975 CD2 TYR A 64 -0.030 -5.152 -4.187 1.00 0.00 C ATOM 976 CE1 TYR A 64 2.710 -4.908 -4.250 1.00 0.00 C ATOM 977 CE2 TYR A 64 0.751 -6.265 -4.420 1.00 0.00 C ATOM 978 CZ TYR A 64 2.123 -6.138 -4.452 1.00 0.00 C ATOM 979 OH TYR A 64 2.909 -7.243 -4.687 1.00 0.00 O ATOM 0 H TYR A 64 1.466 -0.764 -3.855 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.242 -2.149 -5.822 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -0.022 -2.240 -2.791 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.343 -2.986 -3.669 1.00 0.00 H new ATOM 0 HD1 TYR A 64 2.393 -2.846 -3.857 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -1.105 -5.251 -4.165 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.785 -4.811 -4.276 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.290 -7.229 -4.576 1.00 0.00 H new ATOM 0 HH TYR A 64 2.349 -7.980 -5.010 1.00 0.00 H new ATOM 989 N HIS A 65 -2.044 -0.461 -5.760 1.00 0.00 N ATOM 990 CA HIS A 65 -3.124 0.509 -5.719 1.00 0.00 C ATOM 991 C HIS A 65 -4.376 -0.118 -5.152 1.00 0.00 C ATOM 992 O HIS A 65 -4.666 -1.287 -5.405 1.00 0.00 O ATOM 993 CB HIS A 65 -3.429 1.081 -7.097 1.00 0.00 C ATOM 994 CG HIS A 65 -3.696 2.541 -7.056 1.00 0.00 C ATOM 995 ND1 HIS A 65 -3.652 3.282 -5.908 1.00 0.00 N ATOM 996 CD2 HIS A 65 -4.023 3.397 -8.046 1.00 0.00 C ATOM 997 CE1 HIS A 65 -3.950 4.543 -6.223 1.00 0.00 C ATOM 998 NE2 HIS A 65 -4.183 4.671 -7.514 1.00 0.00 N ATOM 0 H HIS A 65 -1.977 -0.994 -6.627 1.00 0.00 H new ATOM 0 HA HIS A 65 -2.795 1.325 -5.076 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.588 0.887 -7.763 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.294 0.568 -7.517 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -3.430 2.932 -4.976 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.142 3.134 -9.087 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -3.995 5.355 -5.512 1.00 0.00 H new ATOM 1006 N ILE A 66 -5.128 0.665 -4.400 1.00 0.00 N ATOM 1007 CA ILE A 66 -6.361 0.165 -3.823 1.00 0.00 C ATOM 1008 C ILE A 66 -7.516 0.454 -4.757 1.00 0.00 C ATOM 1009 O ILE A 66 -7.980 1.586 -4.851 1.00 0.00 O ATOM 1010 CB ILE A 66 -6.659 0.795 -2.447 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -5.439 1.546 -1.916 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -7.091 -0.277 -1.461 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -4.133 0.822 -2.152 1.00 0.00 C ATOM 0 H ILE A 66 -4.911 1.636 -4.177 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.240 -0.909 -3.683 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.472 1.511 -2.567 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.392 2.527 -2.390 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.563 1.714 -0.846 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.298 0.181 -0.494 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -7.991 -0.769 -1.830 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.294 -1.013 -1.351 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.311 1.414 -1.749 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.160 -0.148 -1.655 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.985 0.677 -3.222 1.00 0.00 H new ATOM 1025 N LYS A 67 -7.987 -0.577 -5.440 1.00 0.00 N ATOM 1026 CA LYS A 67 -9.095 -0.422 -6.360 1.00 0.00 C ATOM 1027 C LYS A 67 -10.392 -0.285 -5.581 1.00 0.00 C ATOM 1028 O LYS A 67 -10.492 -0.784 -4.462 1.00 0.00 O ATOM 1029 CB LYS A 67 -9.169 -1.613 -7.316 1.00 0.00 C ATOM 1030 CG LYS A 67 -10.050 -1.364 -8.530 1.00 0.00 C ATOM 1031 CD LYS A 67 -9.257 -1.468 -9.824 1.00 0.00 C ATOM 1032 CE LYS A 67 -8.464 -0.199 -10.097 1.00 0.00 C ATOM 1033 NZ LYS A 67 -8.339 0.653 -8.884 1.00 0.00 N ATOM 0 H LYS A 67 -7.619 -1.526 -5.373 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.940 0.480 -6.952 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.162 -1.861 -7.653 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.547 -2.480 -6.775 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.866 -2.086 -8.543 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.501 -0.374 -8.457 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.577 -2.318 -9.768 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.937 -1.659 -10.654 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.470 -0.463 -10.458 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.951 0.369 -10.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.735 1.473 -9.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.281 0.983 -8.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.913 0.100 -8.113 1.00 0.00 H new ATOM 1047 N GLU A 68 -11.375 0.391 -6.174 1.00 0.00 N ATOM 1048 CA GLU A 68 -12.669 0.602 -5.527 1.00 0.00 C ATOM 1049 C GLU A 68 -13.775 -0.117 -6.292 1.00 0.00 C ATOM 1050 O GLU A 68 -13.824 -0.075 -7.521 1.00 0.00 O ATOM 1051 CB GLU A 68 -12.992 2.100 -5.463 1.00 0.00 C ATOM 1052 CG GLU A 68 -11.932 2.938 -4.762 1.00 0.00 C ATOM 1053 CD GLU A 68 -12.506 4.191 -4.132 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -13.718 4.440 -4.302 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -11.744 4.925 -3.468 1.00 0.00 O ATOM 0 H GLU A 68 -11.299 0.803 -7.104 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.612 0.198 -4.516 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -13.123 2.475 -6.478 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.943 2.233 -4.948 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.449 2.337 -3.992 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.160 3.217 -5.480 1.00 0.00 H new ATOM 1062 N THR A 69 -14.664 -0.772 -5.553 1.00 0.00 N ATOM 1063 CA THR A 69 -15.774 -1.498 -6.152 1.00 0.00 C ATOM 1064 C THR A 69 -17.057 -1.231 -5.374 1.00 0.00 C ATOM 1065 O THR A 69 -17.371 -1.936 -4.416 1.00 0.00 O ATOM 1066 CB THR A 69 -15.479 -2.999 -6.176 1.00 0.00 C ATOM 1067 OG1 THR A 69 -16.552 -3.730 -5.609 1.00 0.00 O ATOM 1068 CG2 THR A 69 -14.220 -3.373 -5.424 1.00 0.00 C ATOM 0 H THR A 69 -14.636 -0.814 -4.534 1.00 0.00 H new ATOM 0 HA THR A 69 -15.903 -1.151 -7.177 1.00 0.00 H new ATOM 0 HB THR A 69 -15.343 -3.250 -7.228 1.00 0.00 H new ATOM 0 HG1 THR A 69 -16.719 -3.412 -4.697 1.00 0.00 H new ATOM 0 HG21 THR A 69 -14.069 -4.451 -5.480 1.00 0.00 H new ATOM 0 HG22 THR A 69 -13.365 -2.863 -5.869 1.00 0.00 H new ATOM 0 HG23 THR A 69 -14.317 -3.074 -4.380 1.00 0.00 H new ATOM 1076 N ASN A 70 -17.786 -0.202 -5.789 1.00 0.00 N ATOM 1077 CA ASN A 70 -19.031 0.175 -5.130 1.00 0.00 C ATOM 1078 C ASN A 70 -19.709 -1.030 -4.486 1.00 0.00 C ATOM 1079 O ASN A 70 -20.670 -1.575 -5.029 1.00 0.00 O ATOM 1080 CB ASN A 70 -19.982 0.830 -6.133 1.00 0.00 C ATOM 1081 CG ASN A 70 -19.720 0.381 -7.557 1.00 0.00 C ATOM 1082 OD1 ASN A 70 -18.760 1.022 -8.213 1.00 0.00 O flip ATOM 1083 ND2 ASN A 70 -20.372 -0.533 -8.062 1.00 0.00 N flip ATOM 0 H ASN A 70 -17.535 0.388 -6.582 1.00 0.00 H new ATOM 0 HA ASN A 70 -18.787 0.888 -4.342 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -21.011 0.591 -5.863 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -19.880 1.913 -6.072 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -21.101 -0.998 -7.521 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -20.183 -0.825 -9.021 1.00 0.00 H new ATOM 1090 N ASP A 71 -19.213 -1.439 -3.320 1.00 0.00 N ATOM 1091 CA ASP A 71 -19.789 -2.572 -2.609 1.00 0.00 C ATOM 1092 C ASP A 71 -20.543 -2.100 -1.369 1.00 0.00 C ATOM 1093 O ASP A 71 -21.009 -0.962 -1.316 1.00 0.00 O ATOM 1094 CB ASP A 71 -18.703 -3.577 -2.225 1.00 0.00 C ATOM 1095 CG ASP A 71 -19.261 -4.964 -1.971 1.00 0.00 C ATOM 1096 OD1 ASP A 71 -20.468 -5.071 -1.668 1.00 0.00 O ATOM 1097 OD2 ASP A 71 -18.492 -5.942 -2.075 1.00 0.00 O ATOM 0 H ASP A 71 -18.418 -1.004 -2.852 1.00 0.00 H new ATOM 0 HA ASP A 71 -20.496 -3.069 -3.274 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -17.961 -3.627 -3.022 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -18.188 -3.227 -1.331 1.00 0.00 H new ATOM 1102 N SER A 72 -20.667 -2.974 -0.377 1.00 0.00 N ATOM 1103 CA SER A 72 -21.375 -2.629 0.851 1.00 0.00 C ATOM 1104 C SER A 72 -20.668 -3.190 2.081 1.00 0.00 C ATOM 1105 O SER A 72 -21.174 -4.099 2.739 1.00 0.00 O ATOM 1106 CB SER A 72 -22.812 -3.149 0.796 1.00 0.00 C ATOM 1107 OG SER A 72 -23.741 -2.112 1.059 1.00 0.00 O ATOM 0 H SER A 72 -20.289 -3.921 -0.398 1.00 0.00 H new ATOM 0 HA SER A 72 -21.385 -1.542 0.933 1.00 0.00 H new ATOM 0 HB2 SER A 72 -23.009 -3.578 -0.187 1.00 0.00 H new ATOM 0 HB3 SER A 72 -22.940 -3.950 1.525 1.00 0.00 H new ATOM 0 HG SER A 72 -24.652 -2.470 1.016 1.00 0.00 H new ATOM 1113 N PRO A 73 -19.485 -2.649 2.410 1.00 0.00 N ATOM 1114 CA PRO A 73 -18.858 -1.575 1.655 1.00 0.00 C ATOM 1115 C PRO A 73 -17.900 -2.102 0.592 1.00 0.00 C ATOM 1116 O PRO A 73 -17.833 -1.574 -0.518 1.00 0.00 O ATOM 1117 CB PRO A 73 -18.091 -0.834 2.742 1.00 0.00 C ATOM 1118 CG PRO A 73 -17.673 -1.901 3.705 1.00 0.00 C ATOM 1119 CD PRO A 73 -18.653 -3.046 3.557 1.00 0.00 C ATOM 0 HA PRO A 73 -19.575 -0.964 1.107 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -17.228 -0.311 2.331 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -18.716 -0.085 3.228 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -16.657 -2.234 3.493 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -17.677 -1.521 4.726 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -18.140 -3.990 3.372 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -19.251 -3.180 4.458 1.00 0.00 H new ATOM 1127 N LYS A 74 -17.162 -3.151 0.948 1.00 0.00 N ATOM 1128 CA LYS A 74 -16.204 -3.767 0.037 1.00 0.00 C ATOM 1129 C LYS A 74 -15.987 -2.908 -1.202 1.00 0.00 C ATOM 1130 O LYS A 74 -16.392 -3.274 -2.303 1.00 0.00 O ATOM 1131 CB LYS A 74 -16.692 -5.160 -0.366 1.00 0.00 C ATOM 1132 CG LYS A 74 -16.153 -6.273 0.517 1.00 0.00 C ATOM 1133 CD LYS A 74 -17.250 -6.880 1.377 1.00 0.00 C ATOM 1134 CE LYS A 74 -18.180 -7.759 0.555 1.00 0.00 C ATOM 1135 NZ LYS A 74 -19.143 -8.503 1.413 1.00 0.00 N ATOM 0 H LYS A 74 -17.211 -3.593 1.866 1.00 0.00 H new ATOM 0 HA LYS A 74 -15.249 -3.854 0.555 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -17.781 -5.177 -0.334 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -16.400 -5.353 -1.398 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -15.705 -7.048 -0.105 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -15.362 -5.881 1.157 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -16.802 -7.470 2.177 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -17.824 -6.084 1.851 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -18.729 -7.141 -0.156 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -17.590 -8.467 -0.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -19.759 -9.090 0.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -18.620 -9.112 2.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -19.724 -7.827 1.950 1.00 0.00 H new ATOM 1149 N ARG A 75 -15.348 -1.760 -1.015 1.00 0.00 N ATOM 1150 CA ARG A 75 -15.089 -0.849 -2.121 1.00 0.00 C ATOM 1151 C ARG A 75 -13.683 -1.013 -2.686 1.00 0.00 C ATOM 1152 O ARG A 75 -13.509 -1.382 -3.846 1.00 0.00 O ATOM 1153 CB ARG A 75 -15.264 0.598 -1.671 1.00 0.00 C ATOM 1154 CG ARG A 75 -16.669 1.137 -1.879 1.00 0.00 C ATOM 1155 CD ARG A 75 -16.796 2.570 -1.389 1.00 0.00 C ATOM 1156 NE ARG A 75 -15.987 2.814 -0.198 1.00 0.00 N ATOM 1157 CZ ARG A 75 -16.347 3.639 0.780 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -17.497 4.295 0.707 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -15.558 3.808 1.832 1.00 0.00 N ATOM 0 H ARG A 75 -15.001 -1.439 -0.111 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.808 -1.095 -2.902 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -15.008 0.674 -0.614 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -14.559 1.226 -2.216 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -16.925 1.090 -2.938 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -17.383 0.506 -1.350 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -16.490 3.253 -2.182 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -17.841 2.786 -1.168 1.00 0.00 H new ATOM 0 HE ARG A 75 -15.096 2.324 -0.112 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -18.107 4.167 -0.101 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -17.772 4.928 1.458 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -14.673 3.304 1.892 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -15.836 4.442 2.581 1.00 0.00 H new ATOM 1173 N TYR A 76 -12.685 -0.686 -1.877 1.00 0.00 N ATOM 1174 CA TYR A 76 -11.300 -0.741 -2.324 1.00 0.00 C ATOM 1175 C TYR A 76 -10.682 -2.123 -2.196 1.00 0.00 C ATOM 1176 O TYR A 76 -11.107 -2.936 -1.379 1.00 0.00 O ATOM 1177 CB TYR A 76 -10.476 0.289 -1.562 1.00 0.00 C ATOM 1178 CG TYR A 76 -11.208 1.590 -1.401 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -12.403 1.808 -2.069 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -10.718 2.591 -0.584 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -13.091 2.990 -1.930 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -11.397 3.783 -0.436 1.00 0.00 C ATOM 1183 CZ TYR A 76 -12.586 3.980 -1.112 1.00 0.00 C ATOM 1184 OH TYR A 76 -13.269 5.166 -0.967 1.00 0.00 O ATOM 0 H TYR A 76 -12.807 -0.381 -0.911 1.00 0.00 H new ATOM 0 HA TYR A 76 -11.296 -0.507 -3.389 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.221 -0.107 -0.579 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.538 0.464 -2.089 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -12.801 1.035 -2.710 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.790 2.438 -0.053 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -14.021 3.143 -2.458 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -11.002 4.558 0.204 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.101 5.737 -1.745 1.00 0.00 H new ATOM 1194 N TYR A 77 -9.667 -2.368 -3.026 1.00 0.00 N ATOM 1195 CA TYR A 77 -8.959 -3.651 -3.039 1.00 0.00 C ATOM 1196 C TYR A 77 -7.747 -3.605 -3.969 1.00 0.00 C ATOM 1197 O TYR A 77 -7.626 -2.708 -4.801 1.00 0.00 O ATOM 1198 CB TYR A 77 -9.901 -4.770 -3.483 1.00 0.00 C ATOM 1199 CG TYR A 77 -10.177 -4.778 -4.968 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -10.935 -3.772 -5.554 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -9.687 -5.792 -5.781 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -11.197 -3.772 -6.910 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -9.945 -5.799 -7.141 1.00 0.00 C ATOM 1204 CZ TYR A 77 -10.699 -4.788 -7.699 1.00 0.00 C ATOM 1205 OH TYR A 77 -10.957 -4.793 -9.051 1.00 0.00 O ATOM 0 H TYR A 77 -9.314 -1.691 -3.702 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.610 -3.849 -2.025 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.471 -5.730 -3.197 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.845 -4.672 -2.947 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -11.326 -2.976 -4.938 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.097 -6.585 -5.346 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -11.788 -2.982 -7.350 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.557 -6.593 -7.762 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.216 -5.225 -9.524 1.00 0.00 H new ATOM 1215 N VAL A 78 -6.855 -4.586 -3.828 1.00 0.00 N ATOM 1216 CA VAL A 78 -5.658 -4.661 -4.663 1.00 0.00 C ATOM 1217 C VAL A 78 -5.348 -6.095 -5.065 1.00 0.00 C ATOM 1218 O VAL A 78 -4.440 -6.715 -4.514 1.00 0.00 O ATOM 1219 CB VAL A 78 -4.418 -4.101 -3.950 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -4.650 -2.671 -3.498 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -4.036 -4.991 -2.780 1.00 0.00 C ATOM 0 H VAL A 78 -6.939 -5.338 -3.144 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.877 -4.059 -5.545 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.588 -4.091 -4.657 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.757 -2.299 -2.996 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.867 -2.046 -4.364 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.493 -2.640 -2.808 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.156 -4.582 -2.284 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.863 -5.036 -2.072 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.814 -5.994 -3.143 1.00 0.00 H new ATOM 1231 N ALA A 79 -6.092 -6.615 -6.029 1.00 0.00 N ATOM 1232 CA ALA A 79 -5.873 -7.975 -6.497 1.00 0.00 C ATOM 1233 C ALA A 79 -7.187 -8.727 -6.655 1.00 0.00 C ATOM 1234 O ALA A 79 -7.216 -9.955 -6.592 1.00 0.00 O ATOM 1235 CB ALA A 79 -4.965 -8.726 -5.532 1.00 0.00 C ATOM 0 H ALA A 79 -6.849 -6.119 -6.500 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.394 -7.915 -7.474 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.810 -9.742 -5.895 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.005 -8.215 -5.463 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.430 -8.759 -4.547 1.00 0.00 H new ATOM 1241 N GLU A 80 -8.279 -7.993 -6.837 1.00 0.00 N ATOM 1242 CA GLU A 80 -9.583 -8.626 -6.969 1.00 0.00 C ATOM 1243 C GLU A 80 -9.745 -9.645 -5.852 1.00 0.00 C ATOM 1244 O GLU A 80 -10.563 -10.562 -5.929 1.00 0.00 O ATOM 1245 CB GLU A 80 -9.718 -9.306 -8.333 1.00 0.00 C ATOM 1246 CG GLU A 80 -9.542 -8.356 -9.506 1.00 0.00 C ATOM 1247 CD GLU A 80 -10.198 -8.868 -10.774 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -9.703 -9.867 -11.337 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -11.206 -8.269 -11.204 1.00 0.00 O ATOM 0 H GLU A 80 -8.288 -6.975 -6.896 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.364 -7.869 -6.895 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.978 -10.103 -8.407 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.700 -9.775 -8.400 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.965 -7.385 -9.249 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.478 -8.202 -9.688 1.00 0.00 H new ATOM 1256 N LYS A 81 -8.930 -9.467 -4.818 1.00 0.00 N ATOM 1257 CA LYS A 81 -8.924 -10.349 -3.662 1.00 0.00 C ATOM 1258 C LYS A 81 -9.958 -9.921 -2.629 1.00 0.00 C ATOM 1259 O LYS A 81 -11.060 -10.466 -2.564 1.00 0.00 O ATOM 1260 CB LYS A 81 -7.547 -10.321 -3.006 1.00 0.00 C ATOM 1261 CG LYS A 81 -6.416 -10.806 -3.894 1.00 0.00 C ATOM 1262 CD LYS A 81 -5.065 -10.425 -3.310 1.00 0.00 C ATOM 1263 CE LYS A 81 -4.532 -11.504 -2.382 1.00 0.00 C ATOM 1264 NZ LYS A 81 -4.238 -10.971 -1.022 1.00 0.00 N ATOM 0 H LYS A 81 -8.255 -8.705 -4.760 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.167 -11.353 -4.009 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.331 -9.301 -2.688 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.575 -10.936 -2.106 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.476 -11.889 -4.007 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.520 -10.376 -4.890 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -4.353 -10.255 -4.118 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.156 -9.486 -2.763 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.261 -12.310 -2.306 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.625 -11.933 -2.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.974 -11.755 -0.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.452 -10.292 -1.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.082 -10.494 -0.646 1.00 0.00 H new ATOM 1278 N TYR A 82 -9.574 -8.944 -1.815 1.00 0.00 N ATOM 1279 CA TYR A 82 -10.436 -8.429 -0.762 1.00 0.00 C ATOM 1280 C TYR A 82 -10.622 -6.926 -0.900 1.00 0.00 C ATOM 1281 O TYR A 82 -9.671 -6.160 -0.746 1.00 0.00 O ATOM 1282 CB TYR A 82 -9.842 -8.729 0.617 1.00 0.00 C ATOM 1283 CG TYR A 82 -8.894 -9.907 0.646 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -7.809 -9.976 -0.215 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -9.085 -10.945 1.547 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -6.942 -11.048 -0.183 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -8.221 -12.020 1.587 1.00 0.00 C ATOM 1288 CZ TYR A 82 -7.152 -12.069 0.719 1.00 0.00 C ATOM 1289 OH TYR A 82 -6.288 -13.140 0.755 1.00 0.00 O ATOM 0 H TYR A 82 -8.662 -8.490 -1.867 1.00 0.00 H new ATOM 0 HA TYR A 82 -11.403 -8.923 -0.859 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -9.314 -7.844 0.972 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -10.656 -8.916 1.317 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.640 -9.177 -0.922 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -9.923 -10.911 2.227 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.103 -11.087 -0.861 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -8.382 -12.819 2.295 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.577 -13.770 1.447 1.00 0.00 H new ATOM 1299 N VAL A 83 -11.847 -6.504 -1.171 1.00 0.00 N ATOM 1300 CA VAL A 83 -12.134 -5.087 -1.300 1.00 0.00 C ATOM 1301 C VAL A 83 -12.770 -4.558 -0.025 1.00 0.00 C ATOM 1302 O VAL A 83 -13.756 -5.107 0.465 1.00 0.00 O ATOM 1303 CB VAL A 83 -13.052 -4.783 -2.500 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -12.611 -5.562 -3.728 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -14.497 -5.090 -2.157 1.00 0.00 C ATOM 0 H VAL A 83 -12.651 -7.117 -1.305 1.00 0.00 H new ATOM 0 HA VAL A 83 -11.182 -4.585 -1.474 1.00 0.00 H new ATOM 0 HB VAL A 83 -12.974 -3.720 -2.729 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.273 -5.332 -4.562 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -11.590 -5.284 -3.988 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.653 -6.630 -3.516 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -15.130 -4.869 -3.017 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -14.593 -6.144 -1.897 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -14.808 -4.478 -1.311 1.00 0.00 H new ATOM 1315 N PHE A 84 -12.185 -3.500 0.520 1.00 0.00 N ATOM 1316 CA PHE A 84 -12.680 -2.910 1.753 1.00 0.00 C ATOM 1317 C PHE A 84 -13.208 -1.500 1.518 1.00 0.00 C ATOM 1318 O PHE A 84 -13.126 -0.969 0.409 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.569 -2.910 2.803 1.00 0.00 C ATOM 1320 CG PHE A 84 -10.869 -4.238 2.907 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -9.959 -4.636 1.939 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -11.132 -5.095 3.965 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -9.324 -5.861 2.025 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -10.501 -6.323 4.054 1.00 0.00 C ATOM 1325 CZ PHE A 84 -9.595 -6.706 3.083 1.00 0.00 C ATOM 0 H PHE A 84 -11.367 -3.034 0.127 1.00 0.00 H new ATOM 0 HA PHE A 84 -13.513 -3.511 2.118 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.840 -2.138 2.555 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -11.992 -2.650 3.773 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -9.744 -3.981 1.108 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -11.837 -4.801 4.728 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -8.616 -6.157 1.265 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -10.716 -6.982 4.882 1.00 0.00 H new ATOM 0 HZ PHE A 84 -9.100 -7.664 3.152 1.00 0.00 H new ATOM 1335 N ASP A 85 -13.766 -0.907 2.566 1.00 0.00 N ATOM 1336 CA ASP A 85 -14.331 0.434 2.480 1.00 0.00 C ATOM 1337 C ASP A 85 -13.303 1.501 2.835 1.00 0.00 C ATOM 1338 O ASP A 85 -13.662 2.583 3.299 1.00 0.00 O ATOM 1339 CB ASP A 85 -15.538 0.557 3.410 1.00 0.00 C ATOM 1340 CG ASP A 85 -16.532 1.597 2.932 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -16.946 1.527 1.756 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -16.897 2.483 3.734 1.00 0.00 O ATOM 0 H ASP A 85 -13.840 -1.335 3.489 1.00 0.00 H new ATOM 0 HA ASP A 85 -14.644 0.593 1.448 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -16.036 -0.410 3.485 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -15.196 0.818 4.412 1.00 0.00 H new ATOM 1347 N SER A 86 -12.027 1.204 2.615 1.00 0.00 N ATOM 1348 CA SER A 86 -10.978 2.167 2.921 1.00 0.00 C ATOM 1349 C SER A 86 -9.595 1.516 2.947 1.00 0.00 C ATOM 1350 O SER A 86 -9.443 0.327 3.266 1.00 0.00 O ATOM 1351 CB SER A 86 -11.267 2.843 4.261 1.00 0.00 C ATOM 1352 OG SER A 86 -10.088 2.975 5.030 1.00 0.00 O ATOM 0 H SER A 86 -11.698 0.318 2.232 1.00 0.00 H new ATOM 0 HA SER A 86 -10.973 2.915 2.128 1.00 0.00 H new ATOM 0 HB2 SER A 86 -11.704 3.826 4.089 1.00 0.00 H new ATOM 0 HB3 SER A 86 -12.003 2.260 4.815 1.00 0.00 H new ATOM 0 HG SER A 86 -10.014 3.895 5.360 1.00 0.00 H new ATOM 1358 N ILE A 87 -8.588 2.316 2.606 1.00 0.00 N ATOM 1359 CA ILE A 87 -7.214 1.846 2.578 1.00 0.00 C ATOM 1360 C ILE A 87 -6.795 1.258 3.921 1.00 0.00 C ATOM 1361 O ILE A 87 -6.269 0.156 3.972 1.00 0.00 O ATOM 1362 CB ILE A 87 -6.231 2.968 2.201 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -6.272 3.258 0.700 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.823 2.583 2.619 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -7.416 2.592 -0.031 1.00 0.00 C ATOM 0 H ILE A 87 -8.703 3.295 2.345 1.00 0.00 H new ATOM 0 HA ILE A 87 -7.176 1.069 1.815 1.00 0.00 H new ATOM 0 HB ILE A 87 -6.530 3.874 2.728 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -6.340 4.336 0.552 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.332 2.933 0.253 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.132 3.382 2.349 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.794 2.427 3.697 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.531 1.664 2.111 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.371 2.850 -1.089 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.340 1.511 0.083 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.363 2.935 0.386 1.00 0.00 H new ATOM 1377 N PRO A 88 -7.015 1.977 5.036 1.00 0.00 N ATOM 1378 CA PRO A 88 -6.635 1.483 6.359 1.00 0.00 C ATOM 1379 C PRO A 88 -7.179 0.086 6.600 1.00 0.00 C ATOM 1380 O PRO A 88 -6.439 -0.815 6.989 1.00 0.00 O ATOM 1381 CB PRO A 88 -7.256 2.488 7.335 1.00 0.00 C ATOM 1382 CG PRO A 88 -8.150 3.360 6.512 1.00 0.00 C ATOM 1383 CD PRO A 88 -7.626 3.306 5.103 1.00 0.00 C ATOM 0 HA PRO A 88 -5.554 1.405 6.474 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.820 1.977 8.116 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.485 3.077 7.832 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.181 3.009 6.556 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -8.146 4.383 6.888 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.424 3.422 4.370 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -6.900 4.096 4.911 1.00 0.00 H new ATOM 1391 N LEU A 89 -8.462 -0.110 6.319 1.00 0.00 N ATOM 1392 CA LEU A 89 -9.057 -1.430 6.461 1.00 0.00 C ATOM 1393 C LEU A 89 -8.409 -2.341 5.432 1.00 0.00 C ATOM 1394 O LEU A 89 -7.844 -3.397 5.764 1.00 0.00 O ATOM 1395 CB LEU A 89 -10.576 -1.387 6.251 1.00 0.00 C ATOM 1396 CG LEU A 89 -11.107 -0.143 5.537 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -12.277 -0.507 4.639 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -11.516 0.917 6.548 1.00 0.00 C ATOM 0 H LEU A 89 -9.101 0.617 5.996 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.886 -1.802 7.471 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.871 -2.267 5.679 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.062 -1.461 7.224 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.311 0.267 4.915 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.644 0.389 4.138 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.951 -1.232 3.893 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -13.077 -0.939 5.241 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.891 1.795 6.023 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.298 0.520 7.196 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.652 1.197 7.151 1.00 0.00 H new ATOM 1410 N LEU A 90 -8.454 -1.890 4.176 1.00 0.00 N ATOM 1411 CA LEU A 90 -7.837 -2.625 3.089 1.00 0.00 C ATOM 1412 C LEU A 90 -6.365 -2.849 3.416 1.00 0.00 C ATOM 1413 O LEU A 90 -5.778 -3.870 3.064 1.00 0.00 O ATOM 1414 CB LEU A 90 -7.992 -1.856 1.779 1.00 0.00 C ATOM 1415 CG LEU A 90 -7.648 -2.649 0.521 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -8.595 -2.288 -0.610 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -6.202 -2.402 0.118 1.00 0.00 C ATOM 0 H LEU A 90 -8.911 -1.022 3.896 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.328 -3.591 2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.021 -1.507 1.700 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.357 -0.971 1.817 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.765 -3.711 0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.335 -2.862 -1.499 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.619 -2.519 -0.315 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.511 -1.223 -0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.972 -2.974 -0.781 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.056 -1.340 -0.081 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.541 -2.714 0.926 1.00 0.00 H new ATOM 1429 N ILE A 91 -5.784 -1.892 4.128 1.00 0.00 N ATOM 1430 CA ILE A 91 -4.401 -1.996 4.551 1.00 0.00 C ATOM 1431 C ILE A 91 -4.331 -2.884 5.779 1.00 0.00 C ATOM 1432 O ILE A 91 -3.445 -3.727 5.913 1.00 0.00 O ATOM 1433 CB ILE A 91 -3.773 -0.627 4.882 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -3.789 0.269 3.648 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -2.346 -0.806 5.387 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -3.023 -0.314 2.491 1.00 0.00 C ATOM 0 H ILE A 91 -6.253 -1.036 4.423 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.834 -2.420 3.722 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.361 -0.153 5.668 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.821 0.441 3.344 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.366 1.240 3.905 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.916 0.169 5.616 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.353 -1.420 6.287 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.747 -1.295 4.619 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.070 0.368 1.642 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.983 -0.461 2.781 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.461 -1.272 2.211 1.00 0.00 H new ATOM 1448 N GLN A 92 -5.301 -2.686 6.668 1.00 0.00 N ATOM 1449 CA GLN A 92 -5.391 -3.465 7.888 1.00 0.00 C ATOM 1450 C GLN A 92 -5.429 -4.942 7.547 1.00 0.00 C ATOM 1451 O GLN A 92 -4.711 -5.744 8.144 1.00 0.00 O ATOM 1452 CB GLN A 92 -6.638 -3.075 8.684 1.00 0.00 C ATOM 1453 CG GLN A 92 -6.407 -1.929 9.655 1.00 0.00 C ATOM 1454 CD GLN A 92 -4.948 -1.778 10.041 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -4.128 -1.338 9.094 1.00 0.00 O flip ATOM 1456 NE2 GLN A 92 -4.564 -2.053 11.178 1.00 0.00 N flip ATOM 0 H GLN A 92 -6.037 -1.988 6.560 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.515 -3.260 8.503 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -7.430 -2.797 7.989 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.991 -3.944 9.239 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -6.758 -1.000 9.206 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -7.002 -2.093 10.554 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -5.230 -2.388 11.874 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -3.580 -1.946 11.424 1.00 0.00 H new ATOM 1465 N TYR A 93 -6.259 -5.303 6.570 1.00 0.00 N ATOM 1466 CA TYR A 93 -6.349 -6.698 6.160 1.00 0.00 C ATOM 1467 C TYR A 93 -5.038 -7.145 5.518 1.00 0.00 C ATOM 1468 O TYR A 93 -4.624 -8.293 5.677 1.00 0.00 O ATOM 1469 CB TYR A 93 -7.526 -6.927 5.210 1.00 0.00 C ATOM 1470 CG TYR A 93 -7.157 -6.894 3.746 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -7.032 -5.687 3.082 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -6.954 -8.066 3.024 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -6.710 -5.638 1.740 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -6.636 -8.027 1.678 1.00 0.00 C ATOM 1475 CZ TYR A 93 -6.515 -6.809 1.042 1.00 0.00 C ATOM 1476 OH TYR A 93 -6.209 -6.761 -0.298 1.00 0.00 O ATOM 0 H TYR A 93 -6.866 -4.662 6.058 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.526 -7.301 7.050 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -7.979 -7.892 5.437 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.284 -6.167 5.399 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -7.189 -4.766 3.623 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.046 -9.020 3.522 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.612 -4.686 1.240 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.483 -8.944 1.129 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.490 -7.398 -0.492 1.00 0.00 H new ATOM 1486 N HIS A 94 -4.370 -6.230 4.809 1.00 0.00 N ATOM 1487 CA HIS A 94 -3.096 -6.553 4.180 1.00 0.00 C ATOM 1488 C HIS A 94 -1.976 -6.528 5.214 1.00 0.00 C ATOM 1489 O HIS A 94 -0.920 -7.127 5.018 1.00 0.00 O ATOM 1490 CB HIS A 94 -2.797 -5.591 3.029 1.00 0.00 C ATOM 1491 CG HIS A 94 -3.111 -6.167 1.687 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -2.583 -5.920 0.465 1.00 0.00 N flip ATOM 1493 CD2 HIS A 94 -4.084 -7.123 1.496 1.00 0.00 C flip ATOM 1494 CE1 HIS A 94 -3.242 -6.726 -0.432 1.00 0.00 C flip ATOM 1495 NE2 HIS A 94 -4.143 -7.441 0.217 1.00 0.00 N flip ATOM 0 H HIS A 94 -4.689 -5.273 4.660 1.00 0.00 H new ATOM 0 HA HIS A 94 -3.161 -7.559 3.765 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -3.373 -4.676 3.169 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.744 -5.312 3.061 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -1.836 -5.259 0.250 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -4.703 -7.547 2.273 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -3.054 -6.768 -1.495 1.00 0.00 H new ATOM 1504 N GLN A 95 -2.224 -5.839 6.324 1.00 0.00 N ATOM 1505 CA GLN A 95 -1.248 -5.743 7.405 1.00 0.00 C ATOM 1506 C GLN A 95 -1.274 -7.005 8.262 1.00 0.00 C ATOM 1507 O GLN A 95 -0.392 -7.222 9.094 1.00 0.00 O ATOM 1508 CB GLN A 95 -1.540 -4.520 8.276 1.00 0.00 C ATOM 1509 CG GLN A 95 -0.560 -3.377 8.074 1.00 0.00 C ATOM 1510 CD GLN A 95 -0.539 -2.413 9.244 1.00 0.00 C ATOM 1511 OE1 GLN A 95 -0.701 -1.127 8.954 1.00 0.00 O flip ATOM 1512 NE2 GLN A 95 -0.379 -2.819 10.395 1.00 0.00 N flip ATOM 0 H GLN A 95 -3.095 -5.338 6.499 1.00 0.00 H new ATOM 0 HA GLN A 95 -0.257 -5.637 6.964 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -2.548 -4.165 8.061 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -1.524 -4.819 9.324 1.00 0.00 H new ATOM 0 HG2 GLN A 95 0.440 -3.783 7.925 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -0.822 -2.835 7.166 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -0.258 -3.816 10.572 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.367 -2.158 11.172 1.00 0.00 H new ATOM 1521 N TYR A 96 -2.294 -7.832 8.054 1.00 0.00 N ATOM 1522 CA TYR A 96 -2.442 -9.071 8.806 1.00 0.00 C ATOM 1523 C TYR A 96 -2.744 -10.243 7.877 1.00 0.00 C ATOM 1524 O TYR A 96 -1.849 -11.005 7.512 1.00 0.00 O ATOM 1525 CB TYR A 96 -3.555 -8.929 9.845 1.00 0.00 C ATOM 1526 CG TYR A 96 -3.241 -7.931 10.936 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -3.135 -6.575 10.652 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -3.051 -8.344 12.248 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -2.848 -5.659 11.645 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -2.764 -7.433 13.247 1.00 0.00 C ATOM 1531 CZ TYR A 96 -2.664 -6.093 12.941 1.00 0.00 C ATOM 1532 OH TYR A 96 -2.378 -5.183 13.933 1.00 0.00 O ATOM 0 H TYR A 96 -3.031 -7.665 7.369 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.500 -9.271 9.316 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.474 -8.628 9.342 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -3.744 -9.902 10.298 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -3.279 -6.232 9.638 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -3.129 -9.393 12.492 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -2.768 -4.608 11.408 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -2.619 -7.770 14.263 1.00 0.00 H new ATOM 0 HH TYR A 96 -2.279 -5.651 14.788 1.00 0.00 H new ATOM 1542 N ASN A 97 -4.013 -10.382 7.501 1.00 0.00 N ATOM 1543 CA ASN A 97 -4.438 -11.463 6.617 1.00 0.00 C ATOM 1544 C ASN A 97 -3.240 -12.121 5.941 1.00 0.00 C ATOM 1545 O ASN A 97 -3.097 -13.344 5.963 1.00 0.00 O ATOM 1546 CB ASN A 97 -5.408 -10.934 5.558 1.00 0.00 C ATOM 1547 CG ASN A 97 -6.718 -10.462 6.157 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -6.682 -9.317 6.828 1.00 0.00 O flip ATOM 1549 ND2 ASN A 97 -7.750 -11.118 6.019 1.00 0.00 N flip ATOM 0 H ASN A 97 -4.765 -9.759 7.795 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.945 -12.213 7.224 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -4.940 -10.110 5.020 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.607 -11.718 4.828 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -7.732 -11.993 5.495 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -8.623 -10.787 6.428 1.00 0.00 H new ATOM 1556 N GLY A 98 -2.384 -11.303 5.339 1.00 0.00 N ATOM 1557 CA GLY A 98 -1.211 -11.825 4.664 1.00 0.00 C ATOM 1558 C GLY A 98 -1.327 -11.736 3.155 1.00 0.00 C ATOM 1559 O GLY A 98 -0.456 -12.215 2.429 1.00 0.00 O ATOM 0 H GLY A 98 -2.482 -10.288 5.306 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.330 -11.272 4.991 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.061 -12.865 4.954 1.00 0.00 H new ATOM 1563 N GLY A 99 -2.407 -11.121 2.684 1.00 0.00 N ATOM 1564 CA GLY A 99 -2.617 -10.981 1.255 1.00 0.00 C ATOM 1565 C GLY A 99 -1.886 -12.041 0.455 1.00 0.00 C ATOM 1566 O GLY A 99 -1.817 -13.200 0.864 1.00 0.00 O ATOM 0 H GLY A 99 -3.140 -10.717 3.266 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.684 -11.040 1.040 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.281 -9.994 0.937 1.00 0.00 H new ATOM 1570 N GLY A 100 -1.340 -11.643 -0.689 1.00 0.00 N ATOM 1571 CA GLY A 100 -0.617 -12.578 -1.532 1.00 0.00 C ATOM 1572 C GLY A 100 0.428 -11.893 -2.390 1.00 0.00 C ATOM 1573 O GLY A 100 0.705 -12.327 -3.508 1.00 0.00 O ATOM 0 H GLY A 100 -1.385 -10.689 -1.048 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.134 -13.329 -0.906 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -1.323 -13.104 -2.175 1.00 0.00 H new ATOM 1577 N LEU A 101 1.009 -10.819 -1.865 1.00 0.00 N ATOM 1578 CA LEU A 101 2.029 -10.070 -2.588 1.00 0.00 C ATOM 1579 C LEU A 101 3.380 -10.174 -1.886 1.00 0.00 C ATOM 1580 O LEU A 101 3.531 -10.923 -0.922 1.00 0.00 O ATOM 1581 CB LEU A 101 1.614 -8.602 -2.715 1.00 0.00 C ATOM 1582 CG LEU A 101 0.218 -8.274 -2.182 1.00 0.00 C ATOM 1583 CD1 LEU A 101 0.151 -6.829 -1.715 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -0.834 -8.540 -3.249 1.00 0.00 C ATOM 0 H LEU A 101 0.790 -10.448 -0.940 1.00 0.00 H new ATOM 0 HA LEU A 101 2.127 -10.500 -3.585 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.342 -7.988 -2.185 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.661 -8.317 -3.766 1.00 0.00 H new ATOM 0 HG LEU A 101 0.014 -8.920 -1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -0.849 -6.614 -1.339 1.00 0.00 H new ATOM 0 HD12 LEU A 101 0.879 -6.669 -0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 101 0.375 -6.166 -2.551 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.821 -8.302 -2.854 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.633 -7.918 -4.121 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.802 -9.591 -3.537 1.00 0.00 H new ATOM 1596 N VAL A 102 4.360 -9.418 -2.375 1.00 0.00 N ATOM 1597 CA VAL A 102 5.696 -9.429 -1.789 1.00 0.00 C ATOM 1598 C VAL A 102 5.651 -9.898 -0.341 1.00 0.00 C ATOM 1599 O VAL A 102 6.519 -10.644 0.112 1.00 0.00 O ATOM 1600 CB VAL A 102 6.348 -8.034 -1.839 1.00 0.00 C ATOM 1601 CG1 VAL A 102 5.859 -7.256 -3.050 1.00 0.00 C ATOM 1602 CG2 VAL A 102 6.069 -7.267 -0.553 1.00 0.00 C ATOM 0 H VAL A 102 4.254 -8.792 -3.173 1.00 0.00 H new ATOM 0 HA VAL A 102 6.294 -10.122 -2.381 1.00 0.00 H new ATOM 0 HB VAL A 102 7.426 -8.162 -1.932 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.331 -6.274 -3.067 1.00 0.00 H new ATOM 0 HG12 VAL A 102 6.117 -7.798 -3.960 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.777 -7.137 -2.993 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.537 -6.284 -0.607 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.993 -7.150 -0.425 1.00 0.00 H new ATOM 0 HG23 VAL A 102 6.477 -7.817 0.295 1.00 0.00 H new ATOM 1612 N THR A 103 4.630 -9.451 0.379 1.00 0.00 N ATOM 1613 CA THR A 103 4.457 -9.814 1.778 1.00 0.00 C ATOM 1614 C THR A 103 3.406 -8.925 2.430 1.00 0.00 C ATOM 1615 O THR A 103 3.509 -8.584 3.608 1.00 0.00 O ATOM 1616 CB THR A 103 5.785 -9.694 2.529 1.00 0.00 C ATOM 1617 OG1 THR A 103 5.567 -9.646 3.928 1.00 0.00 O ATOM 1618 CG2 THR A 103 6.581 -8.465 2.145 1.00 0.00 C ATOM 0 H THR A 103 3.906 -8.833 0.014 1.00 0.00 H new ATOM 0 HA THR A 103 4.120 -10.849 1.826 1.00 0.00 H new ATOM 0 HB THR A 103 6.357 -10.579 2.249 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.607 -9.714 4.112 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.510 -8.441 2.714 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.808 -8.497 1.079 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.998 -7.571 2.365 1.00 0.00 H new ATOM 1626 N ARG A 104 2.397 -8.550 1.648 1.00 0.00 N ATOM 1627 CA ARG A 104 1.323 -7.694 2.138 1.00 0.00 C ATOM 1628 C ARG A 104 1.863 -6.647 3.105 1.00 0.00 C ATOM 1629 O ARG A 104 3.075 -6.517 3.280 1.00 0.00 O ATOM 1630 CB ARG A 104 0.240 -8.534 2.820 1.00 0.00 C ATOM 1631 CG ARG A 104 0.781 -9.516 3.847 1.00 0.00 C ATOM 1632 CD ARG A 104 0.361 -9.135 5.257 1.00 0.00 C ATOM 1633 NE ARG A 104 0.921 -10.040 6.258 1.00 0.00 N ATOM 1634 CZ ARG A 104 1.269 -9.658 7.482 1.00 0.00 C ATOM 1635 NH1 ARG A 104 1.115 -8.395 7.854 1.00 0.00 N ATOM 1636 NH2 ARG A 104 1.771 -10.540 8.336 1.00 0.00 N ATOM 0 H ARG A 104 2.302 -8.827 0.671 1.00 0.00 H new ATOM 0 HA ARG A 104 0.883 -7.179 1.284 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -0.471 -7.867 3.308 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -0.312 -9.086 2.059 1.00 0.00 H new ATOM 0 HG2 ARG A 104 0.421 -10.519 3.618 1.00 0.00 H new ATOM 0 HG3 ARG A 104 1.869 -9.546 3.786 1.00 0.00 H new ATOM 0 HD2 ARG A 104 0.684 -8.116 5.469 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -0.727 -9.146 5.327 1.00 0.00 H new ATOM 0 HE ARG A 104 1.052 -11.019 6.003 1.00 0.00 H new ATOM 0 HH11 ARG A 104 0.729 -7.714 7.200 1.00 0.00 H new ATOM 0 HH12 ARG A 104 1.383 -8.104 8.794 1.00 0.00 H new ATOM 0 HH21 ARG A 104 1.890 -11.513 8.053 1.00 0.00 H new ATOM 0 HH22 ARG A 104 2.038 -10.245 9.275 1.00 0.00 H new ATOM 1650 N LEU A 105 0.960 -5.901 3.729 1.00 0.00 N ATOM 1651 CA LEU A 105 1.353 -4.866 4.677 1.00 0.00 C ATOM 1652 C LEU A 105 2.212 -5.437 5.798 1.00 0.00 C ATOM 1653 O LEU A 105 1.819 -5.422 6.964 1.00 0.00 O ATOM 1654 CB LEU A 105 0.120 -4.174 5.259 1.00 0.00 C ATOM 1655 CG LEU A 105 -0.488 -3.097 4.375 1.00 0.00 C ATOM 1656 CD1 LEU A 105 0.308 -2.950 3.098 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -1.933 -3.415 4.069 1.00 0.00 C ATOM 0 H LEU A 105 -0.047 -5.993 3.596 1.00 0.00 H new ATOM 0 HA LEU A 105 1.948 -4.131 4.135 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.640 -4.929 5.462 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.390 -3.728 6.216 1.00 0.00 H new ATOM 0 HG LEU A 105 -0.453 -2.149 4.912 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.141 -2.175 2.477 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.334 -2.673 3.339 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.305 -3.896 2.557 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.351 -2.633 3.435 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.993 -4.372 3.551 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.498 -3.469 4.999 1.00 0.00 H new ATOM 1669 N ARG A 106 3.392 -5.930 5.438 1.00 0.00 N ATOM 1670 CA ARG A 106 4.311 -6.492 6.418 1.00 0.00 C ATOM 1671 C ARG A 106 4.742 -5.423 7.414 1.00 0.00 C ATOM 1672 O ARG A 106 4.874 -5.686 8.609 1.00 0.00 O ATOM 1673 CB ARG A 106 5.540 -7.074 5.721 1.00 0.00 C ATOM 1674 CG ARG A 106 6.143 -8.267 6.444 1.00 0.00 C ATOM 1675 CD ARG A 106 6.214 -8.031 7.944 1.00 0.00 C ATOM 1676 NE ARG A 106 7.366 -8.695 8.548 1.00 0.00 N ATOM 1677 CZ ARG A 106 7.646 -8.646 9.847 1.00 0.00 C ATOM 1678 NH1 ARG A 106 6.861 -7.967 10.671 1.00 0.00 N ATOM 1679 NH2 ARG A 106 8.712 -9.277 10.321 1.00 0.00 N ATOM 0 H ARG A 106 3.733 -5.951 4.477 1.00 0.00 H new ATOM 0 HA ARG A 106 3.796 -7.289 6.954 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.266 -7.374 4.710 1.00 0.00 H new ATOM 0 HB3 ARG A 106 6.297 -6.295 5.628 1.00 0.00 H new ATOM 0 HG2 ARG A 106 5.546 -9.156 6.242 1.00 0.00 H new ATOM 0 HG3 ARG A 106 7.143 -8.461 6.057 1.00 0.00 H new ATOM 0 HD2 ARG A 106 6.269 -6.960 8.140 1.00 0.00 H new ATOM 0 HD3 ARG A 106 5.299 -8.395 8.412 1.00 0.00 H new ATOM 0 HE ARG A 106 7.990 -9.225 7.940 1.00 0.00 H new ATOM 0 HH11 ARG A 106 6.041 -7.481 10.309 1.00 0.00 H new ATOM 0 HH12 ARG A 106 7.077 -7.930 11.667 1.00 0.00 H new ATOM 0 HH21 ARG A 106 9.318 -9.800 9.689 1.00 0.00 H new ATOM 0 HH22 ARG A 106 8.926 -9.239 11.318 1.00 0.00 H new ATOM 1693 N TYR A 107 4.957 -4.213 6.907 1.00 0.00 N ATOM 1694 CA TYR A 107 5.371 -3.093 7.744 1.00 0.00 C ATOM 1695 C TYR A 107 5.215 -1.770 7.008 1.00 0.00 C ATOM 1696 O TYR A 107 6.116 -1.343 6.285 1.00 0.00 O ATOM 1697 CB TYR A 107 6.824 -3.247 8.182 1.00 0.00 C ATOM 1698 CG TYR A 107 7.298 -2.074 9.003 1.00 0.00 C ATOM 1699 CD1 TYR A 107 6.955 -1.968 10.341 1.00 0.00 C ATOM 1700 CD2 TYR A 107 8.062 -1.063 8.436 1.00 0.00 C ATOM 1701 CE1 TYR A 107 7.363 -0.891 11.097 1.00 0.00 C ATOM 1702 CE2 TYR A 107 8.473 0.021 9.185 1.00 0.00 C ATOM 1703 CZ TYR A 107 8.121 0.103 10.516 1.00 0.00 C ATOM 1704 OH TYR A 107 8.527 1.182 11.267 1.00 0.00 O ATOM 0 H TYR A 107 4.851 -3.983 5.919 1.00 0.00 H new ATOM 0 HA TYR A 107 4.726 -3.093 8.622 1.00 0.00 H new ATOM 0 HB2 TYR A 107 6.931 -4.163 8.764 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.458 -3.352 7.302 1.00 0.00 H new ATOM 0 HD1 TYR A 107 6.358 -2.743 10.799 1.00 0.00 H new ATOM 0 HD2 TYR A 107 8.339 -1.126 7.394 1.00 0.00 H new ATOM 0 HE1 TYR A 107 7.090 -0.826 12.140 1.00 0.00 H new ATOM 0 HE2 TYR A 107 9.067 0.801 8.731 1.00 0.00 H new ATOM 0 HH TYR A 107 7.949 1.950 11.075 1.00 0.00 H new ATOM 1714 N PRO A 108 4.076 -1.090 7.186 1.00 0.00 N ATOM 1715 CA PRO A 108 3.830 0.194 6.543 1.00 0.00 C ATOM 1716 C PRO A 108 5.008 1.149 6.725 1.00 0.00 C ATOM 1717 O PRO A 108 5.620 1.197 7.791 1.00 0.00 O ATOM 1718 CB PRO A 108 2.574 0.726 7.250 1.00 0.00 C ATOM 1719 CG PRO A 108 2.353 -0.178 8.418 1.00 0.00 C ATOM 1720 CD PRO A 108 2.946 -1.498 8.026 1.00 0.00 C ATOM 0 HA PRO A 108 3.701 0.099 5.465 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.715 1.757 7.574 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.714 0.717 6.580 1.00 0.00 H new ATOM 0 HG2 PRO A 108 2.832 0.216 9.314 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.291 -0.277 8.641 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.270 -2.073 8.894 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.235 -2.118 7.480 1.00 0.00 H new ATOM 1728 N VAL A 109 5.330 1.894 5.673 1.00 0.00 N ATOM 1729 CA VAL A 109 6.432 2.829 5.699 1.00 0.00 C ATOM 1730 C VAL A 109 5.983 4.188 5.174 1.00 0.00 C ATOM 1731 O VAL A 109 5.320 4.271 4.140 1.00 0.00 O ATOM 1732 CB VAL A 109 7.590 2.310 4.832 1.00 0.00 C ATOM 1733 CG1 VAL A 109 7.644 3.070 3.520 1.00 0.00 C ATOM 1734 CG2 VAL A 109 8.910 2.401 5.576 1.00 0.00 C ATOM 0 H VAL A 109 4.831 1.862 4.784 1.00 0.00 H new ATOM 0 HA VAL A 109 6.770 2.933 6.730 1.00 0.00 H new ATOM 0 HB VAL A 109 7.412 1.258 4.610 1.00 0.00 H new ATOM 0 HG11 VAL A 109 8.468 2.693 2.915 1.00 0.00 H new ATOM 0 HG12 VAL A 109 6.706 2.933 2.981 1.00 0.00 H new ATOM 0 HG13 VAL A 109 7.796 4.131 3.720 1.00 0.00 H new ATOM 0 HG21 VAL A 109 9.713 2.027 4.940 1.00 0.00 H new ATOM 0 HG22 VAL A 109 9.109 3.440 5.839 1.00 0.00 H new ATOM 0 HG23 VAL A 109 8.858 1.801 6.484 1.00 0.00 H new ATOM 1744 N CYS A 110 6.339 5.248 5.885 1.00 0.00 N ATOM 1745 CA CYS A 110 5.960 6.592 5.476 1.00 0.00 C ATOM 1746 C CYS A 110 7.176 7.504 5.410 1.00 0.00 C ATOM 1747 O CYS A 110 7.602 8.071 6.417 1.00 0.00 O ATOM 1748 CB CYS A 110 4.916 7.166 6.433 1.00 0.00 C ATOM 1749 SG CYS A 110 5.250 8.862 6.964 1.00 0.00 S ATOM 0 H CYS A 110 6.887 5.204 6.744 1.00 0.00 H new ATOM 0 HA CYS A 110 5.525 6.533 4.478 1.00 0.00 H new ATOM 0 HB2 CYS A 110 3.940 7.134 5.949 1.00 0.00 H new ATOM 0 HB3 CYS A 110 4.856 6.527 7.314 1.00 0.00 H new ATOM 0 HG CYS A 110 6.496 8.968 7.319 1.00 0.00 H new ATOM 1755 N GLY A 111 7.729 7.638 4.213 1.00 0.00 N ATOM 1756 CA GLY A 111 8.895 8.480 4.021 1.00 0.00 C ATOM 1757 C GLY A 111 10.065 8.058 4.888 1.00 0.00 C ATOM 1758 O GLY A 111 9.875 7.582 6.007 1.00 0.00 O ATOM 0 H GLY A 111 7.391 7.178 3.368 1.00 0.00 H new ATOM 0 HA2 GLY A 111 9.193 8.448 2.973 1.00 0.00 H new ATOM 0 HA3 GLY A 111 8.634 9.514 4.247 1.00 0.00 H new HETATM 1762 N NH2 A 112 11.280 8.226 4.379 1.00 0.00 N TER 1765 NH2 A 112