USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=40 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+ -142:sc= -2.16! (180deg=-2.66!) USER MOD Set 1.2: A 107 TYR OH : rot -88:sc= 1.24 USER MOD Set 2.1: A 92 GLN :FLIP amide:sc= -2.56 F(o=-15!,f=-14) USER MOD Set 2.2: A 95 GLN : amide:sc= -11.5! C(o=-14!,f=-27!) USER MOD Set 3.1: A 81 LYS NZ :NH3+ -126:sc= -7.46! (180deg=-10.8!) USER MOD Set 3.2: A 82 TYR OH : rot 180:sc= 0.636 USER MOD Set 3.3: A 93 TYR OH : rot -149:sc= -4.3! USER MOD Set 3.4: A 94 HIS :FLIP no HE2:sc= -43.3! C(o=-56!,f=-54!) USER MOD Set 4.1: A 39 SER OG : rot 130:sc= -2.43! USER MOD Set 4.2: A 44 THR OG1 : rot 78:sc= -1.95! USER MOD Set 4.3: A 46 THR OG1 : rot 66:sc= -1.28 USER MOD Set 4.4: A 65 HIS : no HE2:sc= -23.9! C(o=-30!,f=-41!) USER MOD Set 5.1: A 62 LYS NZ :NH3+ -154:sc= 1.13 (180deg=0.167) USER MOD Set 5.2: A 64 TYR OH : rot -130:sc= -2.8! USER MOD Set 6.1: A 48 SER OG : rot -24:sc= -5.37! USER MOD Set 6.2: A 63 HIS : no HD1:sc= -22.2! C(o=-28!,f=-40!) USER MOD Set 7.1: A 13 ASN :FLIP amide:sc= -17.3! C(o=-59!,f=-52!) USER MOD Set 7.2: A 35 MET CE :methyl -149:sc= -34.9! (180deg=-27.9!) USER MOD Set 8.1: A 4 ASN : amide:sc= 0.541 K(o=1.8,f=0.063) USER MOD Set 8.2: A 86 SER OG : rot 139:sc= 1.22 USER MOD Single : A 5 ASN : amide:sc= -1.18 K(o=-1.2,f=-1.9) USER MOD Single : A 8 THR OG1 : rot 18:sc= 0.728! USER MOD Single : A 9 TYR OH : rot 153:sc= -3.76! USER MOD Single : A 12 TYR OH : rot 110:sc= -2.36! USER MOD Single : A 14 LYS NZ :NH3+ 160:sc= -1.06 (180deg=-1.87) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 167:sc= -0.378 (180deg=-0.881) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -74:sc= -0.0821 USER MOD Single : A 41 THR OG1 : rot -172:sc= -8.32! USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -108:sc= -12.8! USER MOD Single : A 52 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0749) USER MOD Single : A 56 SER OG : rot -56:sc= 0.606 USER MOD Single : A 58 ASN : amide:sc= -3.76! C(o=-3.8!,f=-9.3!) USER MOD Single : A 60 CYS SG : rot 180:sc= -8.18! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -54:sc= 0.666 USER MOD Single : A 70 ASN :FLIP amide:sc= -0.542 F(o=-1.1,f=-0.54) USER MOD Single : A 72 SER OG : rot 63:sc= 1.1 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot -76:sc= 0.321 USER MOD Single : A 77 TYR OH : rot 150:sc= -1.34! USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN :FLIP amide:sc= -1.69 F(o=-5.2!,f=-1.7) USER MOD Single : A 103 THR OG1 : rot -59:sc= 0.865 USER MOD Single : A 110 CYS SG : rot 41:sc= 0.595 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 3 -13.134 10.975 3.442 1.00 0.00 C HETATM 2 O ACE A 3 -12.694 10.370 2.466 1.00 0.00 O HETATM 3 CH3 ACE A 3 -14.273 11.954 3.294 1.00 0.00 C HETATM 0 H1 ACE A 3 -15.114 11.629 3.907 1.00 0.00 H new HETATM 0 H2 ACE A 3 -13.948 12.942 3.619 1.00 0.00 H new HETATM 0 H3 ACE A 3 -14.581 11.998 2.249 1.00 0.00 H new ATOM 7 N ASN A 4 -12.651 10.819 4.670 1.00 0.00 N ATOM 8 CA ASN A 4 -11.550 9.904 4.946 1.00 0.00 C ATOM 9 C ASN A 4 -10.232 10.467 4.425 1.00 0.00 C ATOM 10 O ASN A 4 -10.191 11.107 3.375 1.00 0.00 O ATOM 11 CB ASN A 4 -11.821 8.539 4.313 1.00 0.00 C ATOM 12 CG ASN A 4 -12.557 7.602 5.251 1.00 0.00 C ATOM 13 OD1 ASN A 4 -12.222 6.423 5.357 1.00 0.00 O ATOM 14 ND2 ASN A 4 -13.566 8.124 5.938 1.00 0.00 N ATOM 0 H ASN A 4 -13.004 11.314 5.489 1.00 0.00 H new ATOM 0 HA ASN A 4 -11.472 9.785 6.027 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -12.407 8.673 3.404 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -10.875 8.084 4.018 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -14.098 7.542 6.585 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -13.809 9.107 5.819 1.00 0.00 H new ATOM 21 N ASN A 5 -9.155 10.224 5.167 1.00 0.00 N ATOM 22 CA ASN A 5 -7.836 10.706 4.779 1.00 0.00 C ATOM 23 C ASN A 5 -6.738 9.900 5.465 1.00 0.00 C ATOM 24 O ASN A 5 -6.287 10.248 6.555 1.00 0.00 O ATOM 25 CB ASN A 5 -7.688 12.188 5.128 1.00 0.00 C ATOM 26 CG ASN A 5 -8.362 13.091 4.114 1.00 0.00 C ATOM 27 OD1 ASN A 5 -8.201 12.916 2.905 1.00 0.00 O ATOM 28 ND2 ASN A 5 -9.121 14.066 4.601 1.00 0.00 N ATOM 0 H ASN A 5 -9.171 9.696 6.040 1.00 0.00 H new ATOM 0 HA ASN A 5 -7.735 10.581 3.701 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -8.116 12.371 6.114 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -6.629 12.440 5.188 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -9.598 14.706 3.966 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.227 14.175 5.610 1.00 0.00 H new ATOM 35 N LEU A 6 -6.315 8.817 4.819 1.00 0.00 N ATOM 36 CA LEU A 6 -5.271 7.956 5.373 1.00 0.00 C ATOM 37 C LEU A 6 -3.945 8.688 5.493 1.00 0.00 C ATOM 38 O LEU A 6 -2.922 8.077 5.799 1.00 0.00 O ATOM 39 CB LEU A 6 -5.062 6.696 4.527 1.00 0.00 C ATOM 40 CG LEU A 6 -5.738 6.676 3.161 1.00 0.00 C ATOM 41 CD1 LEU A 6 -4.851 5.963 2.154 1.00 0.00 C ATOM 42 CD2 LEU A 6 -7.085 5.991 3.269 1.00 0.00 C ATOM 0 H LEU A 6 -6.677 8.514 3.915 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.615 7.667 6.366 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.991 6.557 4.380 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.419 5.839 5.097 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.894 7.699 2.818 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.341 5.953 1.180 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.898 6.485 2.075 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.677 4.939 2.483 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.566 5.978 2.291 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.946 4.968 3.619 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.713 6.533 3.975 1.00 0.00 H new ATOM 54 N GLU A 7 -3.954 9.986 5.248 1.00 0.00 N ATOM 55 CA GLU A 7 -2.732 10.770 5.331 1.00 0.00 C ATOM 56 C GLU A 7 -2.163 10.753 6.747 1.00 0.00 C ATOM 57 O GLU A 7 -1.674 11.769 7.242 1.00 0.00 O ATOM 58 CB GLU A 7 -2.985 12.209 4.881 1.00 0.00 C ATOM 59 CG GLU A 7 -4.130 12.884 5.617 1.00 0.00 C ATOM 60 CD GLU A 7 -3.770 14.275 6.104 1.00 0.00 C ATOM 61 OE1 GLU A 7 -2.574 14.629 6.056 1.00 0.00 O ATOM 62 OE2 GLU A 7 -4.685 15.008 6.533 1.00 0.00 O ATOM 0 H GLU A 7 -4.786 10.517 4.992 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.999 10.317 4.663 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -2.076 12.792 5.028 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.198 12.214 3.812 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -4.995 12.947 4.957 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.423 12.269 6.468 1.00 0.00 H new ATOM 69 N THR A 8 -2.227 9.593 7.392 1.00 0.00 N ATOM 70 CA THR A 8 -1.715 9.442 8.748 1.00 0.00 C ATOM 71 C THR A 8 -1.211 8.021 9.001 1.00 0.00 C ATOM 72 O THR A 8 -0.815 7.690 10.118 1.00 0.00 O ATOM 73 CB THR A 8 -2.802 9.795 9.764 1.00 0.00 C ATOM 74 OG1 THR A 8 -2.535 9.187 11.015 1.00 0.00 O ATOM 75 CG2 THR A 8 -4.188 9.367 9.331 1.00 0.00 C ATOM 0 H THR A 8 -2.629 8.743 6.996 1.00 0.00 H new ATOM 0 HA THR A 8 -0.874 10.125 8.864 1.00 0.00 H new ATOM 0 HB THR A 8 -2.783 10.882 9.841 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.595 8.914 11.052 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.911 9.647 10.097 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.444 9.859 8.393 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.208 8.286 9.191 1.00 0.00 H new ATOM 83 N TYR A 9 -1.226 7.178 7.966 1.00 0.00 N ATOM 84 CA TYR A 9 -0.767 5.802 8.108 1.00 0.00 C ATOM 85 C TYR A 9 0.719 5.681 7.825 1.00 0.00 C ATOM 86 O TYR A 9 1.212 6.163 6.806 1.00 0.00 O ATOM 87 CB TYR A 9 -1.550 4.877 7.179 1.00 0.00 C ATOM 88 CG TYR A 9 -3.014 4.830 7.532 1.00 0.00 C ATOM 89 CD1 TYR A 9 -3.461 4.028 8.572 1.00 0.00 C ATOM 90 CD2 TYR A 9 -3.947 5.601 6.845 1.00 0.00 C ATOM 91 CE1 TYR A 9 -4.794 3.989 8.921 1.00 0.00 C ATOM 92 CE2 TYR A 9 -5.286 5.566 7.194 1.00 0.00 C ATOM 93 CZ TYR A 9 -5.703 4.762 8.230 1.00 0.00 C ATOM 94 OH TYR A 9 -7.033 4.728 8.577 1.00 0.00 O ATOM 0 H TYR A 9 -1.549 7.424 7.030 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.942 5.503 9.141 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.436 5.216 6.149 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -1.132 3.872 7.232 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.752 3.423 9.118 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.623 6.233 6.031 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.125 3.356 9.731 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.002 6.168 6.654 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.456 5.578 8.335 1.00 0.00 H new ATOM 104 N GLU A 10 1.424 5.027 8.734 1.00 0.00 N ATOM 105 CA GLU A 10 2.853 4.828 8.586 1.00 0.00 C ATOM 106 C GLU A 10 3.191 4.469 7.147 1.00 0.00 C ATOM 107 O GLU A 10 4.324 4.646 6.703 1.00 0.00 O ATOM 108 CB GLU A 10 3.326 3.714 9.518 1.00 0.00 C ATOM 109 CG GLU A 10 4.422 2.850 8.923 1.00 0.00 C ATOM 110 CD GLU A 10 5.469 2.450 9.946 1.00 0.00 C ATOM 111 OE1 GLU A 10 5.088 1.917 11.009 1.00 0.00 O ATOM 112 OE2 GLU A 10 6.671 2.670 9.682 1.00 0.00 O ATOM 0 H GLU A 10 1.027 4.625 9.583 1.00 0.00 H new ATOM 0 HA GLU A 10 3.361 5.756 8.848 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.687 4.157 10.446 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.476 3.082 9.776 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.978 1.952 8.492 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.903 3.390 8.108 1.00 0.00 H new ATOM 119 N TRP A 11 2.206 3.936 6.432 1.00 0.00 N ATOM 120 CA TRP A 11 2.402 3.517 5.053 1.00 0.00 C ATOM 121 C TRP A 11 1.946 4.570 4.041 1.00 0.00 C ATOM 122 O TRP A 11 2.525 4.695 2.962 1.00 0.00 O ATOM 123 CB TRP A 11 1.620 2.239 4.821 1.00 0.00 C ATOM 124 CG TRP A 11 0.268 2.260 5.474 1.00 0.00 C ATOM 125 CD1 TRP A 11 -0.094 1.732 6.685 1.00 0.00 C ATOM 126 CD2 TRP A 11 -0.912 2.834 4.922 1.00 0.00 C ATOM 127 NE1 TRP A 11 -1.443 1.940 6.902 1.00 0.00 N ATOM 128 CE2 TRP A 11 -1.963 2.618 5.831 1.00 0.00 C ATOM 129 CE3 TRP A 11 -1.174 3.509 3.739 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -3.262 3.057 5.581 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -2.457 3.944 3.489 1.00 0.00 C ATOM 132 CH2 TRP A 11 -3.488 3.716 4.405 1.00 0.00 C ATOM 0 H TRP A 11 1.262 3.785 6.788 1.00 0.00 H new ATOM 0 HA TRP A 11 3.471 3.367 4.902 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.499 2.082 3.749 1.00 0.00 H new ATOM 0 HB3 TRP A 11 2.191 1.394 5.205 1.00 0.00 H new ATOM 0 HD1 TRP A 11 0.574 1.229 7.368 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -1.966 1.638 7.724 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.384 3.691 3.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.059 2.883 6.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.670 4.470 2.570 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.484 4.068 4.179 1.00 0.00 H new ATOM 143 N TYR A 12 0.885 5.296 4.367 1.00 0.00 N ATOM 144 CA TYR A 12 0.351 6.295 3.449 1.00 0.00 C ATOM 145 C TYR A 12 1.348 7.400 3.135 1.00 0.00 C ATOM 146 O TYR A 12 2.086 7.864 4.004 1.00 0.00 O ATOM 147 CB TYR A 12 -0.924 6.923 3.992 1.00 0.00 C ATOM 148 CG TYR A 12 -1.594 7.807 2.971 1.00 0.00 C ATOM 149 CD1 TYR A 12 -2.379 7.259 1.971 1.00 0.00 C ATOM 150 CD2 TYR A 12 -1.428 9.184 2.996 1.00 0.00 C ATOM 151 CE1 TYR A 12 -2.985 8.058 1.024 1.00 0.00 C ATOM 152 CE2 TYR A 12 -2.030 9.992 2.055 1.00 0.00 C ATOM 153 CZ TYR A 12 -2.809 9.425 1.070 1.00 0.00 C ATOM 154 OH TYR A 12 -3.413 10.225 0.127 1.00 0.00 O ATOM 0 H TYR A 12 0.381 5.214 5.250 1.00 0.00 H new ATOM 0 HA TYR A 12 0.134 5.758 2.526 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.613 6.137 4.300 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.690 7.508 4.881 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.519 6.189 1.932 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -0.817 9.631 3.766 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.594 7.615 0.250 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.892 11.063 2.090 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.130 10.743 0.548 1.00 0.00 H new ATOM 164 N ASN A 13 1.340 7.823 1.875 1.00 0.00 N ATOM 165 CA ASN A 13 2.215 8.886 1.404 1.00 0.00 C ATOM 166 C ASN A 13 1.515 9.716 0.336 1.00 0.00 C ATOM 167 O ASN A 13 1.494 9.341 -0.836 1.00 0.00 O ATOM 168 CB ASN A 13 3.497 8.290 0.839 1.00 0.00 C ATOM 169 CG ASN A 13 4.418 7.805 1.932 1.00 0.00 C ATOM 170 OD1 ASN A 13 4.007 6.738 2.596 1.00 0.00 O flip ATOM 171 ND2 ASN A 13 5.479 8.380 2.176 1.00 0.00 N flip ATOM 0 H ASN A 13 0.728 7.439 1.155 1.00 0.00 H new ATOM 0 HA ASN A 13 2.461 9.534 2.245 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.251 7.460 0.176 1.00 0.00 H new ATOM 0 HB3 ASN A 13 4.011 9.038 0.236 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.751 9.200 1.634 1.00 0.00 H new ATOM 0 HD22 ASN A 13 6.086 8.036 2.920 1.00 0.00 H new ATOM 178 N LYS A 14 0.936 10.840 0.739 1.00 0.00 N ATOM 179 CA LYS A 14 0.239 11.703 -0.201 1.00 0.00 C ATOM 180 C LYS A 14 1.197 12.236 -1.260 1.00 0.00 C ATOM 181 O LYS A 14 2.411 12.262 -1.059 1.00 0.00 O ATOM 182 CB LYS A 14 -0.426 12.871 0.521 1.00 0.00 C ATOM 183 CG LYS A 14 -1.921 12.692 0.710 1.00 0.00 C ATOM 184 CD LYS A 14 -2.375 13.189 2.072 1.00 0.00 C ATOM 185 CE LYS A 14 -2.135 14.682 2.229 1.00 0.00 C ATOM 186 NZ LYS A 14 -2.209 15.396 0.924 1.00 0.00 N ATOM 0 H LYS A 14 0.936 11.172 1.703 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.531 11.105 -0.688 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.043 13.000 1.497 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.246 13.787 -0.042 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.455 13.233 -0.072 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.179 11.638 0.602 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.435 12.974 2.204 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.841 12.649 2.854 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.874 15.099 2.913 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.156 14.847 2.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.380 16.408 1.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.312 15.276 0.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.987 15.003 0.357 1.00 0.00 H new ATOM 200 N SER A 15 0.640 12.665 -2.385 1.00 0.00 N ATOM 201 CA SER A 15 1.434 13.210 -3.484 1.00 0.00 C ATOM 202 C SER A 15 2.569 12.267 -3.897 1.00 0.00 C ATOM 203 O SER A 15 3.253 12.516 -4.890 1.00 0.00 O ATOM 204 CB SER A 15 2.011 14.571 -3.092 1.00 0.00 C ATOM 205 OG SER A 15 2.012 15.462 -4.195 1.00 0.00 O ATOM 0 H SER A 15 -0.364 12.647 -2.563 1.00 0.00 H new ATOM 0 HA SER A 15 0.769 13.324 -4.340 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.425 14.997 -2.277 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.028 14.445 -2.721 1.00 0.00 H new ATOM 0 HG SER A 15 2.384 16.325 -3.918 1.00 0.00 H new ATOM 211 N ILE A 16 2.775 11.198 -3.133 1.00 0.00 N ATOM 212 CA ILE A 16 3.834 10.245 -3.425 1.00 0.00 C ATOM 213 C ILE A 16 3.649 9.573 -4.776 1.00 0.00 C ATOM 214 O ILE A 16 2.545 9.513 -5.317 1.00 0.00 O ATOM 215 CB ILE A 16 3.904 9.155 -2.347 1.00 0.00 C ATOM 216 CG1 ILE A 16 5.216 9.255 -1.590 1.00 0.00 C ATOM 217 CG2 ILE A 16 3.751 7.772 -2.963 1.00 0.00 C ATOM 218 CD1 ILE A 16 5.767 7.907 -1.184 1.00 0.00 C ATOM 0 H ILE A 16 2.221 10.972 -2.307 1.00 0.00 H new ATOM 0 HA ILE A 16 4.761 10.818 -3.442 1.00 0.00 H new ATOM 0 HB ILE A 16 3.081 9.307 -1.649 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.949 9.769 -2.211 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.069 9.865 -0.699 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.804 7.017 -2.179 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.788 7.703 -3.468 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.552 7.604 -3.683 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.705 8.044 -0.647 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.050 7.400 -0.538 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.944 7.303 -2.074 1.00 0.00 H new ATOM 230 N SER A 17 4.751 9.054 -5.301 1.00 0.00 N ATOM 231 CA SER A 17 4.751 8.360 -6.577 1.00 0.00 C ATOM 232 C SER A 17 5.351 6.970 -6.412 1.00 0.00 C ATOM 233 O SER A 17 5.604 6.524 -5.292 1.00 0.00 O ATOM 234 CB SER A 17 5.548 9.155 -7.608 1.00 0.00 C ATOM 235 OG SER A 17 4.705 10.020 -8.350 1.00 0.00 O ATOM 0 H SER A 17 5.666 9.103 -4.854 1.00 0.00 H new ATOM 0 HA SER A 17 3.723 8.264 -6.926 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.319 9.738 -7.105 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.057 8.470 -8.285 1.00 0.00 H new ATOM 0 HG SER A 17 5.240 10.519 -9.002 1.00 0.00 H new ATOM 241 N ARG A 18 5.585 6.289 -7.525 1.00 0.00 N ATOM 242 CA ARG A 18 6.164 4.953 -7.484 1.00 0.00 C ATOM 243 C ARG A 18 7.654 5.016 -7.152 1.00 0.00 C ATOM 244 O ARG A 18 8.172 4.185 -6.408 1.00 0.00 O ATOM 245 CB ARG A 18 5.958 4.243 -8.823 1.00 0.00 C ATOM 246 CG ARG A 18 6.428 5.051 -10.020 1.00 0.00 C ATOM 247 CD ARG A 18 6.926 4.151 -11.139 1.00 0.00 C ATOM 248 NE ARG A 18 5.943 3.134 -11.500 1.00 0.00 N ATOM 249 CZ ARG A 18 6.260 1.882 -11.814 1.00 0.00 C ATOM 250 NH1 ARG A 18 7.529 1.496 -11.812 1.00 0.00 N ATOM 251 NH2 ARG A 18 5.309 1.014 -12.132 1.00 0.00 N ATOM 0 H ARG A 18 5.384 6.637 -8.463 1.00 0.00 H new ATOM 0 HA ARG A 18 5.658 4.389 -6.700 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.490 3.292 -8.806 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.899 4.013 -8.944 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.609 5.670 -10.387 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.226 5.727 -9.713 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.160 4.757 -12.015 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.852 3.667 -10.830 1.00 0.00 H new ATOM 0 HE ARG A 18 4.958 3.399 -11.512 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.264 2.160 -11.569 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.770 0.535 -12.053 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.332 1.307 -12.136 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.555 0.054 -12.373 1.00 0.00 H new ATOM 265 N ASP A 19 8.336 6.006 -7.716 1.00 0.00 N ATOM 266 CA ASP A 19 9.767 6.178 -7.491 1.00 0.00 C ATOM 267 C ASP A 19 10.057 6.707 -6.089 1.00 0.00 C ATOM 268 O ASP A 19 11.017 6.283 -5.443 1.00 0.00 O ATOM 269 CB ASP A 19 10.352 7.133 -8.532 1.00 0.00 C ATOM 270 CG ASP A 19 10.369 6.533 -9.924 1.00 0.00 C ATOM 271 OD1 ASP A 19 10.485 5.295 -10.034 1.00 0.00 O ATOM 272 OD2 ASP A 19 10.266 7.302 -10.903 1.00 0.00 O ATOM 0 H ASP A 19 7.920 6.703 -8.334 1.00 0.00 H new ATOM 0 HA ASP A 19 10.236 5.199 -7.587 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.769 8.054 -8.544 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.368 7.402 -8.243 1.00 0.00 H new ATOM 277 N LYS A 20 9.234 7.641 -5.626 1.00 0.00 N ATOM 278 CA LYS A 20 9.416 8.232 -4.306 1.00 0.00 C ATOM 279 C LYS A 20 9.217 7.198 -3.204 1.00 0.00 C ATOM 280 O LYS A 20 10.063 7.047 -2.307 1.00 0.00 O ATOM 281 CB LYS A 20 8.440 9.394 -4.111 1.00 0.00 C ATOM 282 CG LYS A 20 8.790 10.294 -2.937 1.00 0.00 C ATOM 283 CD LYS A 20 8.857 9.511 -1.636 1.00 0.00 C ATOM 284 CE LYS A 20 8.222 10.280 -0.490 1.00 0.00 C ATOM 285 NZ LYS A 20 9.044 11.453 -0.085 1.00 0.00 N ATOM 0 H LYS A 20 8.435 8.005 -6.145 1.00 0.00 H new ATOM 0 HA LYS A 20 10.439 8.603 -4.243 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.415 9.993 -5.022 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.437 8.994 -3.964 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.749 10.778 -3.121 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.045 11.085 -2.849 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.349 8.554 -1.759 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.897 9.291 -1.396 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.229 10.618 -0.786 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.092 9.616 0.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.484 12.071 0.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.890 11.125 0.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.333 11.984 -0.932 1.00 0.00 H new ATOM 299 N ALA A 21 8.095 6.484 -3.261 1.00 0.00 N ATOM 300 CA ALA A 21 7.817 5.482 -2.252 1.00 0.00 C ATOM 301 C ALA A 21 8.974 4.502 -2.143 1.00 0.00 C ATOM 302 O ALA A 21 9.489 4.250 -1.053 1.00 0.00 O ATOM 303 CB ALA A 21 6.514 4.758 -2.508 1.00 0.00 C ATOM 0 H ALA A 21 7.380 6.582 -3.982 1.00 0.00 H new ATOM 0 HA ALA A 21 7.707 6.000 -1.299 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.350 4.017 -1.725 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.693 5.475 -2.507 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.559 4.259 -3.476 1.00 0.00 H new ATOM 309 N GLU A 22 9.410 3.972 -3.279 1.00 0.00 N ATOM 310 CA GLU A 22 10.536 3.057 -3.278 1.00 0.00 C ATOM 311 C GLU A 22 11.725 3.761 -2.645 1.00 0.00 C ATOM 312 O GLU A 22 12.444 3.193 -1.816 1.00 0.00 O ATOM 313 CB GLU A 22 10.873 2.610 -4.702 1.00 0.00 C ATOM 314 CG GLU A 22 9.751 1.844 -5.382 1.00 0.00 C ATOM 315 CD GLU A 22 10.263 0.793 -6.347 1.00 0.00 C ATOM 316 OE1 GLU A 22 11.493 0.571 -6.386 1.00 0.00 O ATOM 317 OE2 GLU A 22 9.436 0.192 -7.065 1.00 0.00 O ATOM 0 H GLU A 22 9.006 4.158 -4.197 1.00 0.00 H new ATOM 0 HA GLU A 22 10.284 2.165 -2.705 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.117 3.487 -5.301 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.765 1.984 -4.676 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.132 1.365 -4.624 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.112 2.544 -5.919 1.00 0.00 H new ATOM 324 N LYS A 23 11.897 5.029 -3.023 1.00 0.00 N ATOM 325 CA LYS A 23 12.965 5.846 -2.481 1.00 0.00 C ATOM 326 C LYS A 23 12.863 5.864 -0.967 1.00 0.00 C ATOM 327 O LYS A 23 13.830 5.563 -0.267 1.00 0.00 O ATOM 328 CB LYS A 23 12.881 7.273 -3.023 1.00 0.00 C ATOM 329 CG LYS A 23 12.479 8.288 -1.967 1.00 0.00 C ATOM 330 CD LYS A 23 12.267 9.668 -2.563 1.00 0.00 C ATOM 331 CE LYS A 23 11.704 10.634 -1.532 1.00 0.00 C ATOM 332 NZ LYS A 23 12.755 11.534 -0.981 1.00 0.00 N ATOM 0 H LYS A 23 11.305 5.506 -3.704 1.00 0.00 H new ATOM 0 HA LYS A 23 13.923 5.420 -2.781 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.848 7.555 -3.440 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.161 7.303 -3.840 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.563 7.959 -1.477 1.00 0.00 H new ATOM 0 HG3 LYS A 23 13.251 8.338 -1.199 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.213 10.051 -2.945 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.585 9.600 -3.411 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.916 11.233 -1.988 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.246 10.071 -0.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.330 12.177 -0.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.495 10.964 -0.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.175 12.091 -1.753 1.00 0.00 H new ATOM 346 N LEU A 24 11.675 6.196 -0.457 1.00 0.00 N ATOM 347 CA LEU A 24 11.473 6.215 0.987 1.00 0.00 C ATOM 348 C LEU A 24 11.454 4.793 1.524 1.00 0.00 C ATOM 349 O LEU A 24 11.836 4.547 2.668 1.00 0.00 O ATOM 350 CB LEU A 24 10.191 6.972 1.374 1.00 0.00 C ATOM 351 CG LEU A 24 8.916 6.134 1.561 1.00 0.00 C ATOM 352 CD1 LEU A 24 8.285 5.839 0.216 1.00 0.00 C ATOM 353 CD2 LEU A 24 9.188 4.848 2.331 1.00 0.00 C ATOM 0 H LEU A 24 10.857 6.450 -1.011 1.00 0.00 H new ATOM 0 HA LEU A 24 12.306 6.752 1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.382 7.510 2.303 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.995 7.721 0.607 1.00 0.00 H new ATOM 0 HG LEU A 24 8.216 6.719 2.158 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.383 5.245 0.360 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.028 6.776 -0.278 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.990 5.284 -0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.260 4.286 2.441 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.915 4.245 1.787 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.583 5.091 3.317 1.00 0.00 H new ATOM 365 N LEU A 25 11.025 3.850 0.687 1.00 0.00 N ATOM 366 CA LEU A 25 10.980 2.455 1.088 1.00 0.00 C ATOM 367 C LEU A 25 12.391 1.946 1.317 1.00 0.00 C ATOM 368 O LEU A 25 12.668 1.264 2.304 1.00 0.00 O ATOM 369 CB LEU A 25 10.284 1.607 0.025 1.00 0.00 C ATOM 370 CG LEU A 25 8.871 1.145 0.385 1.00 0.00 C ATOM 371 CD1 LEU A 25 8.777 0.834 1.868 1.00 0.00 C ATOM 372 CD2 LEU A 25 7.844 2.191 -0.016 1.00 0.00 C ATOM 0 H LEU A 25 10.707 4.030 -0.265 1.00 0.00 H new ATOM 0 HA LEU A 25 10.410 2.376 2.014 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.237 2.180 -0.901 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.897 0.728 -0.175 1.00 0.00 H new ATOM 0 HG LEU A 25 8.655 0.232 -0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.765 0.507 2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.483 0.043 2.119 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.015 1.729 2.443 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.846 1.842 0.249 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.052 3.125 0.507 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.896 2.358 -1.092 1.00 0.00 H new ATOM 384 N LEU A 26 13.287 2.294 0.400 1.00 0.00 N ATOM 385 CA LEU A 26 14.678 1.884 0.506 1.00 0.00 C ATOM 386 C LEU A 26 15.288 2.377 1.812 1.00 0.00 C ATOM 387 O LEU A 26 16.068 1.672 2.452 1.00 0.00 O ATOM 388 CB LEU A 26 15.478 2.419 -0.675 1.00 0.00 C ATOM 389 CG LEU A 26 16.239 1.356 -1.461 1.00 0.00 C ATOM 390 CD1 LEU A 26 15.475 0.979 -2.721 1.00 0.00 C ATOM 391 CD2 LEU A 26 17.637 1.843 -1.804 1.00 0.00 C ATOM 0 H LEU A 26 13.073 2.858 -0.423 1.00 0.00 H new ATOM 0 HA LEU A 26 14.713 0.795 0.496 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.799 2.936 -1.353 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.189 3.160 -0.309 1.00 0.00 H new ATOM 0 HG LEU A 26 16.333 0.466 -0.838 1.00 0.00 H new ATOM 0 HD11 LEU A 26 16.031 0.220 -3.270 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.496 0.585 -2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 26 15.350 1.862 -3.348 1.00 0.00 H new ATOM 0 HD21 LEU A 26 18.164 1.071 -2.365 1.00 0.00 H new ATOM 0 HD22 LEU A 26 17.569 2.748 -2.408 1.00 0.00 H new ATOM 0 HD23 LEU A 26 18.182 2.060 -0.885 1.00 0.00 H new ATOM 403 N ASP A 27 14.925 3.595 2.203 1.00 0.00 N ATOM 404 CA ASP A 27 15.434 4.188 3.433 1.00 0.00 C ATOM 405 C ASP A 27 14.981 3.388 4.651 1.00 0.00 C ATOM 406 O ASP A 27 15.753 3.173 5.585 1.00 0.00 O ATOM 407 CB ASP A 27 14.964 5.637 3.558 1.00 0.00 C ATOM 408 CG ASP A 27 14.450 5.962 4.947 1.00 0.00 C ATOM 409 OD1 ASP A 27 15.274 6.299 5.821 1.00 0.00 O ATOM 410 OD2 ASP A 27 13.221 5.879 5.159 1.00 0.00 O ATOM 0 H ASP A 27 14.279 4.190 1.684 1.00 0.00 H new ATOM 0 HA ASP A 27 16.523 4.169 3.392 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.789 6.306 3.314 1.00 0.00 H new ATOM 0 HB3 ASP A 27 14.175 5.824 2.829 1.00 0.00 H new ATOM 415 N THR A 28 13.726 2.950 4.634 1.00 0.00 N ATOM 416 CA THR A 28 13.175 2.174 5.739 1.00 0.00 C ATOM 417 C THR A 28 13.977 0.897 5.958 1.00 0.00 C ATOM 418 O THR A 28 14.442 0.626 7.065 1.00 0.00 O ATOM 419 CB THR A 28 11.713 1.818 5.469 1.00 0.00 C ATOM 420 OG1 THR A 28 11.619 0.607 4.741 1.00 0.00 O ATOM 421 CG2 THR A 28 10.969 2.879 4.691 1.00 0.00 C ATOM 0 H THR A 28 13.073 3.119 3.869 1.00 0.00 H new ATOM 0 HA THR A 28 13.234 2.787 6.638 1.00 0.00 H new ATOM 0 HB THR A 28 11.254 1.726 6.453 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.887 0.763 3.811 1.00 0.00 H new ATOM 0 HG21 THR A 28 9.938 2.560 4.535 1.00 0.00 H new ATOM 0 HG22 THR A 28 10.979 3.815 5.250 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.452 3.028 3.725 1.00 0.00 H new ATOM 429 N GLY A 29 14.127 0.111 4.898 1.00 0.00 N ATOM 430 CA GLY A 29 14.865 -1.133 4.999 1.00 0.00 C ATOM 431 C GLY A 29 14.126 -2.155 5.837 1.00 0.00 C ATOM 432 O GLY A 29 14.624 -2.603 6.870 1.00 0.00 O ATOM 0 H GLY A 29 13.751 0.313 3.972 1.00 0.00 H new ATOM 0 HA2 GLY A 29 15.037 -1.536 4.001 1.00 0.00 H new ATOM 0 HA3 GLY A 29 15.844 -0.941 5.438 1.00 0.00 H new ATOM 436 N LYS A 30 12.926 -2.510 5.395 1.00 0.00 N ATOM 437 CA LYS A 30 12.096 -3.470 6.111 1.00 0.00 C ATOM 438 C LYS A 30 11.610 -4.582 5.200 1.00 0.00 C ATOM 439 O LYS A 30 11.464 -4.395 3.993 1.00 0.00 O ATOM 440 CB LYS A 30 10.877 -2.770 6.703 1.00 0.00 C ATOM 441 CG LYS A 30 11.154 -2.042 7.998 1.00 0.00 C ATOM 442 CD LYS A 30 12.031 -0.820 7.780 1.00 0.00 C ATOM 443 CE LYS A 30 12.200 -0.024 9.064 1.00 0.00 C ATOM 444 NZ LYS A 30 11.367 1.210 9.067 1.00 0.00 N ATOM 0 H LYS A 30 12.505 -2.146 4.541 1.00 0.00 H new ATOM 0 HA LYS A 30 12.712 -3.902 6.900 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.490 -2.058 5.974 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.094 -3.509 6.874 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.211 -1.737 8.453 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.642 -2.719 8.699 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.008 -1.132 7.412 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.589 -0.185 7.012 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.928 -0.647 9.916 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.249 0.246 9.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.894 1.984 9.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.136 1.475 8.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.488 1.034 9.595 1.00 0.00 H new ATOM 458 N GLU A 31 11.318 -5.731 5.797 1.00 0.00 N ATOM 459 CA GLU A 31 10.800 -6.854 5.042 1.00 0.00 C ATOM 460 C GLU A 31 9.296 -6.683 4.878 1.00 0.00 C ATOM 461 O GLU A 31 8.535 -6.830 5.834 1.00 0.00 O ATOM 462 CB GLU A 31 11.109 -8.172 5.753 1.00 0.00 C ATOM 463 CG GLU A 31 10.493 -9.387 5.078 1.00 0.00 C ATOM 464 CD GLU A 31 9.043 -9.598 5.470 1.00 0.00 C ATOM 465 OE1 GLU A 31 8.794 -10.021 6.619 1.00 0.00 O ATOM 466 OE2 GLU A 31 8.157 -9.338 4.629 1.00 0.00 O ATOM 0 H GLU A 31 11.432 -5.905 6.796 1.00 0.00 H new ATOM 0 HA GLU A 31 11.278 -6.882 4.063 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.190 -8.304 5.803 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.747 -8.115 6.780 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.560 -9.270 3.996 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.069 -10.275 5.339 1.00 0.00 H new ATOM 473 N GLY A 32 8.876 -6.359 3.664 1.00 0.00 N ATOM 474 CA GLY A 32 7.470 -6.159 3.399 1.00 0.00 C ATOM 475 C GLY A 32 7.003 -4.760 3.755 1.00 0.00 C ATOM 476 O GLY A 32 5.812 -4.542 3.979 1.00 0.00 O ATOM 0 H GLY A 32 9.487 -6.231 2.857 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.273 -6.346 2.344 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.890 -6.887 3.966 1.00 0.00 H new ATOM 480 N ALA A 33 7.931 -3.800 3.800 1.00 0.00 N ATOM 481 CA ALA A 33 7.571 -2.430 4.121 1.00 0.00 C ATOM 482 C ALA A 33 6.372 -2.019 3.288 1.00 0.00 C ATOM 483 O ALA A 33 6.283 -2.366 2.108 1.00 0.00 O ATOM 484 CB ALA A 33 8.743 -1.492 3.894 1.00 0.00 C ATOM 0 H ALA A 33 8.924 -3.950 3.620 1.00 0.00 H new ATOM 0 HA ALA A 33 7.308 -2.368 5.177 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.447 -0.473 4.142 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.577 -1.792 4.528 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.048 -1.537 2.848 1.00 0.00 H new ATOM 490 N PHE A 34 5.432 -1.324 3.912 1.00 0.00 N ATOM 491 CA PHE A 34 4.214 -0.925 3.225 1.00 0.00 C ATOM 492 C PHE A 34 3.994 0.581 3.197 1.00 0.00 C ATOM 493 O PHE A 34 4.236 1.283 4.172 1.00 0.00 O ATOM 494 CB PHE A 34 3.027 -1.586 3.895 1.00 0.00 C ATOM 495 CG PHE A 34 1.741 -0.870 3.608 1.00 0.00 C ATOM 496 CD1 PHE A 34 1.326 -0.682 2.306 1.00 0.00 C ATOM 497 CD2 PHE A 34 0.958 -0.372 4.626 1.00 0.00 C ATOM 498 CE1 PHE A 34 0.156 -0.009 2.026 1.00 0.00 C ATOM 499 CE2 PHE A 34 -0.202 0.295 4.351 1.00 0.00 C ATOM 500 CZ PHE A 34 -0.608 0.482 3.053 1.00 0.00 C ATOM 0 H PHE A 34 5.489 -1.027 4.886 1.00 0.00 H new ATOM 0 HA PHE A 34 4.319 -1.247 2.189 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.949 -2.619 3.555 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.191 -1.616 4.972 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.926 -1.067 1.495 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.264 -0.510 5.652 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.157 0.131 1.002 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.805 0.678 5.161 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.524 1.013 2.842 1.00 0.00 H new ATOM 510 N MET A 35 3.505 1.063 2.062 1.00 0.00 N ATOM 511 CA MET A 35 3.217 2.477 1.889 1.00 0.00 C ATOM 512 C MET A 35 1.989 2.667 1.006 1.00 0.00 C ATOM 513 O MET A 35 1.569 1.741 0.316 1.00 0.00 O ATOM 514 CB MET A 35 4.414 3.183 1.261 1.00 0.00 C ATOM 515 CG MET A 35 4.078 4.548 0.695 1.00 0.00 C ATOM 516 SD MET A 35 5.541 5.468 0.221 1.00 0.00 S ATOM 517 CE MET A 35 6.233 5.720 1.844 1.00 0.00 C ATOM 0 H MET A 35 3.299 0.490 1.244 1.00 0.00 H new ATOM 0 HA MET A 35 3.017 2.910 2.869 1.00 0.00 H new ATOM 0 HB2 MET A 35 5.197 3.292 2.011 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.819 2.558 0.466 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.429 4.429 -0.173 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.518 5.118 1.436 1.00 0.00 H new ATOM 0 HE1 MET A 35 6.780 6.663 1.864 1.00 0.00 H new ATOM 0 HE2 MET A 35 5.431 5.750 2.581 1.00 0.00 H new ATOM 0 HE3 MET A 35 6.913 4.901 2.081 1.00 0.00 H new ATOM 527 N VAL A 36 1.421 3.870 1.016 1.00 0.00 N ATOM 528 CA VAL A 36 0.252 4.159 0.188 1.00 0.00 C ATOM 529 C VAL A 36 0.319 5.556 -0.396 1.00 0.00 C ATOM 530 O VAL A 36 0.911 6.460 0.191 1.00 0.00 O ATOM 531 CB VAL A 36 -1.072 4.000 0.951 1.00 0.00 C ATOM 532 CG1 VAL A 36 -2.249 4.392 0.072 1.00 0.00 C ATOM 533 CG2 VAL A 36 -1.219 2.573 1.439 1.00 0.00 C ATOM 0 H VAL A 36 1.746 4.654 1.582 1.00 0.00 H new ATOM 0 HA VAL A 36 0.273 3.423 -0.616 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.061 4.666 1.814 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.177 4.272 0.631 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.143 5.432 -0.236 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.273 3.753 -0.811 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.160 2.468 1.979 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.213 1.894 0.586 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.390 2.329 2.103 1.00 0.00 H new ATOM 543 N ARG A 37 -0.281 5.724 -1.564 1.00 0.00 N ATOM 544 CA ARG A 37 -0.277 7.013 -2.233 1.00 0.00 C ATOM 545 C ARG A 37 -1.540 7.210 -3.063 1.00 0.00 C ATOM 546 O ARG A 37 -1.916 6.351 -3.861 1.00 0.00 O ATOM 547 CB ARG A 37 0.977 7.128 -3.097 1.00 0.00 C ATOM 548 CG ARG A 37 0.735 6.951 -4.583 1.00 0.00 C ATOM 549 CD ARG A 37 1.775 6.026 -5.188 1.00 0.00 C ATOM 550 NE ARG A 37 1.899 6.205 -6.632 1.00 0.00 N ATOM 551 CZ ARG A 37 2.725 5.494 -7.392 1.00 0.00 C ATOM 552 NH1 ARG A 37 3.493 4.560 -6.846 1.00 0.00 N ATOM 553 NH2 ARG A 37 2.781 5.713 -8.699 1.00 0.00 N ATOM 0 H ARG A 37 -0.775 4.986 -2.066 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.265 7.803 -1.482 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.430 8.105 -2.929 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.699 6.381 -2.768 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.262 6.543 -4.748 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.769 7.920 -5.080 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.740 6.210 -4.717 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.507 4.991 -4.973 1.00 0.00 H new ATOM 0 HE ARG A 37 1.320 6.914 -7.082 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.450 4.387 -5.842 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.127 4.015 -7.431 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.189 6.428 -9.122 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.416 5.166 -9.281 1.00 0.00 H new ATOM 567 N ASP A 38 -2.198 8.347 -2.858 1.00 0.00 N ATOM 568 CA ASP A 38 -3.427 8.666 -3.573 1.00 0.00 C ATOM 569 C ASP A 38 -3.188 8.727 -5.077 1.00 0.00 C ATOM 570 O ASP A 38 -2.104 9.094 -5.530 1.00 0.00 O ATOM 571 CB ASP A 38 -3.999 9.998 -3.081 1.00 0.00 C ATOM 572 CG ASP A 38 -4.962 10.615 -4.075 1.00 0.00 C ATOM 573 OD1 ASP A 38 -4.492 11.266 -5.033 1.00 0.00 O ATOM 574 OD2 ASP A 38 -6.187 10.449 -3.896 1.00 0.00 O ATOM 0 H ASP A 38 -1.898 9.065 -2.199 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.147 7.872 -3.372 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.511 9.842 -2.132 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.181 10.694 -2.891 1.00 0.00 H new ATOM 579 N SER A 39 -4.208 8.358 -5.845 1.00 0.00 N ATOM 580 CA SER A 39 -4.109 8.365 -7.299 1.00 0.00 C ATOM 581 C SER A 39 -5.107 9.338 -7.921 1.00 0.00 C ATOM 582 O SER A 39 -4.935 9.772 -9.060 1.00 0.00 O ATOM 583 CB SER A 39 -4.345 6.958 -7.848 1.00 0.00 C ATOM 584 OG SER A 39 -5.261 6.979 -8.930 1.00 0.00 O ATOM 0 H SER A 39 -5.111 8.051 -5.485 1.00 0.00 H new ATOM 0 HA SER A 39 -3.104 8.695 -7.564 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.398 6.529 -8.177 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.728 6.315 -7.056 1.00 0.00 H new ATOM 0 HG SER A 39 -4.885 6.483 -9.687 1.00 0.00 H new ATOM 590 N ARG A 40 -6.154 9.673 -7.173 1.00 0.00 N ATOM 591 CA ARG A 40 -7.179 10.591 -7.661 1.00 0.00 C ATOM 592 C ARG A 40 -8.165 9.859 -8.567 1.00 0.00 C ATOM 593 O ARG A 40 -9.290 10.313 -8.775 1.00 0.00 O ATOM 594 CB ARG A 40 -6.534 11.752 -8.422 1.00 0.00 C ATOM 595 CG ARG A 40 -5.495 12.508 -7.611 1.00 0.00 C ATOM 596 CD ARG A 40 -6.001 13.880 -7.195 1.00 0.00 C ATOM 597 NE ARG A 40 -5.739 14.155 -5.785 1.00 0.00 N ATOM 598 CZ ARG A 40 -6.528 14.905 -5.023 1.00 0.00 C ATOM 599 NH1 ARG A 40 -7.623 15.451 -5.534 1.00 0.00 N ATOM 600 NH2 ARG A 40 -6.223 15.110 -3.749 1.00 0.00 N ATOM 0 H ARG A 40 -6.315 9.324 -6.228 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.721 10.988 -6.802 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.066 11.366 -9.328 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.313 12.447 -8.737 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.235 11.931 -6.724 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.583 12.618 -8.198 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.523 14.644 -7.808 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.073 13.944 -7.384 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.904 13.749 -5.362 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.861 15.296 -6.514 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.227 16.026 -4.947 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.382 14.692 -3.352 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.830 15.686 -3.166 1.00 0.00 H new ATOM 614 N THR A 41 -7.731 8.720 -9.093 1.00 0.00 N ATOM 615 CA THR A 41 -8.561 7.903 -9.972 1.00 0.00 C ATOM 616 C THR A 41 -9.952 7.697 -9.360 1.00 0.00 C ATOM 617 O THR A 41 -10.374 8.479 -8.508 1.00 0.00 O ATOM 618 CB THR A 41 -7.859 6.567 -10.217 1.00 0.00 C ATOM 619 OG1 THR A 41 -8.203 6.033 -11.483 1.00 0.00 O ATOM 620 CG2 THR A 41 -8.169 5.527 -9.164 1.00 0.00 C ATOM 0 H THR A 41 -6.800 8.338 -8.924 1.00 0.00 H new ATOM 0 HA THR A 41 -8.698 8.411 -10.926 1.00 0.00 H new ATOM 0 HB THR A 41 -6.793 6.791 -10.173 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.844 5.125 -11.563 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.639 4.603 -9.398 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.850 5.891 -8.188 1.00 0.00 H new ATOM 0 HG23 THR A 41 -9.242 5.336 -9.147 1.00 0.00 H new ATOM 628 N PRO A 42 -10.695 6.654 -9.784 1.00 0.00 N ATOM 629 CA PRO A 42 -12.042 6.376 -9.270 1.00 0.00 C ATOM 630 C PRO A 42 -12.180 6.575 -7.758 1.00 0.00 C ATOM 631 O PRO A 42 -13.262 6.391 -7.201 1.00 0.00 O ATOM 632 CB PRO A 42 -12.245 4.912 -9.641 1.00 0.00 C ATOM 633 CG PRO A 42 -11.498 4.759 -10.919 1.00 0.00 C ATOM 634 CD PRO A 42 -10.298 5.667 -10.811 1.00 0.00 C ATOM 0 HA PRO A 42 -12.781 7.059 -9.689 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -11.857 4.247 -8.869 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -13.301 4.674 -9.765 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.192 3.724 -11.070 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.121 5.035 -11.770 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.405 5.117 -10.513 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.073 6.148 -11.763 1.00 0.00 H new ATOM 642 N GLY A 43 -11.092 6.960 -7.096 1.00 0.00 N ATOM 643 CA GLY A 43 -11.140 7.180 -5.663 1.00 0.00 C ATOM 644 C GLY A 43 -10.319 6.181 -4.882 1.00 0.00 C ATOM 645 O GLY A 43 -10.495 6.031 -3.672 1.00 0.00 O ATOM 0 H GLY A 43 -10.181 7.123 -7.526 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.782 8.186 -5.444 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.176 7.130 -5.328 1.00 0.00 H new ATOM 649 N THR A 44 -9.421 5.495 -5.571 1.00 0.00 N ATOM 650 CA THR A 44 -8.572 4.502 -4.934 1.00 0.00 C ATOM 651 C THR A 44 -7.253 5.111 -4.471 1.00 0.00 C ATOM 652 O THR A 44 -6.924 6.248 -4.808 1.00 0.00 O ATOM 653 CB THR A 44 -8.289 3.348 -5.893 1.00 0.00 C ATOM 654 OG1 THR A 44 -6.960 2.882 -5.734 1.00 0.00 O ATOM 655 CG2 THR A 44 -8.469 3.711 -7.348 1.00 0.00 C ATOM 0 H THR A 44 -9.261 5.608 -6.572 1.00 0.00 H new ATOM 0 HA THR A 44 -9.106 4.128 -4.061 1.00 0.00 H new ATOM 0 HB THR A 44 -9.018 2.580 -5.636 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.906 2.313 -4.938 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.251 2.842 -7.969 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.497 4.030 -7.519 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.789 4.523 -7.607 1.00 0.00 H new ATOM 663 N TYR A 45 -6.503 4.332 -3.702 1.00 0.00 N ATOM 664 CA TYR A 45 -5.210 4.763 -3.186 1.00 0.00 C ATOM 665 C TYR A 45 -4.110 3.816 -3.649 1.00 0.00 C ATOM 666 O TYR A 45 -4.381 2.677 -4.022 1.00 0.00 O ATOM 667 CB TYR A 45 -5.226 4.802 -1.660 1.00 0.00 C ATOM 668 CG TYR A 45 -6.319 5.656 -1.074 1.00 0.00 C ATOM 669 CD1 TYR A 45 -7.650 5.315 -1.244 1.00 0.00 C ATOM 670 CD2 TYR A 45 -6.018 6.789 -0.335 1.00 0.00 C ATOM 671 CE1 TYR A 45 -8.659 6.083 -0.697 1.00 0.00 C ATOM 672 CE2 TYR A 45 -7.018 7.564 0.221 1.00 0.00 C ATOM 673 CZ TYR A 45 -8.338 7.207 0.036 1.00 0.00 C ATOM 674 OH TYR A 45 -9.338 7.974 0.587 1.00 0.00 O ATOM 0 H TYR A 45 -6.772 3.389 -3.420 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.013 5.764 -3.570 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.334 3.785 -1.283 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.263 5.172 -1.307 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.904 4.433 -1.814 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.985 7.071 -0.191 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.693 5.806 -0.842 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.768 8.443 0.796 1.00 0.00 H new ATOM 0 HH TYR A 45 -8.942 8.728 1.072 1.00 0.00 H new ATOM 684 N THR A 46 -2.868 4.280 -3.617 1.00 0.00 N ATOM 685 CA THR A 46 -1.741 3.445 -4.021 1.00 0.00 C ATOM 686 C THR A 46 -1.048 2.872 -2.789 1.00 0.00 C ATOM 687 O THR A 46 -1.053 3.494 -1.730 1.00 0.00 O ATOM 688 CB THR A 46 -0.742 4.245 -4.853 1.00 0.00 C ATOM 689 OG1 THR A 46 -1.411 5.038 -5.818 1.00 0.00 O ATOM 690 CG2 THR A 46 0.247 3.365 -5.582 1.00 0.00 C ATOM 0 H THR A 46 -2.615 5.222 -3.318 1.00 0.00 H new ATOM 0 HA THR A 46 -2.123 2.628 -4.633 1.00 0.00 H new ATOM 0 HB THR A 46 -0.201 4.872 -4.144 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.945 5.723 -5.365 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.933 3.987 -6.157 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.811 2.776 -4.859 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.289 2.697 -6.256 1.00 0.00 H new ATOM 698 N VAL A 47 -0.452 1.688 -2.927 1.00 0.00 N ATOM 699 CA VAL A 47 0.240 1.050 -1.808 1.00 0.00 C ATOM 700 C VAL A 47 1.664 0.659 -2.177 1.00 0.00 C ATOM 701 O VAL A 47 1.881 -0.237 -2.991 1.00 0.00 O ATOM 702 CB VAL A 47 -0.493 -0.212 -1.309 1.00 0.00 C ATOM 703 CG1 VAL A 47 0.420 -1.026 -0.399 1.00 0.00 C ATOM 704 CG2 VAL A 47 -1.779 0.162 -0.587 1.00 0.00 C ATOM 0 H VAL A 47 -0.434 1.154 -3.796 1.00 0.00 H new ATOM 0 HA VAL A 47 0.255 1.794 -1.011 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.757 -0.824 -2.172 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.109 -1.914 -0.053 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.311 -1.326 -0.951 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.712 -0.421 0.459 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.280 -0.743 -0.244 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.545 0.794 0.269 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.435 0.703 -1.269 1.00 0.00 H new ATOM 714 N SER A 48 2.633 1.318 -1.555 1.00 0.00 N ATOM 715 CA SER A 48 4.035 1.015 -1.800 1.00 0.00 C ATOM 716 C SER A 48 4.517 -0.035 -0.808 1.00 0.00 C ATOM 717 O SER A 48 4.617 0.229 0.390 1.00 0.00 O ATOM 718 CB SER A 48 4.903 2.273 -1.695 1.00 0.00 C ATOM 719 OG SER A 48 5.161 2.823 -2.974 1.00 0.00 O ATOM 0 H SER A 48 2.473 2.064 -0.878 1.00 0.00 H new ATOM 0 HA SER A 48 4.127 0.627 -2.814 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.402 3.013 -1.072 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.845 2.029 -1.204 1.00 0.00 H new ATOM 0 HG SER A 48 5.081 2.122 -3.654 1.00 0.00 H new ATOM 725 N VAL A 49 4.801 -1.229 -1.310 1.00 0.00 N ATOM 726 CA VAL A 49 5.265 -2.321 -0.468 1.00 0.00 C ATOM 727 C VAL A 49 6.648 -2.782 -0.909 1.00 0.00 C ATOM 728 O VAL A 49 6.875 -3.028 -2.094 1.00 0.00 O ATOM 729 CB VAL A 49 4.293 -3.514 -0.518 1.00 0.00 C ATOM 730 CG1 VAL A 49 2.986 -3.167 0.179 1.00 0.00 C ATOM 731 CG2 VAL A 49 4.041 -3.937 -1.958 1.00 0.00 C ATOM 0 H VAL A 49 4.718 -1.465 -2.299 1.00 0.00 H new ATOM 0 HA VAL A 49 5.313 -1.949 0.556 1.00 0.00 H new ATOM 0 HB VAL A 49 4.748 -4.353 0.009 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.311 -4.022 0.134 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.185 -2.916 1.221 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.524 -2.314 -0.318 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.352 -4.781 -1.974 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.607 -3.104 -2.511 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.983 -4.229 -2.422 1.00 0.00 H new ATOM 741 N PHE A 50 7.578 -2.890 0.037 1.00 0.00 N ATOM 742 CA PHE A 50 8.932 -3.315 -0.304 1.00 0.00 C ATOM 743 C PHE A 50 9.543 -4.225 0.757 1.00 0.00 C ATOM 744 O PHE A 50 9.301 -4.071 1.964 1.00 0.00 O ATOM 745 CB PHE A 50 9.821 -2.095 -0.569 1.00 0.00 C ATOM 746 CG PHE A 50 10.870 -1.830 0.467 1.00 0.00 C ATOM 747 CD1 PHE A 50 10.550 -1.790 1.809 1.00 0.00 C ATOM 748 CD2 PHE A 50 12.181 -1.596 0.084 1.00 0.00 C ATOM 749 CE1 PHE A 50 11.519 -1.521 2.757 1.00 0.00 C ATOM 750 CE2 PHE A 50 13.154 -1.331 1.024 1.00 0.00 C ATOM 751 CZ PHE A 50 12.824 -1.292 2.362 1.00 0.00 C ATOM 0 H PHE A 50 7.424 -2.694 1.026 1.00 0.00 H new ATOM 0 HA PHE A 50 8.868 -3.907 -1.217 1.00 0.00 H new ATOM 0 HB2 PHE A 50 10.311 -2.226 -1.534 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.185 -1.214 -0.652 1.00 0.00 H new ATOM 0 HD1 PHE A 50 9.532 -1.971 2.121 1.00 0.00 H new ATOM 0 HD2 PHE A 50 12.444 -1.622 -0.963 1.00 0.00 H new ATOM 0 HE1 PHE A 50 11.257 -1.490 3.804 1.00 0.00 H new ATOM 0 HE2 PHE A 50 14.173 -1.154 0.713 1.00 0.00 H new ATOM 0 HZ PHE A 50 13.584 -1.083 3.101 1.00 0.00 H new ATOM 761 N THR A 51 10.329 -5.190 0.276 1.00 0.00 N ATOM 762 CA THR A 51 10.985 -6.164 1.142 1.00 0.00 C ATOM 763 C THR A 51 12.400 -6.462 0.674 1.00 0.00 C ATOM 764 O THR A 51 12.598 -7.250 -0.250 1.00 0.00 O ATOM 765 CB THR A 51 10.201 -7.472 1.122 1.00 0.00 C ATOM 766 OG1 THR A 51 9.091 -7.424 1.998 1.00 0.00 O ATOM 767 CG2 THR A 51 11.043 -8.670 1.497 1.00 0.00 C ATOM 0 H THR A 51 10.526 -5.316 -0.717 1.00 0.00 H new ATOM 0 HA THR A 51 11.021 -5.740 2.146 1.00 0.00 H new ATOM 0 HB THR A 51 9.866 -7.588 0.091 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.265 -7.991 2.778 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.430 -9.570 1.465 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.869 -8.769 0.793 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.438 -8.536 2.504 1.00 0.00 H new ATOM 775 N LYS A 52 13.388 -5.868 1.329 1.00 0.00 N ATOM 776 CA LYS A 52 14.765 -6.129 0.975 1.00 0.00 C ATOM 777 C LYS A 52 14.917 -7.563 0.461 1.00 0.00 C ATOM 778 O LYS A 52 14.862 -8.528 1.223 1.00 0.00 O ATOM 779 CB LYS A 52 15.677 -5.906 2.183 1.00 0.00 C ATOM 780 CG LYS A 52 15.742 -7.096 3.126 1.00 0.00 C ATOM 781 CD LYS A 52 16.928 -7.992 2.811 1.00 0.00 C ATOM 782 CE LYS A 52 17.442 -8.694 4.058 1.00 0.00 C ATOM 783 NZ LYS A 52 16.371 -9.469 4.741 1.00 0.00 N ATOM 0 H LYS A 52 13.259 -5.211 2.098 1.00 0.00 H new ATOM 0 HA LYS A 52 15.056 -5.438 0.184 1.00 0.00 H new ATOM 0 HB2 LYS A 52 16.683 -5.677 1.831 1.00 0.00 H new ATOM 0 HB3 LYS A 52 15.327 -5.034 2.736 1.00 0.00 H new ATOM 0 HG2 LYS A 52 15.815 -6.743 4.155 1.00 0.00 H new ATOM 0 HG3 LYS A 52 14.820 -7.672 3.051 1.00 0.00 H new ATOM 0 HD2 LYS A 52 16.637 -8.734 2.068 1.00 0.00 H new ATOM 0 HD3 LYS A 52 17.728 -7.397 2.371 1.00 0.00 H new ATOM 0 HE2 LYS A 52 18.258 -9.364 3.787 1.00 0.00 H new ATOM 0 HE3 LYS A 52 17.851 -7.956 4.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 16.790 -10.052 5.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 15.679 -8.813 5.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 15.894 -10.084 4.051 1.00 0.00 H new ATOM 797 N ALA A 53 15.125 -7.668 -0.849 1.00 0.00 N ATOM 798 CA ALA A 53 15.307 -8.956 -1.499 1.00 0.00 C ATOM 799 C ALA A 53 15.556 -8.808 -2.995 1.00 0.00 C ATOM 800 O ALA A 53 14.618 -8.807 -3.793 1.00 0.00 O ATOM 801 CB ALA A 53 14.095 -9.840 -1.249 1.00 0.00 C ATOM 0 H ALA A 53 15.171 -6.869 -1.482 1.00 0.00 H new ATOM 0 HA ALA A 53 16.192 -9.424 -1.067 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.240 -10.803 -1.739 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.972 -9.994 -0.177 1.00 0.00 H new ATOM 0 HB3 ALA A 53 13.204 -9.358 -1.651 1.00 0.00 H new ATOM 807 N ILE A 54 16.825 -8.693 -3.371 1.00 0.00 N ATOM 808 CA ILE A 54 17.195 -8.555 -4.773 1.00 0.00 C ATOM 809 C ILE A 54 18.664 -8.899 -4.992 1.00 0.00 C ATOM 810 O ILE A 54 19.459 -8.900 -4.051 1.00 0.00 O ATOM 811 CB ILE A 54 16.936 -7.128 -5.287 1.00 0.00 C ATOM 812 CG1 ILE A 54 15.436 -6.833 -5.305 1.00 0.00 C ATOM 813 CG2 ILE A 54 17.534 -6.949 -6.674 1.00 0.00 C ATOM 814 CD1 ILE A 54 14.922 -6.249 -4.008 1.00 0.00 C ATOM 0 H ILE A 54 17.614 -8.693 -2.724 1.00 0.00 H new ATOM 0 HA ILE A 54 16.572 -9.254 -5.331 1.00 0.00 H new ATOM 0 HB ILE A 54 17.417 -6.421 -4.611 1.00 0.00 H new ATOM 0 HG12 ILE A 54 15.220 -6.140 -6.118 1.00 0.00 H new ATOM 0 HG13 ILE A 54 14.895 -7.755 -5.519 1.00 0.00 H new ATOM 0 HG21 ILE A 54 17.343 -5.935 -7.025 1.00 0.00 H new ATOM 0 HG22 ILE A 54 18.609 -7.122 -6.632 1.00 0.00 H new ATOM 0 HG23 ILE A 54 17.079 -7.662 -7.361 1.00 0.00 H new ATOM 0 HD11 ILE A 54 13.851 -6.064 -4.091 1.00 0.00 H new ATOM 0 HD12 ILE A 54 15.107 -6.950 -3.194 1.00 0.00 H new ATOM 0 HD13 ILE A 54 15.437 -5.311 -3.802 1.00 0.00 H new ATOM 826 N ILE A 55 19.018 -9.192 -6.238 1.00 0.00 N ATOM 827 CA ILE A 55 20.390 -9.536 -6.582 1.00 0.00 C ATOM 828 C ILE A 55 21.172 -8.304 -7.023 1.00 0.00 C ATOM 829 O ILE A 55 22.279 -8.055 -6.546 1.00 0.00 O ATOM 830 CB ILE A 55 20.442 -10.592 -7.703 1.00 0.00 C ATOM 831 CG1 ILE A 55 19.601 -10.139 -8.898 1.00 0.00 C ATOM 832 CG2 ILE A 55 19.955 -11.938 -7.186 1.00 0.00 C ATOM 833 CD1 ILE A 55 18.779 -11.250 -9.515 1.00 0.00 C ATOM 0 H ILE A 55 18.372 -9.198 -7.027 1.00 0.00 H new ATOM 0 HA ILE A 55 20.846 -9.950 -5.683 1.00 0.00 H new ATOM 0 HB ILE A 55 21.476 -10.703 -8.030 1.00 0.00 H new ATOM 0 HG12 ILE A 55 18.934 -9.338 -8.579 1.00 0.00 H new ATOM 0 HG13 ILE A 55 20.261 -9.721 -9.658 1.00 0.00 H new ATOM 0 HG21 ILE A 55 19.998 -12.673 -7.989 1.00 0.00 H new ATOM 0 HG22 ILE A 55 20.591 -12.263 -6.362 1.00 0.00 H new ATOM 0 HG23 ILE A 55 18.927 -11.843 -6.835 1.00 0.00 H new ATOM 0 HD11 ILE A 55 18.208 -10.856 -10.356 1.00 0.00 H new ATOM 0 HD12 ILE A 55 19.442 -12.042 -9.865 1.00 0.00 H new ATOM 0 HD13 ILE A 55 18.094 -11.653 -8.769 1.00 0.00 H new ATOM 845 N SER A 56 20.590 -7.536 -7.940 1.00 0.00 N ATOM 846 CA SER A 56 21.237 -6.331 -8.446 1.00 0.00 C ATOM 847 C SER A 56 20.251 -5.170 -8.534 1.00 0.00 C ATOM 848 O SER A 56 20.281 -4.391 -9.487 1.00 0.00 O ATOM 849 CB SER A 56 21.851 -6.597 -9.821 1.00 0.00 C ATOM 850 OG SER A 56 22.617 -5.489 -10.262 1.00 0.00 O ATOM 0 H SER A 56 19.674 -7.727 -8.346 1.00 0.00 H new ATOM 0 HA SER A 56 22.027 -6.057 -7.746 1.00 0.00 H new ATOM 0 HB2 SER A 56 22.483 -7.484 -9.775 1.00 0.00 H new ATOM 0 HB3 SER A 56 21.060 -6.806 -10.541 1.00 0.00 H new ATOM 0 HG SER A 56 22.056 -4.685 -10.268 1.00 0.00 H new ATOM 856 N GLU A 57 19.380 -5.054 -7.536 1.00 0.00 N ATOM 857 CA GLU A 57 18.392 -3.980 -7.510 1.00 0.00 C ATOM 858 C GLU A 57 17.662 -3.937 -6.176 1.00 0.00 C ATOM 859 O GLU A 57 16.522 -3.478 -6.094 1.00 0.00 O ATOM 860 CB GLU A 57 17.388 -4.156 -8.643 1.00 0.00 C ATOM 861 CG GLU A 57 17.279 -5.589 -9.108 1.00 0.00 C ATOM 862 CD GLU A 57 16.769 -5.710 -10.530 1.00 0.00 C ATOM 863 OE1 GLU A 57 17.596 -5.648 -11.465 1.00 0.00 O ATOM 864 OE2 GLU A 57 15.543 -5.868 -10.711 1.00 0.00 O ATOM 0 H GLU A 57 19.338 -5.687 -6.738 1.00 0.00 H new ATOM 0 HA GLU A 57 18.921 -3.036 -7.643 1.00 0.00 H new ATOM 0 HB2 GLU A 57 16.409 -3.810 -8.312 1.00 0.00 H new ATOM 0 HB3 GLU A 57 17.681 -3.527 -9.484 1.00 0.00 H new ATOM 0 HG2 GLU A 57 18.257 -6.064 -9.036 1.00 0.00 H new ATOM 0 HG3 GLU A 57 16.611 -6.133 -8.440 1.00 0.00 H new ATOM 871 N ASN A 58 18.324 -4.417 -5.133 1.00 0.00 N ATOM 872 CA ASN A 58 17.735 -4.432 -3.801 1.00 0.00 C ATOM 873 C ASN A 58 17.873 -3.067 -3.138 1.00 0.00 C ATOM 874 O ASN A 58 18.761 -2.288 -3.485 1.00 0.00 O ATOM 875 CB ASN A 58 18.401 -5.504 -2.936 1.00 0.00 C ATOM 876 CG ASN A 58 18.911 -4.949 -1.620 1.00 0.00 C ATOM 877 OD1 ASN A 58 18.140 -4.725 -0.686 1.00 0.00 O ATOM 878 ND2 ASN A 58 20.217 -4.724 -1.539 1.00 0.00 N ATOM 0 H ASN A 58 19.268 -4.801 -5.183 1.00 0.00 H new ATOM 0 HA ASN A 58 16.675 -4.666 -3.899 1.00 0.00 H new ATOM 0 HB2 ASN A 58 17.687 -6.303 -2.738 1.00 0.00 H new ATOM 0 HB3 ASN A 58 19.231 -5.948 -3.486 1.00 0.00 H new ATOM 0 HD21 ASN A 58 20.618 -4.351 -0.678 1.00 0.00 H new ATOM 0 HD22 ASN A 58 20.819 -4.924 -2.337 1.00 0.00 H new ATOM 885 N PRO A 59 16.993 -2.750 -2.172 1.00 0.00 N ATOM 886 CA PRO A 59 15.918 -3.646 -1.726 1.00 0.00 C ATOM 887 C PRO A 59 14.850 -3.858 -2.796 1.00 0.00 C ATOM 888 O PRO A 59 15.105 -3.679 -3.986 1.00 0.00 O ATOM 889 CB PRO A 59 15.317 -2.923 -0.511 1.00 0.00 C ATOM 890 CG PRO A 59 16.303 -1.861 -0.153 1.00 0.00 C ATOM 891 CD PRO A 59 16.984 -1.486 -1.434 1.00 0.00 C ATOM 0 HA PRO A 59 16.298 -4.642 -1.500 1.00 0.00 H new ATOM 0 HB2 PRO A 59 14.345 -2.492 -0.752 1.00 0.00 H new ATOM 0 HB3 PRO A 59 15.163 -3.612 0.319 1.00 0.00 H new ATOM 0 HG2 PRO A 59 15.805 -0.999 0.292 1.00 0.00 H new ATOM 0 HG3 PRO A 59 17.022 -2.227 0.580 1.00 0.00 H new ATOM 0 HD2 PRO A 59 16.440 -0.708 -1.969 1.00 0.00 H new ATOM 0 HD3 PRO A 59 17.992 -1.110 -1.262 1.00 0.00 H new ATOM 899 N CYS A 60 13.653 -4.252 -2.363 1.00 0.00 N ATOM 900 CA CYS A 60 12.550 -4.503 -3.287 1.00 0.00 C ATOM 901 C CYS A 60 11.279 -3.763 -2.880 1.00 0.00 C ATOM 902 O CYS A 60 10.670 -4.082 -1.859 1.00 0.00 O ATOM 903 CB CYS A 60 12.256 -6.005 -3.353 1.00 0.00 C ATOM 904 SG CYS A 60 12.403 -6.717 -5.008 1.00 0.00 S ATOM 0 H CYS A 60 13.424 -4.404 -1.381 1.00 0.00 H new ATOM 0 HA CYS A 60 12.858 -4.133 -4.265 1.00 0.00 H new ATOM 0 HB2 CYS A 60 12.939 -6.527 -2.683 1.00 0.00 H new ATOM 0 HB3 CYS A 60 11.247 -6.183 -2.981 1.00 0.00 H new ATOM 0 HG CYS A 60 12.138 -7.989 -4.958 1.00 0.00 H new ATOM 910 N ILE A 61 10.861 -2.799 -3.700 1.00 0.00 N ATOM 911 CA ILE A 61 9.635 -2.053 -3.432 1.00 0.00 C ATOM 912 C ILE A 61 8.608 -2.311 -4.516 1.00 0.00 C ATOM 913 O ILE A 61 8.950 -2.576 -5.668 1.00 0.00 O ATOM 914 CB ILE A 61 9.859 -0.530 -3.315 1.00 0.00 C ATOM 915 CG1 ILE A 61 11.084 -0.222 -2.456 1.00 0.00 C ATOM 916 CG2 ILE A 61 8.619 0.135 -2.727 1.00 0.00 C ATOM 917 CD1 ILE A 61 12.357 -0.836 -2.980 1.00 0.00 C ATOM 0 H ILE A 61 11.351 -2.519 -4.550 1.00 0.00 H new ATOM 0 HA ILE A 61 9.275 -2.411 -2.467 1.00 0.00 H new ATOM 0 HB ILE A 61 10.038 -0.131 -4.313 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.211 0.859 -2.393 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.907 -0.582 -1.443 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.785 1.209 -2.648 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.763 -0.053 -3.375 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.421 -0.275 -1.737 1.00 0.00 H new ATOM 0 HD11 ILE A 61 13.185 -0.576 -2.320 1.00 0.00 H new ATOM 0 HD12 ILE A 61 12.250 -1.920 -3.017 1.00 0.00 H new ATOM 0 HD13 ILE A 61 12.558 -0.457 -3.982 1.00 0.00 H new ATOM 929 N LYS A 62 7.345 -2.233 -4.136 1.00 0.00 N ATOM 930 CA LYS A 62 6.251 -2.459 -5.066 1.00 0.00 C ATOM 931 C LYS A 62 5.120 -1.480 -4.811 1.00 0.00 C ATOM 932 O LYS A 62 4.903 -1.050 -3.679 1.00 0.00 O ATOM 933 CB LYS A 62 5.727 -3.887 -4.934 1.00 0.00 C ATOM 934 CG LYS A 62 5.055 -4.408 -6.195 1.00 0.00 C ATOM 935 CD LYS A 62 5.272 -5.902 -6.365 1.00 0.00 C ATOM 936 CE LYS A 62 4.670 -6.408 -7.666 1.00 0.00 C ATOM 937 NZ LYS A 62 3.255 -5.977 -7.827 1.00 0.00 N ATOM 0 H LYS A 62 7.050 -2.014 -3.185 1.00 0.00 H new ATOM 0 HA LYS A 62 6.630 -2.307 -6.076 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.555 -4.546 -4.675 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.016 -3.929 -4.109 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.986 -4.197 -6.153 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.450 -3.881 -7.063 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.340 -6.120 -6.348 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.825 -6.434 -5.525 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.259 -6.040 -8.506 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.723 -7.496 -7.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.754 -6.652 -8.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.794 -5.946 -6.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.227 -5.031 -8.259 1.00 0.00 H new ATOM 951 N HIS A 63 4.394 -1.134 -5.864 1.00 0.00 N ATOM 952 CA HIS A 63 3.288 -0.213 -5.735 1.00 0.00 C ATOM 953 C HIS A 63 1.966 -0.908 -6.021 1.00 0.00 C ATOM 954 O HIS A 63 1.654 -1.234 -7.167 1.00 0.00 O ATOM 955 CB HIS A 63 3.480 0.957 -6.693 1.00 0.00 C ATOM 956 CG HIS A 63 4.820 1.613 -6.565 1.00 0.00 C ATOM 957 ND1 HIS A 63 5.265 2.228 -5.418 1.00 0.00 N ATOM 958 CD2 HIS A 63 5.823 1.734 -7.470 1.00 0.00 C ATOM 959 CE1 HIS A 63 6.499 2.693 -5.653 1.00 0.00 C ATOM 960 NE2 HIS A 63 6.884 2.419 -6.885 1.00 0.00 N ATOM 0 H HIS A 63 4.554 -1.478 -6.811 1.00 0.00 H new ATOM 0 HA HIS A 63 3.263 0.157 -4.710 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.352 0.604 -7.716 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.701 1.698 -6.511 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.802 1.359 -8.483 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.100 3.223 -4.929 1.00 0.00 H new ATOM 0 HE2 HIS A 63 7.775 2.660 -7.319 1.00 0.00 H new ATOM 968 N TYR A 64 1.189 -1.118 -4.969 1.00 0.00 N ATOM 969 CA TYR A 64 -0.109 -1.759 -5.089 1.00 0.00 C ATOM 970 C TYR A 64 -1.220 -0.737 -4.946 1.00 0.00 C ATOM 971 O TYR A 64 -1.333 -0.075 -3.913 1.00 0.00 O ATOM 972 CB TYR A 64 -0.265 -2.837 -4.025 1.00 0.00 C ATOM 973 CG TYR A 64 0.620 -4.018 -4.283 1.00 0.00 C ATOM 974 CD1 TYR A 64 1.996 -3.893 -4.200 1.00 0.00 C ATOM 975 CD2 TYR A 64 0.089 -5.249 -4.631 1.00 0.00 C ATOM 976 CE1 TYR A 64 2.820 -4.961 -4.454 1.00 0.00 C ATOM 977 CE2 TYR A 64 0.909 -6.329 -4.885 1.00 0.00 C ATOM 978 CZ TYR A 64 2.275 -6.181 -4.796 1.00 0.00 C ATOM 979 OH TYR A 64 3.099 -7.253 -5.050 1.00 0.00 O ATOM 0 H TYR A 64 1.439 -0.851 -4.017 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.175 -2.218 -6.076 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -0.031 -2.416 -3.047 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.304 -3.164 -3.991 1.00 0.00 H new ATOM 0 HD1 TYR A 64 2.428 -2.940 -3.931 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -0.982 -5.365 -4.705 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.892 -4.846 -4.386 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.482 -7.284 -5.152 1.00 0.00 H new ATOM 0 HH TYR A 64 2.844 -7.668 -5.900 1.00 0.00 H new ATOM 989 N HIS A 65 -2.047 -0.608 -5.973 1.00 0.00 N ATOM 990 CA HIS A 65 -3.145 0.336 -5.916 1.00 0.00 C ATOM 991 C HIS A 65 -4.363 -0.313 -5.302 1.00 0.00 C ATOM 992 O HIS A 65 -4.625 -1.497 -5.513 1.00 0.00 O ATOM 993 CB HIS A 65 -3.499 0.892 -7.289 1.00 0.00 C ATOM 994 CG HIS A 65 -3.762 2.353 -7.252 1.00 0.00 C ATOM 995 ND1 HIS A 65 -3.727 3.094 -6.103 1.00 0.00 N ATOM 996 CD2 HIS A 65 -4.077 3.208 -8.245 1.00 0.00 C ATOM 997 CE1 HIS A 65 -4.018 4.356 -6.423 1.00 0.00 C ATOM 998 NE2 HIS A 65 -4.239 4.483 -7.715 1.00 0.00 N ATOM 0 H HIS A 65 -1.978 -1.138 -6.842 1.00 0.00 H new ATOM 0 HA HIS A 65 -2.818 1.169 -5.294 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.683 0.689 -7.983 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.379 0.376 -7.672 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -3.516 2.744 -5.168 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.186 2.945 -9.287 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -4.066 5.169 -5.714 1.00 0.00 H new ATOM 1006 N ILE A 66 -5.110 0.468 -4.547 1.00 0.00 N ATOM 1007 CA ILE A 66 -6.309 -0.045 -3.912 1.00 0.00 C ATOM 1008 C ILE A 66 -7.507 0.178 -4.816 1.00 0.00 C ATOM 1009 O ILE A 66 -8.006 1.292 -4.930 1.00 0.00 O ATOM 1010 CB ILE A 66 -6.567 0.634 -2.550 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -5.321 1.385 -2.084 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -6.989 -0.392 -1.512 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -4.238 0.487 -1.533 1.00 0.00 C ATOM 0 H ILE A 66 -4.911 1.451 -4.359 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.161 -1.111 -3.741 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.378 1.352 -2.672 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.917 1.954 -2.921 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.608 2.105 -1.318 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.166 0.106 -0.559 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -7.904 -0.885 -1.839 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.200 -1.134 -1.392 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.386 1.092 -1.223 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.623 -0.063 -0.675 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.922 -0.217 -2.303 1.00 0.00 H new ATOM 1025 N LYS A 67 -7.971 -0.888 -5.447 1.00 0.00 N ATOM 1026 CA LYS A 67 -9.116 -0.802 -6.333 1.00 0.00 C ATOM 1027 C LYS A 67 -10.365 -0.480 -5.532 1.00 0.00 C ATOM 1028 O LYS A 67 -10.463 -0.847 -4.361 1.00 0.00 O ATOM 1029 CB LYS A 67 -9.298 -2.111 -7.100 1.00 0.00 C ATOM 1030 CG LYS A 67 -10.330 -2.025 -8.215 1.00 0.00 C ATOM 1031 CD LYS A 67 -9.746 -1.393 -9.468 1.00 0.00 C ATOM 1032 CE LYS A 67 -8.594 -0.457 -9.137 1.00 0.00 C ATOM 1033 NZ LYS A 67 -7.767 -0.150 -10.336 1.00 0.00 N ATOM 0 H LYS A 67 -7.571 -1.822 -5.361 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.943 -0.004 -7.055 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.340 -2.409 -7.525 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.594 -2.894 -6.402 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.699 -3.024 -8.448 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.185 -1.440 -7.876 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.398 -2.175 -10.143 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.524 -0.841 -9.995 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.988 0.470 -8.720 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.967 -0.910 -8.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.993 0.491 -10.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.370 -1.032 -10.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.360 0.306 -11.059 1.00 0.00 H new ATOM 1047 N GLU A 68 -11.311 0.208 -6.169 1.00 0.00 N ATOM 1048 CA GLU A 68 -12.558 0.593 -5.519 1.00 0.00 C ATOM 1049 C GLU A 68 -13.743 -0.103 -6.179 1.00 0.00 C ATOM 1050 O GLU A 68 -13.827 -0.180 -7.405 1.00 0.00 O ATOM 1051 CB GLU A 68 -12.735 2.115 -5.600 1.00 0.00 C ATOM 1052 CG GLU A 68 -11.901 2.880 -4.587 1.00 0.00 C ATOM 1053 CD GLU A 68 -12.639 4.072 -4.008 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -13.758 4.363 -4.480 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -12.098 4.713 -3.084 1.00 0.00 O ATOM 0 H GLU A 68 -11.235 0.511 -7.140 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.516 0.288 -4.473 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.470 2.450 -6.603 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.787 2.358 -5.450 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.611 2.209 -3.779 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.982 3.222 -5.062 1.00 0.00 H new ATOM 1062 N THR A 69 -14.657 -0.611 -5.357 1.00 0.00 N ATOM 1063 CA THR A 69 -15.835 -1.301 -5.858 1.00 0.00 C ATOM 1064 C THR A 69 -17.062 -0.905 -5.047 1.00 0.00 C ATOM 1065 O THR A 69 -17.373 -1.525 -4.032 1.00 0.00 O ATOM 1066 CB THR A 69 -15.633 -2.816 -5.791 1.00 0.00 C ATOM 1067 OG1 THR A 69 -16.685 -3.432 -5.070 1.00 0.00 O ATOM 1068 CG2 THR A 69 -14.330 -3.218 -5.135 1.00 0.00 C ATOM 0 H THR A 69 -14.602 -0.556 -4.340 1.00 0.00 H new ATOM 0 HA THR A 69 -15.989 -1.012 -6.898 1.00 0.00 H new ATOM 0 HB THR A 69 -15.617 -3.150 -6.828 1.00 0.00 H new ATOM 0 HG1 THR A 69 -16.773 -3.006 -4.192 1.00 0.00 H new ATOM 0 HG21 THR A 69 -14.250 -4.305 -5.120 1.00 0.00 H new ATOM 0 HG22 THR A 69 -13.495 -2.801 -5.698 1.00 0.00 H new ATOM 0 HG23 THR A 69 -14.305 -2.838 -4.114 1.00 0.00 H new ATOM 1076 N ASN A 70 -17.750 0.138 -5.499 1.00 0.00 N ATOM 1077 CA ASN A 70 -18.939 0.631 -4.814 1.00 0.00 C ATOM 1078 C ASN A 70 -19.719 -0.509 -4.167 1.00 0.00 C ATOM 1079 O ASN A 70 -20.755 -0.931 -4.680 1.00 0.00 O ATOM 1080 CB ASN A 70 -19.838 1.387 -5.792 1.00 0.00 C ATOM 1081 CG ASN A 70 -19.603 0.973 -7.231 1.00 0.00 C ATOM 1082 OD1 ASN A 70 -19.527 -0.332 -7.466 1.00 0.00 O flip ATOM 1083 ND2 ASN A 70 -19.492 1.815 -8.122 1.00 0.00 N flip ATOM 0 H ASN A 70 -17.503 0.660 -6.340 1.00 0.00 H new ATOM 0 HA ASN A 70 -18.613 1.310 -4.026 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -20.882 1.211 -5.532 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -19.660 2.458 -5.691 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -19.557 2.808 -7.897 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -19.335 1.520 -9.086 1.00 0.00 H new ATOM 1090 N ASP A 71 -19.222 -1.002 -3.035 1.00 0.00 N ATOM 1091 CA ASP A 71 -19.887 -2.085 -2.324 1.00 0.00 C ATOM 1092 C ASP A 71 -20.605 -1.554 -1.089 1.00 0.00 C ATOM 1093 O ASP A 71 -21.012 -0.393 -1.050 1.00 0.00 O ATOM 1094 CB ASP A 71 -18.882 -3.168 -1.933 1.00 0.00 C ATOM 1095 CG ASP A 71 -19.539 -4.517 -1.724 1.00 0.00 C ATOM 1096 OD1 ASP A 71 -20.717 -4.546 -1.308 1.00 0.00 O ATOM 1097 OD2 ASP A 71 -18.877 -5.546 -1.975 1.00 0.00 O ATOM 0 H ASP A 71 -18.365 -0.669 -2.594 1.00 0.00 H new ATOM 0 HA ASP A 71 -20.628 -2.527 -2.990 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -18.123 -3.253 -2.711 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -18.369 -2.871 -1.018 1.00 0.00 H new ATOM 1102 N SER A 72 -20.764 -2.406 -0.083 1.00 0.00 N ATOM 1103 CA SER A 72 -21.441 -2.008 1.143 1.00 0.00 C ATOM 1104 C SER A 72 -20.757 -2.591 2.377 1.00 0.00 C ATOM 1105 O SER A 72 -21.308 -3.461 3.052 1.00 0.00 O ATOM 1106 CB SER A 72 -22.905 -2.450 1.106 1.00 0.00 C ATOM 1107 OG SER A 72 -23.034 -3.820 1.445 1.00 0.00 O ATOM 0 H SER A 72 -20.435 -3.371 -0.092 1.00 0.00 H new ATOM 0 HA SER A 72 -21.390 -0.921 1.210 1.00 0.00 H new ATOM 0 HB2 SER A 72 -23.488 -1.844 1.799 1.00 0.00 H new ATOM 0 HB3 SER A 72 -23.315 -2.279 0.111 1.00 0.00 H new ATOM 0 HG SER A 72 -22.728 -3.959 2.366 1.00 0.00 H new ATOM 1113 N PRO A 73 -19.541 -2.115 2.689 1.00 0.00 N ATOM 1114 CA PRO A 73 -18.855 -1.090 1.919 1.00 0.00 C ATOM 1115 C PRO A 73 -17.888 -1.684 0.899 1.00 0.00 C ATOM 1116 O PRO A 73 -17.820 -1.237 -0.245 1.00 0.00 O ATOM 1117 CB PRO A 73 -18.087 -0.351 3.009 1.00 0.00 C ATOM 1118 CG PRO A 73 -17.732 -1.411 4.009 1.00 0.00 C ATOM 1119 CD PRO A 73 -18.725 -2.542 3.836 1.00 0.00 C ATOM 0 HA PRO A 73 -19.533 -0.470 1.333 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -17.195 0.130 2.608 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -18.696 0.432 3.461 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -16.714 -1.765 3.849 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -17.775 -1.013 5.023 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -18.223 -3.489 3.640 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -19.333 -2.682 4.730 1.00 0.00 H new ATOM 1127 N LYS A 74 -17.143 -2.697 1.333 1.00 0.00 N ATOM 1128 CA LYS A 74 -16.172 -3.372 0.478 1.00 0.00 C ATOM 1129 C LYS A 74 -16.014 -2.662 -0.858 1.00 0.00 C ATOM 1130 O LYS A 74 -16.537 -3.106 -1.877 1.00 0.00 O ATOM 1131 CB LYS A 74 -16.586 -4.829 0.263 1.00 0.00 C ATOM 1132 CG LYS A 74 -17.307 -5.437 1.455 1.00 0.00 C ATOM 1133 CD LYS A 74 -18.814 -5.385 1.278 1.00 0.00 C ATOM 1134 CE LYS A 74 -19.297 -6.503 0.372 1.00 0.00 C ATOM 1135 NZ LYS A 74 -19.938 -7.606 1.140 1.00 0.00 N ATOM 0 H LYS A 74 -17.195 -3.071 2.281 1.00 0.00 H new ATOM 0 HA LYS A 74 -15.205 -3.345 0.981 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -17.233 -4.889 -0.612 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -15.698 -5.422 0.044 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -16.990 -6.472 1.584 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -17.027 -4.902 2.363 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -19.300 -5.465 2.250 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -19.101 -4.422 0.856 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -20.009 -6.103 -0.350 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -18.455 -6.898 -0.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -20.253 -8.348 0.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -19.252 -8.006 1.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -20.757 -7.235 1.662 1.00 0.00 H new ATOM 1149 N ARG A 75 -15.284 -1.556 -0.840 1.00 0.00 N ATOM 1150 CA ARG A 75 -15.051 -0.776 -2.043 1.00 0.00 C ATOM 1151 C ARG A 75 -13.633 -0.948 -2.568 1.00 0.00 C ATOM 1152 O ARG A 75 -13.425 -1.204 -3.752 1.00 0.00 O ATOM 1153 CB ARG A 75 -15.291 0.701 -1.762 1.00 0.00 C ATOM 1154 CG ARG A 75 -16.723 1.134 -1.999 1.00 0.00 C ATOM 1155 CD ARG A 75 -16.972 2.545 -1.494 1.00 0.00 C ATOM 1156 NE ARG A 75 -16.475 3.556 -2.424 1.00 0.00 N ATOM 1157 CZ ARG A 75 -17.119 4.685 -2.697 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -18.279 4.949 -2.112 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -16.602 5.555 -3.555 1.00 0.00 N ATOM 0 H ARG A 75 -14.842 -1.179 -0.001 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.747 -1.139 -2.800 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -15.021 0.915 -0.728 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -14.630 1.295 -2.393 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -16.947 1.084 -3.064 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -17.400 0.443 -1.498 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -18.041 2.691 -1.338 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -16.488 2.674 -0.526 1.00 0.00 H new ATOM 0 HE ARG A 75 -15.584 3.385 -2.890 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -18.679 4.284 -1.450 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -18.771 5.817 -2.324 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -15.709 5.357 -4.006 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -17.098 6.422 -3.764 1.00 0.00 H new ATOM 1173 N TYR A 76 -12.655 -0.753 -1.694 1.00 0.00 N ATOM 1174 CA TYR A 76 -11.262 -0.827 -2.099 1.00 0.00 C ATOM 1175 C TYR A 76 -10.664 -2.212 -1.938 1.00 0.00 C ATOM 1176 O TYR A 76 -11.038 -2.971 -1.048 1.00 0.00 O ATOM 1177 CB TYR A 76 -10.446 0.200 -1.327 1.00 0.00 C ATOM 1178 CG TYR A 76 -11.175 1.506 -1.167 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -12.361 1.732 -1.845 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -10.685 2.505 -0.345 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -13.044 2.916 -1.712 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -11.361 3.701 -0.201 1.00 0.00 C ATOM 1183 CZ TYR A 76 -12.543 3.902 -0.887 1.00 0.00 C ATOM 1184 OH TYR A 76 -13.222 5.091 -0.748 1.00 0.00 O ATOM 0 H TYR A 76 -12.801 -0.544 -0.706 1.00 0.00 H new ATOM 0 HA TYR A 76 -11.228 -0.603 -3.165 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.201 -0.200 -0.343 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.503 0.374 -1.844 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -12.757 0.962 -2.491 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.761 2.348 0.192 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -13.967 3.074 -2.250 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -10.968 4.474 0.443 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.080 5.644 -1.545 1.00 0.00 H new ATOM 1194 N TYR A 77 -9.719 -2.513 -2.823 1.00 0.00 N ATOM 1195 CA TYR A 77 -9.024 -3.801 -2.828 1.00 0.00 C ATOM 1196 C TYR A 77 -7.830 -3.757 -3.777 1.00 0.00 C ATOM 1197 O TYR A 77 -7.631 -2.775 -4.481 1.00 0.00 O ATOM 1198 CB TYR A 77 -9.980 -4.916 -3.251 1.00 0.00 C ATOM 1199 CG TYR A 77 -10.269 -4.928 -4.733 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -11.129 -3.994 -5.298 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -9.680 -5.870 -5.565 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -11.399 -3.999 -6.652 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -9.944 -5.881 -6.925 1.00 0.00 C ATOM 1204 CZ TYR A 77 -10.803 -4.944 -7.462 1.00 0.00 C ATOM 1205 OH TYR A 77 -11.066 -4.952 -8.812 1.00 0.00 O ATOM 0 H TYR A 77 -9.412 -1.874 -3.557 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.666 -4.003 -1.819 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.555 -5.878 -2.963 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.918 -4.807 -2.706 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -11.594 -3.251 -4.667 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.007 -6.604 -5.147 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -12.072 -3.268 -7.075 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.480 -6.619 -7.562 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.286 -5.296 -9.295 1.00 0.00 H new ATOM 1215 N VAL A 78 -7.034 -4.820 -3.798 1.00 0.00 N ATOM 1216 CA VAL A 78 -5.867 -4.870 -4.674 1.00 0.00 C ATOM 1217 C VAL A 78 -5.943 -6.045 -5.641 1.00 0.00 C ATOM 1218 O VAL A 78 -5.914 -5.867 -6.858 1.00 0.00 O ATOM 1219 CB VAL A 78 -4.557 -4.982 -3.870 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -4.132 -3.620 -3.343 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -4.711 -5.983 -2.734 1.00 0.00 C ATOM 0 H VAL A 78 -7.172 -5.652 -3.225 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.868 -3.936 -5.236 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.774 -5.344 -4.536 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.205 -3.721 -2.778 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.975 -2.939 -4.180 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.911 -3.222 -2.693 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.776 -6.049 -2.178 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.508 -5.656 -2.067 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.959 -6.962 -3.143 1.00 0.00 H new ATOM 1231 N ALA A 79 -6.027 -7.245 -5.086 1.00 0.00 N ATOM 1232 CA ALA A 79 -6.089 -8.461 -5.883 1.00 0.00 C ATOM 1233 C ALA A 79 -7.510 -8.999 -5.969 1.00 0.00 C ATOM 1234 O ALA A 79 -7.746 -10.169 -5.673 1.00 0.00 O ATOM 1235 CB ALA A 79 -5.181 -9.514 -5.270 1.00 0.00 C ATOM 0 H ALA A 79 -6.054 -7.403 -4.079 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.757 -8.223 -6.894 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.227 -10.425 -5.866 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.156 -9.144 -5.251 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.508 -9.729 -4.253 1.00 0.00 H new ATOM 1241 N GLU A 80 -8.464 -8.156 -6.353 1.00 0.00 N ATOM 1242 CA GLU A 80 -9.846 -8.609 -6.428 1.00 0.00 C ATOM 1243 C GLU A 80 -10.068 -9.619 -5.317 1.00 0.00 C ATOM 1244 O GLU A 80 -10.894 -10.526 -5.419 1.00 0.00 O ATOM 1245 CB GLU A 80 -10.138 -9.241 -7.791 1.00 0.00 C ATOM 1246 CG GLU A 80 -10.216 -8.231 -8.925 1.00 0.00 C ATOM 1247 CD GLU A 80 -10.489 -8.882 -10.266 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -11.658 -9.236 -10.529 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -9.534 -9.039 -11.056 1.00 0.00 O ATOM 0 H GLU A 80 -8.311 -7.181 -6.611 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.522 -7.762 -6.310 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.361 -9.971 -8.018 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.080 -9.786 -7.735 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -11.002 -7.508 -8.709 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.279 -7.677 -8.978 1.00 0.00 H new ATOM 1256 N LYS A 81 -9.281 -9.448 -4.260 1.00 0.00 N ATOM 1257 CA LYS A 81 -9.314 -10.321 -3.102 1.00 0.00 C ATOM 1258 C LYS A 81 -10.233 -9.776 -2.019 1.00 0.00 C ATOM 1259 O LYS A 81 -11.367 -10.224 -1.858 1.00 0.00 O ATOM 1260 CB LYS A 81 -7.907 -10.443 -2.525 1.00 0.00 C ATOM 1261 CG LYS A 81 -7.001 -11.411 -3.264 1.00 0.00 C ATOM 1262 CD LYS A 81 -5.608 -11.421 -2.653 1.00 0.00 C ATOM 1263 CE LYS A 81 -5.430 -12.588 -1.694 1.00 0.00 C ATOM 1264 NZ LYS A 81 -4.749 -12.175 -0.435 1.00 0.00 N ATOM 0 H LYS A 81 -8.599 -8.693 -4.187 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.690 -11.292 -3.424 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.441 -9.457 -2.527 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.982 -10.759 -1.484 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.426 -12.414 -3.228 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.940 -11.129 -4.315 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -4.862 -11.483 -3.445 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.435 -10.484 -2.124 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.405 -13.014 -1.456 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.849 -13.372 -2.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.920 -12.782 -0.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -4.443 -11.184 -0.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.408 -12.270 0.364 1.00 0.00 H new ATOM 1278 N TYR A 82 -9.708 -8.816 -1.266 1.00 0.00 N ATOM 1279 CA TYR A 82 -10.447 -8.204 -0.172 1.00 0.00 C ATOM 1280 C TYR A 82 -10.711 -6.729 -0.432 1.00 0.00 C ATOM 1281 O TYR A 82 -9.813 -5.897 -0.308 1.00 0.00 O ATOM 1282 CB TYR A 82 -9.664 -8.342 1.134 1.00 0.00 C ATOM 1283 CG TYR A 82 -8.797 -9.577 1.211 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -7.793 -9.810 0.281 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -8.983 -10.506 2.225 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -7.000 -10.934 0.360 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -8.193 -11.635 2.311 1.00 0.00 C ATOM 1288 CZ TYR A 82 -7.203 -11.845 1.376 1.00 0.00 C ATOM 1289 OH TYR A 82 -6.412 -12.968 1.456 1.00 0.00 O ATOM 0 H TYR A 82 -8.767 -8.444 -1.396 1.00 0.00 H new ATOM 0 HA TYR A 82 -11.403 -8.722 -0.095 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -9.034 -7.462 1.261 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -10.368 -8.354 1.966 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.631 -9.100 -0.516 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -9.758 -10.343 2.959 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.222 -11.101 -0.371 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -8.350 -12.349 3.106 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.684 -13.505 2.229 1.00 0.00 H new ATOM 1299 N VAL A 83 -11.953 -6.401 -0.760 1.00 0.00 N ATOM 1300 CA VAL A 83 -12.321 -5.014 -0.995 1.00 0.00 C ATOM 1301 C VAL A 83 -12.951 -4.430 0.260 1.00 0.00 C ATOM 1302 O VAL A 83 -13.933 -4.963 0.777 1.00 0.00 O ATOM 1303 CB VAL A 83 -13.299 -4.851 -2.172 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -12.797 -5.585 -3.401 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -14.685 -5.327 -1.782 1.00 0.00 C ATOM 0 H VAL A 83 -12.715 -7.070 -0.868 1.00 0.00 H new ATOM 0 HA VAL A 83 -11.405 -4.481 -1.250 1.00 0.00 H new ATOM 0 HB VAL A 83 -13.361 -3.791 -2.420 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.506 -5.454 -4.218 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -11.827 -5.183 -3.694 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.696 -6.647 -3.175 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -15.363 -5.204 -2.627 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -14.643 -6.379 -1.501 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -15.047 -4.740 -0.938 1.00 0.00 H new ATOM 1315 N PHE A 84 -12.375 -3.347 0.759 1.00 0.00 N ATOM 1316 CA PHE A 84 -12.880 -2.714 1.968 1.00 0.00 C ATOM 1317 C PHE A 84 -13.427 -1.324 1.676 1.00 0.00 C ATOM 1318 O PHE A 84 -13.530 -0.913 0.520 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.774 -2.637 3.021 1.00 0.00 C ATOM 1320 CG PHE A 84 -11.002 -3.919 3.170 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -10.051 -4.285 2.230 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -11.230 -4.758 4.249 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -9.343 -5.466 2.362 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -10.524 -5.939 4.387 1.00 0.00 C ATOM 1325 CZ PHE A 84 -9.580 -6.294 3.443 1.00 0.00 C ATOM 0 H PHE A 84 -11.561 -2.890 0.348 1.00 0.00 H new ATOM 0 HA PHE A 84 -13.698 -3.323 2.353 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -11.085 -1.835 2.756 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -12.215 -2.373 3.982 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -9.861 -3.640 1.385 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -11.967 -4.487 4.990 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -8.606 -5.741 1.622 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -10.711 -6.584 5.233 1.00 0.00 H new ATOM 0 HZ PHE A 84 -9.028 -7.216 3.549 1.00 0.00 H new ATOM 1335 N ASP A 85 -13.779 -0.605 2.734 1.00 0.00 N ATOM 1336 CA ASP A 85 -14.319 0.738 2.599 1.00 0.00 C ATOM 1337 C ASP A 85 -13.226 1.783 2.768 1.00 0.00 C ATOM 1338 O ASP A 85 -13.473 2.981 2.634 1.00 0.00 O ATOM 1339 CB ASP A 85 -15.428 0.972 3.627 1.00 0.00 C ATOM 1340 CG ASP A 85 -16.412 2.037 3.185 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -16.849 1.993 2.015 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -16.747 2.915 4.008 1.00 0.00 O ATOM 0 H ASP A 85 -13.699 -0.932 3.697 1.00 0.00 H new ATOM 0 HA ASP A 85 -14.737 0.834 1.597 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -15.962 0.038 3.800 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -14.982 1.265 4.577 1.00 0.00 H new ATOM 1347 N SER A 86 -12.013 1.324 3.064 1.00 0.00 N ATOM 1348 CA SER A 86 -10.891 2.232 3.247 1.00 0.00 C ATOM 1349 C SER A 86 -9.554 1.493 3.228 1.00 0.00 C ATOM 1350 O SER A 86 -9.439 0.331 3.662 1.00 0.00 O ATOM 1351 CB SER A 86 -11.042 3.009 4.555 1.00 0.00 C ATOM 1352 OG SER A 86 -11.120 4.403 4.312 1.00 0.00 O ATOM 0 H SER A 86 -11.786 0.337 3.181 1.00 0.00 H new ATOM 0 HA SER A 86 -10.897 2.931 2.411 1.00 0.00 H new ATOM 0 HB2 SER A 86 -11.939 2.677 5.078 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.195 2.797 5.208 1.00 0.00 H new ATOM 0 HG SER A 86 -11.803 4.799 4.893 1.00 0.00 H new ATOM 1358 N ILE A 87 -8.540 2.184 2.722 1.00 0.00 N ATOM 1359 CA ILE A 87 -7.208 1.625 2.638 1.00 0.00 C ATOM 1360 C ILE A 87 -6.741 1.115 3.995 1.00 0.00 C ATOM 1361 O ILE A 87 -6.155 0.046 4.081 1.00 0.00 O ATOM 1362 CB ILE A 87 -6.193 2.654 2.107 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -6.158 2.641 0.580 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.810 2.353 2.655 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -7.521 2.580 -0.074 1.00 0.00 C ATOM 0 H ILE A 87 -8.621 3.136 2.364 1.00 0.00 H new ATOM 0 HA ILE A 87 -7.260 0.791 1.938 1.00 0.00 H new ATOM 0 HB ILE A 87 -6.504 3.644 2.439 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -5.641 3.536 0.233 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.571 1.785 0.249 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.100 3.087 2.273 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.832 2.401 3.744 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.504 1.355 2.342 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.405 2.574 -1.158 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -8.035 1.672 0.240 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.107 3.450 0.224 1.00 0.00 H new ATOM 1377 N PRO A 88 -6.995 1.859 5.086 1.00 0.00 N ATOM 1378 CA PRO A 88 -6.579 1.429 6.419 1.00 0.00 C ATOM 1379 C PRO A 88 -7.062 0.020 6.712 1.00 0.00 C ATOM 1380 O PRO A 88 -6.280 -0.838 7.118 1.00 0.00 O ATOM 1381 CB PRO A 88 -7.230 2.436 7.368 1.00 0.00 C ATOM 1382 CG PRO A 88 -8.186 3.230 6.533 1.00 0.00 C ATOM 1383 CD PRO A 88 -7.690 3.149 5.115 1.00 0.00 C ATOM 0 HA PRO A 88 -5.494 1.403 6.523 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.750 1.927 8.180 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.481 3.083 7.825 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.196 2.828 6.613 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -8.227 4.266 6.870 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.510 3.183 4.397 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.020 3.974 4.873 1.00 0.00 H new ATOM 1391 N LEU A 89 -8.341 -0.236 6.456 1.00 0.00 N ATOM 1392 CA LEU A 89 -8.877 -1.570 6.649 1.00 0.00 C ATOM 1393 C LEU A 89 -8.277 -2.459 5.578 1.00 0.00 C ATOM 1394 O LEU A 89 -7.711 -3.522 5.865 1.00 0.00 O ATOM 1395 CB LEU A 89 -10.405 -1.585 6.558 1.00 0.00 C ATOM 1396 CG LEU A 89 -11.081 -0.222 6.681 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -11.141 0.460 5.325 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -12.475 -0.372 7.268 1.00 0.00 C ATOM 0 H LEU A 89 -9.013 0.454 6.120 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.619 -1.928 7.646 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.691 -2.029 5.604 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.792 -2.236 7.342 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.492 0.400 7.354 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.625 1.431 5.427 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.130 0.598 4.942 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.711 -0.159 4.632 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.943 0.609 7.349 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.076 -1.009 6.619 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -12.406 -0.824 8.257 1.00 0.00 H new ATOM 1410 N LEU A 90 -8.360 -1.983 4.333 1.00 0.00 N ATOM 1411 CA LEU A 90 -7.779 -2.713 3.220 1.00 0.00 C ATOM 1412 C LEU A 90 -6.311 -2.973 3.522 1.00 0.00 C ATOM 1413 O LEU A 90 -5.763 -4.021 3.181 1.00 0.00 O ATOM 1414 CB LEU A 90 -7.926 -1.923 1.922 1.00 0.00 C ATOM 1415 CG LEU A 90 -7.513 -2.679 0.660 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -8.460 -2.356 -0.483 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -6.078 -2.343 0.282 1.00 0.00 C ATOM 0 H LEU A 90 -8.818 -1.108 4.079 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.302 -3.661 3.092 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.966 -1.612 1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.328 -1.015 1.996 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.570 -3.749 0.862 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.153 -2.902 -1.375 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.474 -2.649 -0.209 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.434 -1.285 -0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.801 -2.891 -0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.992 -1.272 0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.411 -2.625 1.097 1.00 0.00 H new ATOM 1429 N ILE A 91 -5.693 -2.010 4.201 1.00 0.00 N ATOM 1430 CA ILE A 91 -4.302 -2.121 4.598 1.00 0.00 C ATOM 1431 C ILE A 91 -4.211 -2.998 5.832 1.00 0.00 C ATOM 1432 O ILE A 91 -3.361 -3.884 5.925 1.00 0.00 O ATOM 1433 CB ILE A 91 -3.671 -0.743 4.910 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -3.765 0.176 3.698 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -2.214 -0.902 5.336 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -3.041 -0.356 2.489 1.00 0.00 C ATOM 0 H ILE A 91 -6.142 -1.140 4.487 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.751 -2.558 3.765 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.227 -0.294 5.733 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.815 0.328 3.447 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.355 1.152 3.958 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.789 0.078 5.551 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.162 -1.524 6.230 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.649 -1.374 4.532 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.148 0.347 1.663 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.984 -0.482 2.724 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.466 -1.318 2.204 1.00 0.00 H new ATOM 1448 N GLN A 92 -5.120 -2.754 6.771 1.00 0.00 N ATOM 1449 CA GLN A 92 -5.173 -3.531 7.994 1.00 0.00 C ATOM 1450 C GLN A 92 -5.273 -5.005 7.644 1.00 0.00 C ATOM 1451 O GLN A 92 -4.654 -5.852 8.287 1.00 0.00 O ATOM 1452 CB GLN A 92 -6.370 -3.108 8.849 1.00 0.00 C ATOM 1453 CG GLN A 92 -6.169 -1.779 9.559 1.00 0.00 C ATOM 1454 CD GLN A 92 -4.713 -1.361 9.614 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -4.170 -0.953 8.472 1.00 0.00 O flip ATOM 1456 NE2 GLN A 92 -4.082 -1.404 10.670 1.00 0.00 N flip ATOM 0 H GLN A 92 -5.828 -2.023 6.704 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.265 -3.354 8.571 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -7.254 -3.042 8.215 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.567 -3.881 9.591 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -6.745 -1.008 9.048 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -6.561 -1.850 10.574 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -4.538 -1.724 11.524 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -3.103 -1.120 10.691 1.00 0.00 H new ATOM 1465 N TYR A 93 -6.043 -5.303 6.599 1.00 0.00 N ATOM 1466 CA TYR A 93 -6.197 -6.678 6.151 1.00 0.00 C ATOM 1467 C TYR A 93 -4.896 -7.173 5.528 1.00 0.00 C ATOM 1468 O TYR A 93 -4.537 -8.341 5.668 1.00 0.00 O ATOM 1469 CB TYR A 93 -7.346 -6.792 5.149 1.00 0.00 C ATOM 1470 CG TYR A 93 -6.914 -7.245 3.773 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -6.550 -8.565 3.532 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -6.879 -6.351 2.712 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -6.163 -8.978 2.271 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -6.492 -6.757 1.451 1.00 0.00 C ATOM 1475 CZ TYR A 93 -6.136 -8.071 1.235 1.00 0.00 C ATOM 1476 OH TYR A 93 -5.753 -8.479 -0.022 1.00 0.00 O ATOM 0 H TYR A 93 -6.564 -4.616 6.054 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.434 -7.301 7.013 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.085 -7.493 5.536 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -7.839 -5.824 5.064 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.570 -9.279 4.342 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.159 -5.321 2.876 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.883 -10.007 2.099 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.468 -6.048 0.637 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.318 -7.735 -0.489 1.00 0.00 H new ATOM 1486 N HIS A 94 -4.182 -6.272 4.852 1.00 0.00 N ATOM 1487 CA HIS A 94 -2.915 -6.624 4.228 1.00 0.00 C ATOM 1488 C HIS A 94 -1.785 -6.586 5.249 1.00 0.00 C ATOM 1489 O HIS A 94 -0.737 -7.201 5.056 1.00 0.00 O ATOM 1490 CB HIS A 94 -2.617 -5.699 3.050 1.00 0.00 C ATOM 1491 CG HIS A 94 -2.944 -6.316 1.728 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -2.253 -7.196 0.967 1.00 0.00 N flip ATOM 1493 CD2 HIS A 94 -4.122 -6.071 1.056 1.00 0.00 C flip ATOM 1494 CE1 HIS A 94 -3.020 -7.468 -0.139 1.00 0.00 C flip ATOM 1495 NE2 HIS A 94 -4.144 -6.778 -0.060 1.00 0.00 N flip ATOM 0 H HIS A 94 -4.461 -5.299 4.725 1.00 0.00 H new ATOM 0 HA HIS A 94 -2.992 -7.642 3.846 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -3.187 -4.777 3.166 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.562 -5.426 3.067 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -1.334 -7.585 1.176 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -4.905 -5.405 1.389 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -2.749 -8.137 -0.942 1.00 0.00 H new ATOM 1504 N GLN A 95 -2.009 -5.869 6.346 1.00 0.00 N ATOM 1505 CA GLN A 95 -1.012 -5.764 7.404 1.00 0.00 C ATOM 1506 C GLN A 95 -1.078 -6.984 8.318 1.00 0.00 C ATOM 1507 O GLN A 95 -0.290 -7.116 9.255 1.00 0.00 O ATOM 1508 CB GLN A 95 -1.228 -4.489 8.221 1.00 0.00 C ATOM 1509 CG GLN A 95 -1.541 -3.269 7.372 1.00 0.00 C ATOM 1510 CD GLN A 95 -0.586 -2.120 7.631 1.00 0.00 C ATOM 1511 OE1 GLN A 95 0.363 -1.906 6.877 1.00 0.00 O ATOM 1512 NE2 GLN A 95 -0.833 -1.374 8.702 1.00 0.00 N ATOM 0 H GLN A 95 -2.871 -5.353 6.525 1.00 0.00 H new ATOM 0 HA GLN A 95 -0.026 -5.721 6.942 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -2.045 -4.652 8.924 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.334 -4.290 8.812 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -1.497 -3.543 6.318 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.561 -2.942 7.574 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -1.632 -1.588 9.299 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.224 -0.587 8.927 1.00 0.00 H new ATOM 1521 N TYR A 96 -2.028 -7.870 8.038 1.00 0.00 N ATOM 1522 CA TYR A 96 -2.209 -9.078 8.830 1.00 0.00 C ATOM 1523 C TYR A 96 -2.414 -10.296 7.934 1.00 0.00 C ATOM 1524 O TYR A 96 -1.733 -11.311 8.084 1.00 0.00 O ATOM 1525 CB TYR A 96 -3.404 -8.916 9.770 1.00 0.00 C ATOM 1526 CG TYR A 96 -3.200 -7.862 10.833 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -3.030 -6.527 10.487 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -3.178 -8.199 12.180 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -2.843 -5.559 11.453 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -2.993 -7.236 13.153 1.00 0.00 C ATOM 1531 CZ TYR A 96 -2.825 -5.917 12.785 1.00 0.00 C ATOM 1532 OH TYR A 96 -2.640 -4.954 13.751 1.00 0.00 O ATOM 0 H TYR A 96 -2.686 -7.772 7.265 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.306 -9.235 9.419 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.286 -8.661 9.182 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -3.608 -9.872 10.253 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -3.044 -6.242 9.445 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -3.308 -9.231 12.472 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -2.711 -4.526 11.167 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -2.980 -7.514 14.196 1.00 0.00 H new ATOM 0 HH TYR A 96 -2.655 -5.372 14.637 1.00 0.00 H new ATOM 1542 N ASN A 97 -3.358 -10.189 7.006 1.00 0.00 N ATOM 1543 CA ASN A 97 -3.657 -11.282 6.087 1.00 0.00 C ATOM 1544 C ASN A 97 -2.507 -11.508 5.110 1.00 0.00 C ATOM 1545 O ASN A 97 -1.434 -10.923 5.253 1.00 0.00 O ATOM 1546 CB ASN A 97 -4.945 -10.991 5.316 1.00 0.00 C ATOM 1547 CG ASN A 97 -6.151 -10.868 6.228 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -6.611 -9.640 6.439 1.00 0.00 O flip ATOM 1549 ND2 ASN A 97 -6.662 -11.865 6.738 1.00 0.00 N flip ATOM 0 H ASN A 97 -3.930 -9.356 6.870 1.00 0.00 H new ATOM 0 HA ASN A 97 -3.790 -12.189 6.677 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -4.825 -10.067 4.750 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.120 -11.787 4.593 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -6.276 -12.790 6.548 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -7.472 -11.766 7.350 1.00 0.00 H new ATOM 1556 N GLY A 98 -2.741 -12.361 4.118 1.00 0.00 N ATOM 1557 CA GLY A 98 -1.719 -12.652 3.130 1.00 0.00 C ATOM 1558 C GLY A 98 -1.678 -11.626 2.016 1.00 0.00 C ATOM 1559 O GLY A 98 -0.605 -11.281 1.519 1.00 0.00 O ATOM 0 H GLY A 98 -3.622 -12.857 3.981 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.746 -12.691 3.620 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.901 -13.639 2.704 1.00 0.00 H new ATOM 1563 N GLY A 99 -2.848 -11.136 1.621 1.00 0.00 N ATOM 1564 CA GLY A 99 -2.919 -10.147 0.561 1.00 0.00 C ATOM 1565 C GLY A 99 -2.463 -10.694 -0.777 1.00 0.00 C ATOM 1566 O GLY A 99 -3.162 -10.556 -1.782 1.00 0.00 O ATOM 0 H GLY A 99 -3.749 -11.406 2.016 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.944 -9.788 0.472 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.302 -9.289 0.828 1.00 0.00 H new ATOM 1570 N GLY A 100 -1.288 -11.314 -0.792 1.00 0.00 N ATOM 1571 CA GLY A 100 -0.761 -11.871 -2.024 1.00 0.00 C ATOM 1572 C GLY A 100 0.183 -10.918 -2.730 1.00 0.00 C ATOM 1573 O GLY A 100 0.521 -11.118 -3.897 1.00 0.00 O ATOM 0 H GLY A 100 -0.692 -11.441 0.026 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.237 -12.801 -1.804 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -1.587 -12.120 -2.690 1.00 0.00 H new ATOM 1577 N LEU A 101 0.610 -9.878 -2.019 1.00 0.00 N ATOM 1578 CA LEU A 101 1.521 -8.889 -2.582 1.00 0.00 C ATOM 1579 C LEU A 101 2.968 -9.261 -2.273 1.00 0.00 C ATOM 1580 O LEU A 101 3.267 -10.413 -1.962 1.00 0.00 O ATOM 1581 CB LEU A 101 1.210 -7.496 -2.023 1.00 0.00 C ATOM 1582 CG LEU A 101 -0.263 -7.074 -2.081 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -1.174 -8.285 -2.199 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -0.625 -6.250 -0.855 1.00 0.00 C ATOM 0 H LEU A 101 0.339 -9.699 -1.052 1.00 0.00 H new ATOM 0 HA LEU A 101 1.384 -8.874 -3.663 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.540 -7.459 -0.985 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.801 -6.763 -2.572 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.406 -6.459 -2.970 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.213 -7.957 -2.238 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -0.933 -8.835 -3.109 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.031 -8.934 -1.335 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.674 -5.957 -0.910 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.461 -6.844 0.044 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.001 -5.357 -0.819 1.00 0.00 H new ATOM 1596 N VAL A 102 3.864 -8.281 -2.353 1.00 0.00 N ATOM 1597 CA VAL A 102 5.274 -8.522 -2.071 1.00 0.00 C ATOM 1598 C VAL A 102 5.441 -9.246 -0.742 1.00 0.00 C ATOM 1599 O VAL A 102 6.505 -9.789 -0.444 1.00 0.00 O ATOM 1600 CB VAL A 102 6.078 -7.207 -2.026 1.00 0.00 C ATOM 1601 CG1 VAL A 102 5.895 -6.421 -3.315 1.00 0.00 C ATOM 1602 CG2 VAL A 102 5.671 -6.373 -0.820 1.00 0.00 C ATOM 0 H VAL A 102 3.640 -7.319 -2.609 1.00 0.00 H new ATOM 0 HA VAL A 102 5.658 -9.142 -2.881 1.00 0.00 H new ATOM 0 HB VAL A 102 7.135 -7.454 -1.928 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.471 -5.497 -3.262 1.00 0.00 H new ATOM 0 HG12 VAL A 102 6.243 -7.018 -4.158 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.840 -6.184 -3.450 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.249 -5.449 -0.805 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.609 -6.136 -0.883 1.00 0.00 H new ATOM 0 HG23 VAL A 102 5.863 -6.936 0.093 1.00 0.00 H new ATOM 1612 N THR A 103 4.377 -9.246 0.054 1.00 0.00 N ATOM 1613 CA THR A 103 4.390 -9.898 1.356 1.00 0.00 C ATOM 1614 C THR A 103 3.384 -9.239 2.293 1.00 0.00 C ATOM 1615 O THR A 103 3.614 -9.140 3.498 1.00 0.00 O ATOM 1616 CB THR A 103 5.790 -9.838 1.968 1.00 0.00 C ATOM 1617 OG1 THR A 103 5.736 -10.054 3.367 1.00 0.00 O ATOM 1618 CG2 THR A 103 6.491 -8.517 1.733 1.00 0.00 C ATOM 0 H THR A 103 3.491 -8.799 -0.183 1.00 0.00 H new ATOM 0 HA THR A 103 4.110 -10.942 1.219 1.00 0.00 H new ATOM 0 HB THR A 103 6.357 -10.624 1.469 1.00 0.00 H new ATOM 0 HG1 THR A 103 5.163 -9.376 3.781 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.479 -8.542 2.193 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.594 -8.345 0.662 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.905 -7.711 2.175 1.00 0.00 H new ATOM 1626 N ARG A 104 2.268 -8.786 1.727 1.00 0.00 N ATOM 1627 CA ARG A 104 1.223 -8.130 2.505 1.00 0.00 C ATOM 1628 C ARG A 104 1.821 -7.058 3.411 1.00 0.00 C ATOM 1629 O ARG A 104 3.004 -7.105 3.743 1.00 0.00 O ATOM 1630 CB ARG A 104 0.452 -9.159 3.337 1.00 0.00 C ATOM 1631 CG ARG A 104 1.338 -10.056 4.186 1.00 0.00 C ATOM 1632 CD ARG A 104 1.908 -9.309 5.383 1.00 0.00 C ATOM 1633 NE ARG A 104 2.898 -10.104 6.102 1.00 0.00 N ATOM 1634 CZ ARG A 104 3.020 -10.105 7.426 1.00 0.00 C ATOM 1635 NH1 ARG A 104 2.216 -9.356 8.168 1.00 0.00 N ATOM 1636 NH2 ARG A 104 3.946 -10.855 8.008 1.00 0.00 N ATOM 0 H ARG A 104 2.065 -8.862 0.730 1.00 0.00 H new ATOM 0 HA ARG A 104 0.530 -7.650 1.814 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -0.247 -8.634 3.988 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -0.142 -9.781 2.667 1.00 0.00 H new ATOM 0 HG2 ARG A 104 0.762 -10.914 4.532 1.00 0.00 H new ATOM 0 HG3 ARG A 104 2.154 -10.444 3.577 1.00 0.00 H new ATOM 0 HD2 ARG A 104 2.365 -8.379 5.046 1.00 0.00 H new ATOM 0 HD3 ARG A 104 1.098 -9.039 6.061 1.00 0.00 H new ATOM 0 HE ARG A 104 3.531 -10.691 5.559 1.00 0.00 H new ATOM 0 HH11 ARG A 104 1.503 -8.778 7.723 1.00 0.00 H new ATOM 0 HH12 ARG A 104 2.311 -9.358 9.184 1.00 0.00 H new ATOM 0 HH21 ARG A 104 4.566 -11.432 7.440 1.00 0.00 H new ATOM 0 HH22 ARG A 104 4.038 -10.855 9.024 1.00 0.00 H new ATOM 1650 N LEU A 105 0.999 -6.088 3.806 1.00 0.00 N ATOM 1651 CA LEU A 105 1.462 -5.006 4.670 1.00 0.00 C ATOM 1652 C LEU A 105 2.318 -5.539 5.811 1.00 0.00 C ATOM 1653 O LEU A 105 1.864 -5.641 6.951 1.00 0.00 O ATOM 1654 CB LEU A 105 0.278 -4.207 5.222 1.00 0.00 C ATOM 1655 CG LEU A 105 -0.291 -3.166 4.270 1.00 0.00 C ATOM 1656 CD1 LEU A 105 0.542 -3.093 3.010 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -1.731 -3.470 3.930 1.00 0.00 C ATOM 0 H LEU A 105 0.015 -6.029 3.543 1.00 0.00 H new ATOM 0 HA LEU A 105 2.079 -4.341 4.065 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.516 -4.903 5.493 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.591 -3.707 6.139 1.00 0.00 H new ATOM 0 HG LEU A 105 -0.258 -2.198 4.770 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.122 -2.344 2.339 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.565 -2.818 3.266 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.540 -4.064 2.516 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.112 -2.710 3.248 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.794 -4.449 3.454 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.328 -3.471 4.842 1.00 0.00 H new ATOM 1669 N ARG A 106 3.565 -5.868 5.496 1.00 0.00 N ATOM 1670 CA ARG A 106 4.495 -6.381 6.491 1.00 0.00 C ATOM 1671 C ARG A 106 4.910 -5.275 7.453 1.00 0.00 C ATOM 1672 O ARG A 106 5.088 -5.510 8.648 1.00 0.00 O ATOM 1673 CB ARG A 106 5.732 -6.960 5.807 1.00 0.00 C ATOM 1674 CG ARG A 106 6.543 -7.887 6.697 1.00 0.00 C ATOM 1675 CD ARG A 106 7.179 -7.133 7.853 1.00 0.00 C ATOM 1676 NE ARG A 106 6.731 -7.638 9.149 1.00 0.00 N ATOM 1677 CZ ARG A 106 6.861 -6.963 10.286 1.00 0.00 C ATOM 1678 NH1 ARG A 106 7.422 -5.762 10.287 1.00 0.00 N ATOM 1679 NH2 ARG A 106 6.428 -7.490 11.424 1.00 0.00 N ATOM 0 H ARG A 106 3.955 -5.788 4.557 1.00 0.00 H new ATOM 0 HA ARG A 106 3.996 -7.169 7.054 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.422 -7.505 4.916 1.00 0.00 H new ATOM 0 HB3 ARG A 106 6.369 -6.141 5.474 1.00 0.00 H new ATOM 0 HG2 ARG A 106 5.899 -8.675 7.086 1.00 0.00 H new ATOM 0 HG3 ARG A 106 7.320 -8.373 6.106 1.00 0.00 H new ATOM 0 HD2 ARG A 106 8.264 -7.216 7.787 1.00 0.00 H new ATOM 0 HD3 ARG A 106 6.935 -6.074 7.773 1.00 0.00 H new ATOM 0 HE ARG A 106 6.295 -8.559 9.183 1.00 0.00 H new ATOM 0 HH11 ARG A 106 7.755 -5.354 9.414 1.00 0.00 H new ATOM 0 HH12 ARG A 106 7.521 -5.246 11.161 1.00 0.00 H new ATOM 0 HH21 ARG A 106 5.995 -8.414 11.426 1.00 0.00 H new ATOM 0 HH22 ARG A 106 6.528 -6.972 12.297 1.00 0.00 H new ATOM 1693 N TYR A 107 5.064 -4.068 6.918 1.00 0.00 N ATOM 1694 CA TYR A 107 5.460 -2.922 7.725 1.00 0.00 C ATOM 1695 C TYR A 107 5.344 -1.626 6.937 1.00 0.00 C ATOM 1696 O TYR A 107 6.256 -1.254 6.200 1.00 0.00 O ATOM 1697 CB TYR A 107 6.895 -3.074 8.214 1.00 0.00 C ATOM 1698 CG TYR A 107 7.396 -1.829 8.898 1.00 0.00 C ATOM 1699 CD1 TYR A 107 6.959 -1.504 10.171 1.00 0.00 C ATOM 1700 CD2 TYR A 107 8.281 -0.968 8.266 1.00 0.00 C ATOM 1701 CE1 TYR A 107 7.389 -0.358 10.800 1.00 0.00 C ATOM 1702 CE2 TYR A 107 8.723 0.182 8.889 1.00 0.00 C ATOM 1703 CZ TYR A 107 8.272 0.484 10.158 1.00 0.00 C ATOM 1704 OH TYR A 107 8.705 1.631 10.784 1.00 0.00 O ATOM 0 H TYR A 107 4.920 -3.859 5.930 1.00 0.00 H new ATOM 0 HA TYR A 107 4.785 -2.883 8.580 1.00 0.00 H new ATOM 0 HB2 TYR A 107 6.955 -3.915 8.904 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.542 -3.308 7.369 1.00 0.00 H new ATOM 0 HD1 TYR A 107 6.269 -2.161 10.679 1.00 0.00 H new ATOM 0 HD2 TYR A 107 8.630 -1.201 7.271 1.00 0.00 H new ATOM 0 HE1 TYR A 107 7.036 -0.119 11.792 1.00 0.00 H new ATOM 0 HE2 TYR A 107 9.417 0.840 8.387 1.00 0.00 H new ATOM 0 HH TYR A 107 8.077 2.361 10.601 1.00 0.00 H new ATOM 1714 N PRO A 108 4.225 -0.909 7.087 1.00 0.00 N ATOM 1715 CA PRO A 108 4.011 0.358 6.393 1.00 0.00 C ATOM 1716 C PRO A 108 5.176 1.328 6.608 1.00 0.00 C ATOM 1717 O PRO A 108 5.744 1.394 7.697 1.00 0.00 O ATOM 1718 CB PRO A 108 2.716 0.898 7.019 1.00 0.00 C ATOM 1719 CG PRO A 108 2.506 0.090 8.253 1.00 0.00 C ATOM 1720 CD PRO A 108 3.087 -1.255 7.946 1.00 0.00 C ATOM 0 HA PRO A 108 3.943 0.234 5.312 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.806 1.958 7.254 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.875 0.794 6.333 1.00 0.00 H new ATOM 0 HG2 PRO A 108 3.000 0.546 9.111 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.447 0.014 8.499 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.402 -1.779 8.849 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.373 -1.901 7.436 1.00 0.00 H new ATOM 1728 N VAL A 109 5.533 2.068 5.561 1.00 0.00 N ATOM 1729 CA VAL A 109 6.625 3.021 5.625 1.00 0.00 C ATOM 1730 C VAL A 109 6.127 4.426 5.319 1.00 0.00 C ATOM 1731 O VAL A 109 5.155 4.601 4.586 1.00 0.00 O ATOM 1732 CB VAL A 109 7.722 2.665 4.609 1.00 0.00 C ATOM 1733 CG1 VAL A 109 8.407 1.358 4.978 1.00 0.00 C ATOM 1734 CG2 VAL A 109 7.132 2.596 3.209 1.00 0.00 C ATOM 0 H VAL A 109 5.073 2.021 4.652 1.00 0.00 H new ATOM 0 HA VAL A 109 7.033 2.982 6.635 1.00 0.00 H new ATOM 0 HB VAL A 109 8.480 3.448 4.629 1.00 0.00 H new ATOM 0 HG11 VAL A 109 9.178 1.131 4.242 1.00 0.00 H new ATOM 0 HG12 VAL A 109 8.862 1.452 5.964 1.00 0.00 H new ATOM 0 HG13 VAL A 109 7.672 0.553 4.993 1.00 0.00 H new ATOM 0 HG21 VAL A 109 7.916 2.343 2.496 1.00 0.00 H new ATOM 0 HG22 VAL A 109 6.355 1.833 3.179 1.00 0.00 H new ATOM 0 HG23 VAL A 109 6.702 3.563 2.948 1.00 0.00 H new ATOM 1744 N CYS A 110 6.799 5.424 5.874 1.00 0.00 N ATOM 1745 CA CYS A 110 6.415 6.808 5.642 1.00 0.00 C ATOM 1746 C CYS A 110 7.646 7.694 5.507 1.00 0.00 C ATOM 1747 O CYS A 110 8.124 8.269 6.485 1.00 0.00 O ATOM 1748 CB CYS A 110 5.521 7.312 6.772 1.00 0.00 C ATOM 1749 SG CYS A 110 6.407 7.708 8.297 1.00 0.00 S ATOM 0 H CYS A 110 7.607 5.303 6.484 1.00 0.00 H new ATOM 0 HA CYS A 110 5.855 6.853 4.708 1.00 0.00 H new ATOM 0 HB2 CYS A 110 4.991 8.201 6.432 1.00 0.00 H new ATOM 0 HB3 CYS A 110 4.767 6.555 6.989 1.00 0.00 H new ATOM 0 HG CYS A 110 7.521 8.313 8.007 1.00 0.00 H new ATOM 1755 N GLY A 111 8.151 7.793 4.285 1.00 0.00 N ATOM 1756 CA GLY A 111 9.323 8.608 4.028 1.00 0.00 C ATOM 1757 C GLY A 111 9.273 9.940 4.749 1.00 0.00 C ATOM 1758 O GLY A 111 9.940 10.127 5.768 1.00 0.00 O ATOM 0 H GLY A 111 7.769 7.322 3.465 1.00 0.00 H new ATOM 0 HA2 GLY A 111 10.215 8.064 4.338 1.00 0.00 H new ATOM 0 HA3 GLY A 111 9.413 8.782 2.956 1.00 0.00 H new HETATM 1762 N NH2 A 112 8.486 10.874 4.229 1.00 0.00 N TER 1765 NH2 A 112