USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=34 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 81 LYS NZ :NH3+ 154:sc= -11.8! (180deg=-11.9!) USER MOD Set 1.2: A 93 TYR OH : rot 57:sc= -12! USER MOD Set 1.3: A 94 HIS : no HD1:sc= -43.7! C(o=-68!,f=-64!) USER MOD Set 2.1: A 62 LYS NZ :NH3+ 149:sc= 0.516 (180deg=-2.08!) USER MOD Set 2.2: A 64 TYR OH : rot -102:sc= -12.2! USER MOD Set 3.1: A 51 THR OG1 : rot 145:sc= -0.589! USER MOD Set 3.2: A 60 CYS SG : rot 180:sc= -6.35! USER MOD Set 4.1: A 44 THR OG1 : rot -64:sc= -8.42! USER MOD Set 4.2: A 46 THR OG1 : rot 64:sc= -1.93! USER MOD Set 4.3: A 65 HIS : no HE2:sc= -21.6! C(o=-32!,f=-39!) USER MOD Set 5.1: A 13 ASN : amide:sc= -17! C(o=-51!,f=-43!) USER MOD Set 5.2: A 35 MET CE :methyl -158:sc= -33.7! (180deg=-35.6!) USER MOD Set 6.1: A 28 THR OG1 : rot -70:sc= -7.76! USER MOD Set 6.2: A 30 LYS NZ :NH3+ -157:sc= -15.7! (180deg=-16.7!) USER MOD Single : A 4 ASN : amide:sc= 0.738 K(o=0.74,f=-4!) USER MOD Single : A 5 ASN : amide:sc= -0.537 X(o=-0.54,f=-0.076) USER MOD Single : A 8 THR OG1 : rot 2:sc= 0.986 USER MOD Single : A 9 TYR OH : rot 150:sc= -4.13! USER MOD Single : A 12 TYR OH : rot 180:sc= -1.52 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= -0.0206 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 167:sc= -1.09! (180deg=-1.61!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 170:sc= -0.563! USER MOD Single : A 41 THR OG1 : rot -160:sc= -6.02! USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -156:sc= -6.59! USER MOD Single : A 52 LYS NZ :NH3+ 165:sc= -16.2! (180deg=-17.7!) USER MOD Single : A 56 SER OG : rot 180:sc= 0.139 USER MOD Single : A 58 ASN : amide:sc= -4.5! C(o=-4.5!,f=-2.1!) USER MOD Single : A 63 HIS : no HD1:sc= -14.4! C(o=-14!,f=-23!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -4.11! USER MOD Single : A 70 ASN : amide:sc= -0.358 X(o=-0.36,f=-0.36) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot -54:sc= 0.423 USER MOD Single : A 77 TYR OH : rot -16:sc= -1.22! USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 145:sc= -5.33! USER MOD Single : A 92 GLN : amide:sc= -6.09! C(o=-6.1!,f=-2.6!) USER MOD Single : A 95 GLN : amide:sc= -32.1! C(o=-32!,f=-32!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -5.14! C(o=-5.1!,f=-2.1!) USER MOD Single : A 103 THR OG1 : rot 56:sc= -8.42! USER MOD Single : A 107 TYR OH : rot -116:sc= 1.12 USER MOD Single : A 110 CYS SG : rot 29:sc= 0.43 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 3 -13.317 9.388 7.734 1.00 0.00 C HETATM 2 O ACE A 3 -12.216 9.778 8.122 1.00 0.00 O HETATM 3 CH3 ACE A 3 -14.457 10.357 7.542 1.00 0.00 C HETATM 0 H1 ACE A 3 -14.784 10.333 6.502 1.00 0.00 H new HETATM 0 H2 ACE A 3 -15.287 10.075 8.190 1.00 0.00 H new HETATM 0 H3 ACE A 3 -14.125 11.364 7.795 1.00 0.00 H new ATOM 7 N ASN A 4 -13.579 8.114 7.462 1.00 0.00 N ATOM 8 CA ASN A 4 -12.563 7.078 7.609 1.00 0.00 C ATOM 9 C ASN A 4 -11.169 7.641 7.352 1.00 0.00 C ATOM 10 O ASN A 4 -10.373 7.800 8.278 1.00 0.00 O ATOM 11 CB ASN A 4 -12.842 5.920 6.648 1.00 0.00 C ATOM 12 CG ASN A 4 -14.074 6.160 5.797 1.00 0.00 C ATOM 13 OD1 ASN A 4 -15.132 6.532 6.306 1.00 0.00 O ATOM 14 ND2 ASN A 4 -13.943 5.948 4.493 1.00 0.00 N ATOM 0 H ASN A 4 -14.485 7.774 7.139 1.00 0.00 H new ATOM 0 HA ASN A 4 -12.603 6.709 8.634 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -11.978 5.774 5.999 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -12.971 5.001 7.219 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -14.738 6.093 3.870 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -13.048 5.640 4.114 1.00 0.00 H new ATOM 21 N ASN A 5 -10.882 7.942 6.090 1.00 0.00 N ATOM 22 CA ASN A 5 -9.584 8.489 5.712 1.00 0.00 C ATOM 23 C ASN A 5 -8.453 7.740 6.410 1.00 0.00 C ATOM 24 O ASN A 5 -8.695 6.867 7.244 1.00 0.00 O ATOM 25 CB ASN A 5 -9.514 9.977 6.055 1.00 0.00 C ATOM 26 CG ASN A 5 -9.413 10.852 4.821 1.00 0.00 C ATOM 27 OD1 ASN A 5 -10.365 10.969 4.049 1.00 0.00 O ATOM 28 ND2 ASN A 5 -8.254 11.470 4.627 1.00 0.00 N ATOM 0 H ASN A 5 -11.530 7.817 5.312 1.00 0.00 H new ATOM 0 HA ASN A 5 -9.466 8.366 4.635 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.400 10.258 6.624 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -8.652 10.159 6.697 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -8.126 12.070 3.812 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -7.491 11.345 5.293 1.00 0.00 H new ATOM 35 N LEU A 6 -7.219 8.088 6.065 1.00 0.00 N ATOM 36 CA LEU A 6 -6.049 7.450 6.659 1.00 0.00 C ATOM 37 C LEU A 6 -5.065 8.492 7.178 1.00 0.00 C ATOM 38 O LEU A 6 -5.178 8.953 8.313 1.00 0.00 O ATOM 39 CB LEU A 6 -5.370 6.535 5.636 1.00 0.00 C ATOM 40 CG LEU A 6 -6.109 6.394 4.306 1.00 0.00 C ATOM 41 CD1 LEU A 6 -5.158 5.932 3.214 1.00 0.00 C ATOM 42 CD2 LEU A 6 -7.271 5.424 4.449 1.00 0.00 C ATOM 0 H LEU A 6 -7.002 8.809 5.377 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.380 6.847 7.505 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.368 6.916 5.439 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.254 5.545 6.077 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.505 7.369 4.024 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.702 5.837 2.274 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.356 6.661 3.097 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.733 4.966 3.486 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.789 5.333 3.494 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.894 4.447 4.752 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.964 5.795 5.204 1.00 0.00 H new ATOM 54 N GLU A 7 -4.101 8.859 6.346 1.00 0.00 N ATOM 55 CA GLU A 7 -3.098 9.842 6.728 1.00 0.00 C ATOM 56 C GLU A 7 -2.709 9.687 8.192 1.00 0.00 C ATOM 57 O GLU A 7 -2.460 10.671 8.889 1.00 0.00 O ATOM 58 CB GLU A 7 -3.609 11.261 6.466 1.00 0.00 C ATOM 59 CG GLU A 7 -5.125 11.364 6.428 1.00 0.00 C ATOM 60 CD GLU A 7 -5.606 12.758 6.075 1.00 0.00 C ATOM 61 OE1 GLU A 7 -4.786 13.562 5.584 1.00 0.00 O ATOM 62 OE2 GLU A 7 -6.802 13.046 6.290 1.00 0.00 O ATOM 0 H GLU A 7 -3.992 8.490 5.401 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.211 9.669 6.118 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -3.227 11.925 7.242 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.205 11.614 5.517 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.516 10.654 5.699 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.529 11.079 7.399 1.00 0.00 H new ATOM 69 N THR A 8 -2.657 8.443 8.650 1.00 0.00 N ATOM 70 CA THR A 8 -2.295 8.149 10.030 1.00 0.00 C ATOM 71 C THR A 8 -1.739 6.734 10.159 1.00 0.00 C ATOM 72 O THR A 8 -1.611 6.208 11.265 1.00 0.00 O ATOM 73 CB THR A 8 -3.515 8.308 10.933 1.00 0.00 C ATOM 74 OG1 THR A 8 -3.335 7.609 12.152 1.00 0.00 O ATOM 75 CG2 THR A 8 -4.788 7.803 10.295 1.00 0.00 C ATOM 0 H THR A 8 -2.862 7.619 8.084 1.00 0.00 H new ATOM 0 HA THR A 8 -1.521 8.853 10.337 1.00 0.00 H new ATOM 0 HB THR A 8 -3.611 9.379 11.109 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.444 7.201 12.167 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.621 7.943 10.984 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.980 8.358 9.377 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.683 6.743 10.063 1.00 0.00 H new ATOM 83 N TYR A 9 -1.414 6.119 9.025 1.00 0.00 N ATOM 84 CA TYR A 9 -0.881 4.765 9.023 1.00 0.00 C ATOM 85 C TYR A 9 0.600 4.755 8.722 1.00 0.00 C ATOM 86 O TYR A 9 1.075 5.471 7.840 1.00 0.00 O ATOM 87 CB TYR A 9 -1.610 3.909 7.996 1.00 0.00 C ATOM 88 CG TYR A 9 -3.077 3.801 8.302 1.00 0.00 C ATOM 89 CD1 TYR A 9 -3.547 2.826 9.167 1.00 0.00 C ATOM 90 CD2 TYR A 9 -3.990 4.691 7.750 1.00 0.00 C ATOM 91 CE1 TYR A 9 -4.886 2.734 9.475 1.00 0.00 C ATOM 92 CE2 TYR A 9 -5.334 4.603 8.051 1.00 0.00 C ATOM 93 CZ TYR A 9 -5.777 3.623 8.915 1.00 0.00 C ATOM 94 OH TYR A 9 -7.116 3.534 9.219 1.00 0.00 O ATOM 0 H TYR A 9 -1.511 6.537 8.100 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.035 4.352 10.020 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.476 4.339 7.003 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -1.169 2.913 7.974 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.852 2.127 9.607 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.644 5.461 7.077 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.236 1.969 10.152 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.035 5.298 7.613 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.522 4.425 9.173 1.00 0.00 H new ATOM 104 N GLU A 10 1.325 3.917 9.440 1.00 0.00 N ATOM 105 CA GLU A 10 2.748 3.790 9.224 1.00 0.00 C ATOM 106 C GLU A 10 3.021 3.628 7.739 1.00 0.00 C ATOM 107 O GLU A 10 4.156 3.757 7.290 1.00 0.00 O ATOM 108 CB GLU A 10 3.292 2.585 9.986 1.00 0.00 C ATOM 109 CG GLU A 10 4.430 1.879 9.271 1.00 0.00 C ATOM 110 CD GLU A 10 5.197 0.939 10.179 1.00 0.00 C ATOM 111 OE1 GLU A 10 4.672 -0.153 10.482 1.00 0.00 O ATOM 112 OE2 GLU A 10 6.322 1.294 10.588 1.00 0.00 O ATOM 0 H GLU A 10 0.950 3.317 10.175 1.00 0.00 H new ATOM 0 HA GLU A 10 3.246 4.688 9.589 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.637 2.911 10.967 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.482 1.875 10.153 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.030 1.317 8.427 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.114 2.623 8.863 1.00 0.00 H new ATOM 119 N TRP A 11 1.969 3.307 6.984 1.00 0.00 N ATOM 120 CA TRP A 11 2.096 3.088 5.554 1.00 0.00 C ATOM 121 C TRP A 11 1.674 4.293 4.716 1.00 0.00 C ATOM 122 O TRP A 11 2.285 4.579 3.687 1.00 0.00 O ATOM 123 CB TRP A 11 1.254 1.889 5.141 1.00 0.00 C ATOM 124 CG TRP A 11 -0.041 1.746 5.901 1.00 0.00 C ATOM 125 CD1 TRP A 11 -0.268 1.023 7.043 1.00 0.00 C ATOM 126 CD2 TRP A 11 -1.304 2.314 5.536 1.00 0.00 C ATOM 127 NE1 TRP A 11 -1.599 1.105 7.396 1.00 0.00 N ATOM 128 CE2 TRP A 11 -2.250 1.894 6.488 1.00 0.00 C ATOM 129 CE3 TRP A 11 -1.722 3.136 4.496 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -3.590 2.272 6.420 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -3.048 3.512 4.429 1.00 0.00 C ATOM 132 CH2 TRP A 11 -3.970 3.078 5.385 1.00 0.00 C ATOM 0 H TRP A 11 1.022 3.194 7.345 1.00 0.00 H new ATOM 0 HA TRP A 11 3.155 2.912 5.364 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.030 1.967 4.077 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.843 0.982 5.277 1.00 0.00 H new ATOM 0 HD1 TRP A 11 0.484 0.471 7.586 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.028 0.651 8.203 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -1.018 3.476 3.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.303 1.939 7.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -3.379 4.152 3.624 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -5.002 3.386 5.304 1.00 0.00 H new ATOM 143 N TYR A 12 0.605 4.966 5.118 1.00 0.00 N ATOM 144 CA TYR A 12 0.103 6.096 4.345 1.00 0.00 C ATOM 145 C TYR A 12 1.120 7.214 4.186 1.00 0.00 C ATOM 146 O TYR A 12 1.849 7.564 5.116 1.00 0.00 O ATOM 147 CB TYR A 12 -1.176 6.669 4.944 1.00 0.00 C ATOM 148 CG TYR A 12 -1.874 7.616 3.994 1.00 0.00 C ATOM 149 CD1 TYR A 12 -2.642 7.129 2.948 1.00 0.00 C ATOM 150 CD2 TYR A 12 -1.748 8.995 4.130 1.00 0.00 C ATOM 151 CE1 TYR A 12 -3.272 7.984 2.066 1.00 0.00 C ATOM 152 CE2 TYR A 12 -2.376 9.859 3.250 1.00 0.00 C ATOM 153 CZ TYR A 12 -3.137 9.347 2.221 1.00 0.00 C ATOM 154 OH TYR A 12 -3.762 10.202 1.342 1.00 0.00 O ATOM 0 H TYR A 12 0.074 4.754 5.963 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.108 5.689 3.356 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.851 5.854 5.204 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.939 7.194 5.870 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.749 6.062 2.821 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.151 9.397 4.935 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.868 7.587 1.258 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -2.271 10.927 3.369 1.00 0.00 H new ATOM 0 HH TYR A 12 -3.566 11.129 1.592 1.00 0.00 H new ATOM 164 N ASN A 13 1.125 7.783 2.988 1.00 0.00 N ATOM 165 CA ASN A 13 2.001 8.890 2.642 1.00 0.00 C ATOM 166 C ASN A 13 1.244 9.882 1.769 1.00 0.00 C ATOM 167 O ASN A 13 1.065 9.657 0.572 1.00 0.00 O ATOM 168 CB ASN A 13 3.235 8.385 1.907 1.00 0.00 C ATOM 169 CG ASN A 13 4.502 9.052 2.400 1.00 0.00 C ATOM 170 OD1 ASN A 13 4.635 10.275 2.355 1.00 0.00 O ATOM 171 ND2 ASN A 13 5.432 8.249 2.886 1.00 0.00 N ATOM 0 H ASN A 13 0.517 7.486 2.225 1.00 0.00 H new ATOM 0 HA ASN A 13 2.325 9.385 3.558 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.319 7.306 2.038 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.121 8.568 0.839 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.305 8.637 3.244 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.277 7.241 2.903 1.00 0.00 H new ATOM 178 N LYS A 14 0.781 10.967 2.375 1.00 0.00 N ATOM 179 CA LYS A 14 0.025 11.971 1.653 1.00 0.00 C ATOM 180 C LYS A 14 0.887 12.687 0.620 1.00 0.00 C ATOM 181 O LYS A 14 2.108 12.768 0.756 1.00 0.00 O ATOM 182 CB LYS A 14 -0.559 12.976 2.636 1.00 0.00 C ATOM 183 CG LYS A 14 -0.899 12.379 3.991 1.00 0.00 C ATOM 184 CD LYS A 14 -0.101 13.037 5.105 1.00 0.00 C ATOM 185 CE LYS A 14 -1.012 13.603 6.182 1.00 0.00 C ATOM 186 NZ LYS A 14 -0.997 15.092 6.197 1.00 0.00 N ATOM 0 H LYS A 14 0.918 11.171 3.365 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.782 11.470 1.119 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.153 13.790 2.776 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.460 13.411 2.204 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.965 12.499 4.186 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.695 11.308 3.980 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.578 12.308 5.547 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.514 13.836 4.691 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.031 13.252 6.017 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.699 13.227 7.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.631 15.438 6.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.030 15.428 6.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.320 15.452 5.276 1.00 0.00 H new ATOM 200 N SER A 15 0.232 13.209 -0.411 1.00 0.00 N ATOM 201 CA SER A 15 0.916 13.930 -1.482 1.00 0.00 C ATOM 202 C SER A 15 2.048 13.102 -2.094 1.00 0.00 C ATOM 203 O SER A 15 2.729 13.557 -3.014 1.00 0.00 O ATOM 204 CB SER A 15 1.470 15.255 -0.956 1.00 0.00 C ATOM 205 OG SER A 15 2.885 15.281 -1.027 1.00 0.00 O ATOM 0 H SER A 15 -0.779 13.146 -0.529 1.00 0.00 H new ATOM 0 HA SER A 15 0.183 14.125 -2.265 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.059 16.081 -1.537 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.152 15.401 0.076 1.00 0.00 H new ATOM 0 HG SER A 15 3.214 16.139 -0.686 1.00 0.00 H new ATOM 211 N ILE A 16 2.258 11.896 -1.577 1.00 0.00 N ATOM 212 CA ILE A 16 3.315 11.026 -2.069 1.00 0.00 C ATOM 213 C ILE A 16 3.064 10.546 -3.491 1.00 0.00 C ATOM 214 O ILE A 16 1.931 10.528 -3.972 1.00 0.00 O ATOM 215 CB ILE A 16 3.478 9.791 -1.172 1.00 0.00 C ATOM 216 CG1 ILE A 16 4.797 9.858 -0.425 1.00 0.00 C ATOM 217 CG2 ILE A 16 3.405 8.517 -1.997 1.00 0.00 C ATOM 218 CD1 ILE A 16 5.437 8.501 -0.243 1.00 0.00 C ATOM 0 H ILE A 16 1.707 11.500 -0.815 1.00 0.00 H new ATOM 0 HA ILE A 16 4.223 11.629 -2.055 1.00 0.00 H new ATOM 0 HB ILE A 16 2.663 9.779 -0.448 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.483 10.509 -0.967 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.633 10.311 0.553 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.523 7.653 -1.343 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.439 8.463 -2.499 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.201 8.520 -2.742 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.377 8.612 0.298 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.766 7.855 0.324 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.630 8.056 -1.219 1.00 0.00 H new ATOM 230 N SER A 17 4.145 10.131 -4.142 1.00 0.00 N ATOM 231 CA SER A 17 4.087 9.612 -5.499 1.00 0.00 C ATOM 232 C SER A 17 4.732 8.231 -5.552 1.00 0.00 C ATOM 233 O SER A 17 5.071 7.659 -4.517 1.00 0.00 O ATOM 234 CB SER A 17 4.793 10.561 -6.465 1.00 0.00 C ATOM 235 OG SER A 17 3.950 10.908 -7.550 1.00 0.00 O ATOM 0 H SER A 17 5.084 10.146 -3.743 1.00 0.00 H new ATOM 0 HA SER A 17 3.042 9.530 -5.799 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.098 11.463 -5.935 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.701 10.091 -6.842 1.00 0.00 H new ATOM 0 HG SER A 17 4.426 11.517 -8.152 1.00 0.00 H new ATOM 241 N ARG A 18 4.909 7.703 -6.755 1.00 0.00 N ATOM 242 CA ARG A 18 5.523 6.391 -6.923 1.00 0.00 C ATOM 243 C ARG A 18 7.031 6.457 -6.684 1.00 0.00 C ATOM 244 O ARG A 18 7.632 5.508 -6.182 1.00 0.00 O ATOM 245 CB ARG A 18 5.239 5.847 -8.324 1.00 0.00 C ATOM 246 CG ARG A 18 6.493 5.557 -9.133 1.00 0.00 C ATOM 247 CD ARG A 18 6.259 4.450 -10.147 1.00 0.00 C ATOM 248 NE ARG A 18 5.878 4.976 -11.454 1.00 0.00 N ATOM 249 CZ ARG A 18 5.380 4.227 -12.433 1.00 0.00 C ATOM 250 NH1 ARG A 18 5.205 2.925 -12.250 1.00 0.00 N ATOM 251 NH2 ARG A 18 5.056 4.778 -13.594 1.00 0.00 N ATOM 0 H ARG A 18 4.638 8.159 -7.626 1.00 0.00 H new ATOM 0 HA ARG A 18 5.087 5.718 -6.184 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.654 4.932 -8.237 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.626 6.567 -8.866 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.812 6.463 -9.649 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.302 5.271 -8.461 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.165 3.853 -10.247 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.477 3.784 -9.782 1.00 0.00 H new ATOM 0 HE ARG A 18 6.001 5.974 -11.626 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.453 2.498 -11.358 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.823 2.351 -13.002 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.189 5.779 -13.738 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.674 4.201 -14.343 1.00 0.00 H new ATOM 265 N ASP A 19 7.638 7.577 -7.064 1.00 0.00 N ATOM 266 CA ASP A 19 9.079 7.762 -6.909 1.00 0.00 C ATOM 267 C ASP A 19 9.481 7.991 -5.451 1.00 0.00 C ATOM 268 O ASP A 19 10.448 7.401 -4.970 1.00 0.00 O ATOM 269 CB ASP A 19 9.551 8.938 -7.766 1.00 0.00 C ATOM 270 CG ASP A 19 9.108 8.816 -9.210 1.00 0.00 C ATOM 271 OD1 ASP A 19 8.607 7.736 -9.589 1.00 0.00 O ATOM 272 OD2 ASP A 19 9.260 9.801 -9.963 1.00 0.00 O ATOM 0 H ASP A 19 7.155 8.372 -7.482 1.00 0.00 H new ATOM 0 HA ASP A 19 9.561 6.843 -7.242 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.164 9.867 -7.348 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.639 8.999 -7.727 1.00 0.00 H new ATOM 277 N LYS A 20 8.754 8.863 -4.759 1.00 0.00 N ATOM 278 CA LYS A 20 9.064 9.177 -3.366 1.00 0.00 C ATOM 279 C LYS A 20 8.940 7.951 -2.467 1.00 0.00 C ATOM 280 O LYS A 20 9.856 7.636 -1.700 1.00 0.00 O ATOM 281 CB LYS A 20 8.147 10.287 -2.854 1.00 0.00 C ATOM 282 CG LYS A 20 8.066 11.485 -3.784 1.00 0.00 C ATOM 283 CD LYS A 20 6.808 11.441 -4.633 1.00 0.00 C ATOM 284 CE LYS A 20 5.761 12.425 -4.131 1.00 0.00 C ATOM 285 NZ LYS A 20 6.361 13.491 -3.282 1.00 0.00 N ATOM 0 H LYS A 20 7.949 9.363 -5.137 1.00 0.00 H new ATOM 0 HA LYS A 20 10.100 9.516 -3.333 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.146 9.882 -2.709 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.501 10.618 -1.878 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.080 12.404 -3.198 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.943 11.506 -4.431 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.058 11.672 -5.668 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.395 10.432 -4.622 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.254 12.881 -4.982 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.004 11.889 -3.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.669 14.255 -3.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.626 13.092 -2.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.208 13.872 -3.750 1.00 0.00 H new ATOM 299 N ALA A 21 7.805 7.263 -2.550 1.00 0.00 N ATOM 300 CA ALA A 21 7.597 6.086 -1.723 1.00 0.00 C ATOM 301 C ALA A 21 8.763 5.110 -1.880 1.00 0.00 C ATOM 302 O ALA A 21 9.141 4.412 -0.937 1.00 0.00 O ATOM 303 CB ALA A 21 6.263 5.421 -2.028 1.00 0.00 C ATOM 0 H ALA A 21 7.030 7.497 -3.171 1.00 0.00 H new ATOM 0 HA ALA A 21 7.562 6.404 -0.681 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.140 4.544 -1.392 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.453 6.125 -1.836 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.239 5.116 -3.074 1.00 0.00 H new ATOM 309 N GLU A 22 9.370 5.093 -3.060 1.00 0.00 N ATOM 310 CA GLU A 22 10.523 4.237 -3.288 1.00 0.00 C ATOM 311 C GLU A 22 11.675 4.755 -2.439 1.00 0.00 C ATOM 312 O GLU A 22 12.299 4.010 -1.670 1.00 0.00 O ATOM 313 CB GLU A 22 10.914 4.235 -4.768 1.00 0.00 C ATOM 314 CG GLU A 22 9.857 3.634 -5.678 1.00 0.00 C ATOM 315 CD GLU A 22 9.716 4.388 -6.986 1.00 0.00 C ATOM 316 OE1 GLU A 22 10.607 5.205 -7.299 1.00 0.00 O ATOM 317 OE2 GLU A 22 8.716 4.159 -7.698 1.00 0.00 O ATOM 0 H GLU A 22 9.087 5.655 -3.863 1.00 0.00 H new ATOM 0 HA GLU A 22 10.281 3.212 -3.009 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.113 5.259 -5.084 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.843 3.678 -4.888 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.111 2.595 -5.888 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.898 3.629 -5.161 1.00 0.00 H new ATOM 324 N LYS A 23 11.920 6.059 -2.566 1.00 0.00 N ATOM 325 CA LYS A 23 12.961 6.729 -1.805 1.00 0.00 C ATOM 326 C LYS A 23 12.707 6.550 -0.319 1.00 0.00 C ATOM 327 O LYS A 23 13.607 6.183 0.437 1.00 0.00 O ATOM 328 CB LYS A 23 12.997 8.219 -2.151 1.00 0.00 C ATOM 329 CG LYS A 23 12.171 9.083 -1.208 1.00 0.00 C ATOM 330 CD LYS A 23 12.981 9.511 0.004 1.00 0.00 C ATOM 331 CE LYS A 23 12.108 10.201 1.041 1.00 0.00 C ATOM 332 NZ LYS A 23 11.726 11.578 0.619 1.00 0.00 N ATOM 0 H LYS A 23 11.403 6.673 -3.196 1.00 0.00 H new ATOM 0 HA LYS A 23 13.924 6.287 -2.061 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.031 8.563 -2.133 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.633 8.356 -3.169 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.814 9.965 -1.739 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.290 8.529 -0.882 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.458 8.639 0.451 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.778 10.185 -0.309 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.208 9.610 1.209 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.641 10.247 1.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.132 12.014 1.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.584 12.150 0.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.195 11.533 -0.274 1.00 0.00 H new ATOM 346 N LEU A 24 11.464 6.789 0.095 1.00 0.00 N ATOM 347 CA LEU A 24 11.100 6.623 1.493 1.00 0.00 C ATOM 348 C LEU A 24 11.079 5.139 1.826 1.00 0.00 C ATOM 349 O LEU A 24 11.445 4.732 2.929 1.00 0.00 O ATOM 350 CB LEU A 24 9.744 7.276 1.795 1.00 0.00 C ATOM 351 CG LEU A 24 8.586 6.304 2.008 1.00 0.00 C ATOM 352 CD1 LEU A 24 8.410 5.438 0.778 1.00 0.00 C ATOM 353 CD2 LEU A 24 8.826 5.448 3.241 1.00 0.00 C ATOM 0 H LEU A 24 10.703 7.094 -0.512 1.00 0.00 H new ATOM 0 HA LEU A 24 11.841 7.122 2.118 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.847 7.894 2.687 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.490 7.944 0.972 1.00 0.00 H new ATOM 0 HG LEU A 24 7.671 6.874 2.169 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.582 4.746 0.935 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.196 6.070 -0.084 1.00 0.00 H new ATOM 0 HD13 LEU A 24 9.325 4.874 0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.990 4.762 3.376 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.746 4.878 3.115 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.914 6.090 4.118 1.00 0.00 H new ATOM 365 N LEU A 25 10.671 4.330 0.848 1.00 0.00 N ATOM 366 CA LEU A 25 10.630 2.886 1.021 1.00 0.00 C ATOM 367 C LEU A 25 12.023 2.351 1.311 1.00 0.00 C ATOM 368 O LEU A 25 12.255 1.705 2.333 1.00 0.00 O ATOM 369 CB LEU A 25 10.085 2.209 -0.235 1.00 0.00 C ATOM 370 CG LEU A 25 8.599 1.865 -0.184 1.00 0.00 C ATOM 371 CD1 LEU A 25 8.149 1.223 -1.488 1.00 0.00 C ATOM 372 CD2 LEU A 25 8.320 0.948 0.994 1.00 0.00 C ATOM 0 H LEU A 25 10.365 4.654 -0.070 1.00 0.00 H new ATOM 0 HA LEU A 25 9.972 2.665 1.861 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.263 2.862 -1.089 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.650 1.293 -0.411 1.00 0.00 H new ATOM 0 HG LEU A 25 8.031 2.786 -0.052 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.087 0.986 -1.429 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.322 1.915 -2.313 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.716 0.308 -1.658 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.257 0.707 1.024 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.897 0.030 0.885 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.605 1.448 1.920 1.00 0.00 H new ATOM 384 N LEU A 26 12.949 2.627 0.398 1.00 0.00 N ATOM 385 CA LEU A 26 14.325 2.174 0.553 1.00 0.00 C ATOM 386 C LEU A 26 14.881 2.582 1.915 1.00 0.00 C ATOM 387 O LEU A 26 15.871 2.023 2.387 1.00 0.00 O ATOM 388 CB LEU A 26 15.202 2.758 -0.554 1.00 0.00 C ATOM 389 CG LEU A 26 15.106 2.047 -1.905 1.00 0.00 C ATOM 390 CD1 LEU A 26 13.675 2.065 -2.418 1.00 0.00 C ATOM 391 CD2 LEU A 26 16.043 2.693 -2.914 1.00 0.00 C ATOM 0 H LEU A 26 12.772 3.160 -0.453 1.00 0.00 H new ATOM 0 HA LEU A 26 14.332 1.086 0.483 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.934 3.805 -0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.240 2.736 -0.223 1.00 0.00 H new ATOM 0 HG LEU A 26 15.408 1.009 -1.769 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.627 1.555 -3.380 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.026 1.557 -1.705 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.344 3.097 -2.538 1.00 0.00 H new ATOM 0 HD21 LEU A 26 15.962 2.175 -3.869 1.00 0.00 H new ATOM 0 HD22 LEU A 26 15.771 3.740 -3.045 1.00 0.00 H new ATOM 0 HD23 LEU A 26 17.069 2.628 -2.552 1.00 0.00 H new ATOM 403 N ASP A 27 14.245 3.573 2.530 1.00 0.00 N ATOM 404 CA ASP A 27 14.679 4.080 3.828 1.00 0.00 C ATOM 405 C ASP A 27 14.499 3.047 4.940 1.00 0.00 C ATOM 406 O ASP A 27 15.326 2.957 5.847 1.00 0.00 O ATOM 407 CB ASP A 27 13.910 5.354 4.179 1.00 0.00 C ATOM 408 CG ASP A 27 14.110 6.451 3.152 1.00 0.00 C ATOM 409 OD1 ASP A 27 14.890 6.238 2.200 1.00 0.00 O ATOM 410 OD2 ASP A 27 13.487 7.524 3.300 1.00 0.00 O ATOM 0 H ASP A 27 13.424 4.043 2.149 1.00 0.00 H new ATOM 0 HA ASP A 27 15.744 4.300 3.749 1.00 0.00 H new ATOM 0 HB2 ASP A 27 12.848 5.124 4.258 1.00 0.00 H new ATOM 0 HB3 ASP A 27 14.232 5.712 5.157 1.00 0.00 H new ATOM 415 N THR A 28 13.414 2.279 4.882 1.00 0.00 N ATOM 416 CA THR A 28 13.148 1.275 5.908 1.00 0.00 C ATOM 417 C THR A 28 13.808 -0.057 5.567 1.00 0.00 C ATOM 418 O THR A 28 14.604 -0.579 6.347 1.00 0.00 O ATOM 419 CB THR A 28 11.644 1.094 6.078 1.00 0.00 C ATOM 420 OG1 THR A 28 11.091 0.407 4.969 1.00 0.00 O ATOM 421 CG2 THR A 28 10.900 2.403 6.224 1.00 0.00 C ATOM 0 H THR A 28 12.712 2.331 4.144 1.00 0.00 H new ATOM 0 HA THR A 28 13.576 1.626 6.847 1.00 0.00 H new ATOM 0 HB THR A 28 11.524 0.519 6.996 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.112 0.988 4.180 1.00 0.00 H new ATOM 0 HG21 THR A 28 9.835 2.205 6.341 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.269 2.935 7.101 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.060 3.013 5.335 1.00 0.00 H new ATOM 429 N GLY A 29 13.510 -0.587 4.384 1.00 0.00 N ATOM 430 CA GLY A 29 14.125 -1.833 3.963 1.00 0.00 C ATOM 431 C GLY A 29 13.425 -3.099 4.446 1.00 0.00 C ATOM 432 O GLY A 29 14.016 -4.177 4.399 1.00 0.00 O ATOM 0 H GLY A 29 12.858 -0.179 3.714 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.163 -1.851 2.874 1.00 0.00 H new ATOM 0 HA3 GLY A 29 15.155 -1.849 4.318 1.00 0.00 H new ATOM 436 N LYS A 30 12.174 -2.998 4.897 1.00 0.00 N ATOM 437 CA LYS A 30 11.455 -4.190 5.356 1.00 0.00 C ATOM 438 C LYS A 30 10.858 -4.942 4.177 1.00 0.00 C ATOM 439 O LYS A 30 10.051 -4.398 3.424 1.00 0.00 O ATOM 440 CB LYS A 30 10.340 -3.846 6.342 1.00 0.00 C ATOM 441 CG LYS A 30 10.732 -2.822 7.387 1.00 0.00 C ATOM 442 CD LYS A 30 10.684 -1.420 6.823 1.00 0.00 C ATOM 443 CE LYS A 30 9.608 -1.295 5.762 1.00 0.00 C ATOM 444 NZ LYS A 30 9.013 0.066 5.743 1.00 0.00 N ATOM 0 H LYS A 30 11.647 -2.127 4.955 1.00 0.00 H new ATOM 0 HA LYS A 30 12.185 -4.818 5.868 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.481 -3.471 5.786 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.020 -4.759 6.845 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.060 -2.896 8.242 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.737 -3.036 7.751 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.492 -0.708 7.626 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.653 -1.164 6.395 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.033 -1.520 4.784 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.826 -2.032 5.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.065 0.024 5.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.941 0.427 6.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.616 0.701 5.182 1.00 0.00 H new ATOM 458 N GLU A 31 11.264 -6.194 4.020 1.00 0.00 N ATOM 459 CA GLU A 31 10.775 -7.018 2.926 1.00 0.00 C ATOM 460 C GLU A 31 9.316 -6.696 2.648 1.00 0.00 C ATOM 461 O GLU A 31 8.434 -7.005 3.448 1.00 0.00 O ATOM 462 CB GLU A 31 10.928 -8.502 3.266 1.00 0.00 C ATOM 463 CG GLU A 31 11.905 -9.236 2.361 1.00 0.00 C ATOM 464 CD GLU A 31 13.311 -9.272 2.926 1.00 0.00 C ATOM 465 OE1 GLU A 31 13.539 -8.656 3.989 1.00 0.00 O ATOM 466 OE2 GLU A 31 14.183 -9.915 2.307 1.00 0.00 O ATOM 0 H GLU A 31 11.930 -6.660 4.636 1.00 0.00 H new ATOM 0 HA GLU A 31 11.365 -6.803 2.035 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.261 -8.597 4.299 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.952 -8.984 3.200 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.554 -10.256 2.206 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.923 -8.753 1.384 1.00 0.00 H new ATOM 473 N GLY A 32 9.076 -6.053 1.515 1.00 0.00 N ATOM 474 CA GLY A 32 7.733 -5.674 1.152 1.00 0.00 C ATOM 475 C GLY A 32 7.256 -4.472 1.940 1.00 0.00 C ATOM 476 O GLY A 32 6.075 -4.375 2.274 1.00 0.00 O ATOM 0 H GLY A 32 9.793 -5.787 0.840 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.694 -5.449 0.086 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.059 -6.513 1.325 1.00 0.00 H new ATOM 480 N ALA A 33 8.171 -3.545 2.236 1.00 0.00 N ATOM 481 CA ALA A 33 7.799 -2.348 2.987 1.00 0.00 C ATOM 482 C ALA A 33 6.503 -1.779 2.424 1.00 0.00 C ATOM 483 O ALA A 33 6.408 -1.521 1.225 1.00 0.00 O ATOM 484 CB ALA A 33 8.906 -1.311 2.925 1.00 0.00 C ATOM 0 H ALA A 33 9.155 -3.599 1.973 1.00 0.00 H new ATOM 0 HA ALA A 33 7.649 -2.617 4.033 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.609 -0.428 3.490 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.818 -1.726 3.353 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.087 -1.033 1.887 1.00 0.00 H new ATOM 490 N PHE A 34 5.495 -1.610 3.272 1.00 0.00 N ATOM 491 CA PHE A 34 4.205 -1.106 2.811 1.00 0.00 C ATOM 492 C PHE A 34 3.997 0.375 3.089 1.00 0.00 C ATOM 493 O PHE A 34 4.329 0.873 4.156 1.00 0.00 O ATOM 494 CB PHE A 34 3.061 -1.878 3.457 1.00 0.00 C ATOM 495 CG PHE A 34 1.750 -1.161 3.326 1.00 0.00 C ATOM 496 CD1 PHE A 34 1.240 -0.877 2.076 1.00 0.00 C ATOM 497 CD2 PHE A 34 1.033 -0.759 4.438 1.00 0.00 C ATOM 498 CE1 PHE A 34 0.047 -0.206 1.935 1.00 0.00 C ATOM 499 CE2 PHE A 34 -0.152 -0.092 4.302 1.00 0.00 C ATOM 500 CZ PHE A 34 -0.651 0.191 3.053 1.00 0.00 C ATOM 0 H PHE A 34 5.543 -1.811 4.271 1.00 0.00 H new ATOM 0 HA PHE A 34 4.209 -1.249 1.730 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.983 -2.862 2.996 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.282 -2.037 4.512 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.785 -1.186 1.196 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.414 -0.975 5.425 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.341 0.009 0.950 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.700 0.215 5.181 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.586 0.722 2.949 1.00 0.00 H new ATOM 510 N MET A 35 3.405 1.059 2.117 1.00 0.00 N ATOM 511 CA MET A 35 3.093 2.479 2.239 1.00 0.00 C ATOM 512 C MET A 35 1.859 2.804 1.403 1.00 0.00 C ATOM 513 O MET A 35 1.457 2.003 0.561 1.00 0.00 O ATOM 514 CB MET A 35 4.279 3.329 1.786 1.00 0.00 C ATOM 515 CG MET A 35 3.912 4.754 1.410 1.00 0.00 C ATOM 516 SD MET A 35 5.352 5.826 1.330 1.00 0.00 S ATOM 517 CE MET A 35 6.141 5.423 2.888 1.00 0.00 C ATOM 0 H MET A 35 3.129 0.648 1.226 1.00 0.00 H new ATOM 0 HA MET A 35 2.889 2.709 3.285 1.00 0.00 H new ATOM 0 HB2 MET A 35 5.020 3.355 2.585 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.751 2.848 0.929 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.406 4.755 0.444 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.206 5.150 2.140 1.00 0.00 H new ATOM 0 HE1 MET A 35 6.801 6.238 3.183 1.00 0.00 H new ATOM 0 HE2 MET A 35 5.380 5.277 3.654 1.00 0.00 H new ATOM 0 HE3 MET A 35 6.722 4.508 2.775 1.00 0.00 H new ATOM 527 N VAL A 36 1.251 3.965 1.626 1.00 0.00 N ATOM 528 CA VAL A 36 0.067 4.344 0.859 1.00 0.00 C ATOM 529 C VAL A 36 0.099 5.811 0.467 1.00 0.00 C ATOM 530 O VAL A 36 0.674 6.641 1.170 1.00 0.00 O ATOM 531 CB VAL A 36 -1.240 4.065 1.620 1.00 0.00 C ATOM 532 CG1 VAL A 36 -2.443 4.482 0.788 1.00 0.00 C ATOM 533 CG2 VAL A 36 -1.326 2.596 1.993 1.00 0.00 C ATOM 0 H VAL A 36 1.551 4.650 2.319 1.00 0.00 H new ATOM 0 HA VAL A 36 0.088 3.726 -0.038 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.243 4.655 2.537 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.358 4.277 1.343 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.382 5.548 0.570 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.452 3.920 -0.146 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.256 2.411 2.531 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.304 1.989 1.088 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.480 2.332 2.628 1.00 0.00 H new ATOM 543 N ARG A 37 -0.518 6.123 -0.664 1.00 0.00 N ATOM 544 CA ARG A 37 -0.558 7.491 -1.152 1.00 0.00 C ATOM 545 C ARG A 37 -1.836 7.751 -1.944 1.00 0.00 C ATOM 546 O ARG A 37 -2.183 6.994 -2.851 1.00 0.00 O ATOM 547 CB ARG A 37 0.683 7.768 -2.003 1.00 0.00 C ATOM 548 CG ARG A 37 0.401 7.914 -3.487 1.00 0.00 C ATOM 549 CD ARG A 37 1.408 7.130 -4.309 1.00 0.00 C ATOM 550 NE ARG A 37 1.436 7.561 -5.703 1.00 0.00 N ATOM 551 CZ ARG A 37 2.183 6.984 -6.637 1.00 0.00 C ATOM 552 NH1 ARG A 37 2.959 5.954 -6.325 1.00 0.00 N ATOM 553 NH2 ARG A 37 2.154 7.432 -7.885 1.00 0.00 N ATOM 0 H ARG A 37 -0.997 5.447 -1.259 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.559 8.171 -0.300 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.160 8.680 -1.644 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.397 6.957 -1.859 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.607 7.561 -3.706 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.438 8.967 -3.767 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.400 7.248 -3.874 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.164 6.069 -4.263 1.00 0.00 H new ATOM 0 HE ARG A 37 0.849 8.350 -5.975 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.982 5.605 -5.367 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.532 5.511 -7.043 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.557 8.222 -8.130 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.729 6.987 -8.600 1.00 0.00 H new ATOM 567 N ASP A 38 -2.539 8.821 -1.585 1.00 0.00 N ATOM 568 CA ASP A 38 -3.785 9.178 -2.254 1.00 0.00 C ATOM 569 C ASP A 38 -3.552 9.489 -3.728 1.00 0.00 C ATOM 570 O ASP A 38 -2.495 9.994 -4.108 1.00 0.00 O ATOM 571 CB ASP A 38 -4.428 10.383 -1.563 1.00 0.00 C ATOM 572 CG ASP A 38 -5.615 10.926 -2.336 1.00 0.00 C ATOM 573 OD1 ASP A 38 -5.439 11.284 -3.520 1.00 0.00 O ATOM 574 OD2 ASP A 38 -6.719 10.995 -1.757 1.00 0.00 O ATOM 0 H ASP A 38 -2.267 9.456 -0.834 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.458 8.323 -2.189 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.750 10.096 -0.562 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.684 11.171 -1.444 1.00 0.00 H new ATOM 579 N SER A 39 -4.549 9.186 -4.553 1.00 0.00 N ATOM 580 CA SER A 39 -4.460 9.434 -5.986 1.00 0.00 C ATOM 581 C SER A 39 -5.366 10.593 -6.390 1.00 0.00 C ATOM 582 O SER A 39 -5.135 11.738 -6.000 1.00 0.00 O ATOM 583 CB SER A 39 -4.841 8.175 -6.767 1.00 0.00 C ATOM 584 OG SER A 39 -5.315 8.502 -8.063 1.00 0.00 O ATOM 0 H SER A 39 -5.429 8.768 -4.252 1.00 0.00 H new ATOM 0 HA SER A 39 -3.430 9.700 -6.223 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.975 7.518 -6.848 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.609 7.625 -6.224 1.00 0.00 H new ATOM 0 HG SER A 39 -5.399 7.684 -8.597 1.00 0.00 H new ATOM 590 N ARG A 40 -6.398 10.292 -7.173 1.00 0.00 N ATOM 591 CA ARG A 40 -7.336 11.313 -7.624 1.00 0.00 C ATOM 592 C ARG A 40 -8.299 10.756 -8.670 1.00 0.00 C ATOM 593 O ARG A 40 -8.848 11.503 -9.480 1.00 0.00 O ATOM 594 CB ARG A 40 -6.580 12.511 -8.200 1.00 0.00 C ATOM 595 CG ARG A 40 -6.306 12.398 -9.691 1.00 0.00 C ATOM 596 CD ARG A 40 -5.512 11.144 -10.019 1.00 0.00 C ATOM 597 NE ARG A 40 -4.892 11.220 -11.338 1.00 0.00 N ATOM 598 CZ ARG A 40 -3.998 12.143 -11.681 1.00 0.00 C ATOM 599 NH1 ARG A 40 -3.623 13.063 -10.803 1.00 0.00 N ATOM 600 NH2 ARG A 40 -3.478 12.146 -12.901 1.00 0.00 N ATOM 0 H ARG A 40 -6.605 9.351 -7.507 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.918 11.636 -6.761 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.156 13.417 -8.013 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.633 12.620 -7.672 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.250 12.385 -10.235 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.756 13.277 -10.028 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.740 10.995 -9.264 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.171 10.276 -9.977 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.159 10.526 -12.036 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.020 13.063 -9.864 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.937 13.770 -11.067 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.764 11.439 -13.579 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.793 12.855 -13.161 1.00 0.00 H new ATOM 614 N THR A 41 -8.503 9.443 -8.649 1.00 0.00 N ATOM 615 CA THR A 41 -9.399 8.794 -9.596 1.00 0.00 C ATOM 616 C THR A 41 -10.813 8.663 -9.000 1.00 0.00 C ATOM 617 O THR A 41 -11.515 9.668 -8.884 1.00 0.00 O ATOM 618 CB THR A 41 -8.810 7.449 -10.016 1.00 0.00 C ATOM 619 OG1 THR A 41 -9.738 6.701 -10.781 1.00 0.00 O ATOM 620 CG2 THR A 41 -8.357 6.602 -8.845 1.00 0.00 C ATOM 0 H THR A 41 -8.059 8.808 -7.986 1.00 0.00 H new ATOM 0 HA THR A 41 -9.496 9.406 -10.493 1.00 0.00 H new ATOM 0 HB THR A 41 -7.934 7.693 -10.616 1.00 0.00 H new ATOM 0 HG1 THR A 41 -9.484 5.755 -10.769 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.949 5.661 -9.213 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.589 7.136 -8.285 1.00 0.00 H new ATOM 0 HG23 THR A 41 -9.206 6.399 -8.193 1.00 0.00 H new ATOM 628 N PRO A 42 -11.271 7.454 -8.594 1.00 0.00 N ATOM 629 CA PRO A 42 -12.590 7.288 -8.013 1.00 0.00 C ATOM 630 C PRO A 42 -12.578 7.498 -6.503 1.00 0.00 C ATOM 631 O PRO A 42 -13.603 7.357 -5.836 1.00 0.00 O ATOM 632 CB PRO A 42 -12.926 5.842 -8.349 1.00 0.00 C ATOM 633 CG PRO A 42 -11.625 5.131 -8.422 1.00 0.00 C ATOM 634 CD PRO A 42 -10.563 6.168 -8.645 1.00 0.00 C ATOM 0 HA PRO A 42 -13.311 8.011 -8.395 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -13.569 5.403 -7.587 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -13.462 5.775 -9.296 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.436 4.579 -7.501 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.629 4.404 -9.234 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.790 6.112 -7.879 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.069 6.027 -9.607 1.00 0.00 H new ATOM 642 N GLY A 43 -11.407 7.837 -5.971 1.00 0.00 N ATOM 643 CA GLY A 43 -11.274 8.060 -4.545 1.00 0.00 C ATOM 644 C GLY A 43 -10.422 7.008 -3.871 1.00 0.00 C ATOM 645 O GLY A 43 -10.448 6.860 -2.649 1.00 0.00 O ATOM 0 H GLY A 43 -10.547 7.961 -6.505 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.835 9.043 -4.374 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.264 8.069 -4.088 1.00 0.00 H new ATOM 649 N THR A 44 -9.672 6.274 -4.676 1.00 0.00 N ATOM 650 CA THR A 44 -8.803 5.220 -4.172 1.00 0.00 C ATOM 651 C THR A 44 -7.518 5.784 -3.586 1.00 0.00 C ATOM 652 O THR A 44 -7.227 6.974 -3.713 1.00 0.00 O ATOM 653 CB THR A 44 -8.446 4.261 -5.301 1.00 0.00 C ATOM 654 OG1 THR A 44 -7.083 3.879 -5.223 1.00 0.00 O ATOM 655 CG2 THR A 44 -8.679 4.852 -6.672 1.00 0.00 C ATOM 0 H THR A 44 -9.647 6.389 -5.689 1.00 0.00 H new ATOM 0 HA THR A 44 -9.345 4.697 -3.384 1.00 0.00 H new ATOM 0 HB THR A 44 -9.103 3.400 -5.173 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.515 4.666 -5.359 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.407 4.122 -7.434 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.731 5.115 -6.781 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.067 5.746 -6.791 1.00 0.00 H new ATOM 663 N TYR A 45 -6.743 4.905 -2.967 1.00 0.00 N ATOM 664 CA TYR A 45 -5.469 5.282 -2.379 1.00 0.00 C ATOM 665 C TYR A 45 -4.345 4.453 -2.984 1.00 0.00 C ATOM 666 O TYR A 45 -4.580 3.375 -3.533 1.00 0.00 O ATOM 667 CB TYR A 45 -5.495 5.088 -0.867 1.00 0.00 C ATOM 668 CG TYR A 45 -6.610 5.835 -0.186 1.00 0.00 C ATOM 669 CD1 TYR A 45 -7.928 5.464 -0.384 1.00 0.00 C ATOM 670 CD2 TYR A 45 -6.345 6.910 0.650 1.00 0.00 C ATOM 671 CE1 TYR A 45 -8.960 6.138 0.235 1.00 0.00 C ATOM 672 CE2 TYR A 45 -7.371 7.593 1.276 1.00 0.00 C ATOM 673 CZ TYR A 45 -8.678 7.203 1.064 1.00 0.00 C ATOM 674 OH TYR A 45 -9.703 7.880 1.683 1.00 0.00 O ATOM 0 H TYR A 45 -6.978 3.918 -2.859 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.293 6.336 -2.594 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.592 4.025 -0.646 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.542 5.414 -0.450 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -8.153 4.632 -1.035 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.323 7.218 0.814 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.983 5.833 0.071 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.151 8.426 1.927 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.333 8.602 2.233 1.00 0.00 H new ATOM 684 N THR A 46 -3.123 4.953 -2.878 1.00 0.00 N ATOM 685 CA THR A 46 -1.971 4.244 -3.413 1.00 0.00 C ATOM 686 C THR A 46 -1.250 3.491 -2.300 1.00 0.00 C ATOM 687 O THR A 46 -1.223 3.948 -1.159 1.00 0.00 O ATOM 688 CB THR A 46 -1.009 5.214 -4.096 1.00 0.00 C ATOM 689 OG1 THR A 46 -1.723 6.211 -4.806 1.00 0.00 O ATOM 690 CG2 THR A 46 -0.078 4.532 -5.073 1.00 0.00 C ATOM 0 H THR A 46 -2.904 5.842 -2.429 1.00 0.00 H new ATOM 0 HA THR A 46 -2.325 3.528 -4.154 1.00 0.00 H new ATOM 0 HB THR A 46 -0.415 5.652 -3.294 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.246 6.750 -4.176 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.581 5.273 -5.526 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.520 3.788 -4.547 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.663 4.043 -5.852 1.00 0.00 H new ATOM 698 N VAL A 47 -0.665 2.341 -2.628 1.00 0.00 N ATOM 699 CA VAL A 47 0.051 1.549 -1.638 1.00 0.00 C ATOM 700 C VAL A 47 1.473 1.273 -2.085 1.00 0.00 C ATOM 701 O VAL A 47 1.705 0.535 -3.040 1.00 0.00 O ATOM 702 CB VAL A 47 -0.636 0.203 -1.354 1.00 0.00 C ATOM 703 CG1 VAL A 47 0.331 -0.740 -0.646 1.00 0.00 C ATOM 704 CG2 VAL A 47 -1.897 0.411 -0.533 1.00 0.00 C ATOM 0 H VAL A 47 -0.674 1.941 -3.566 1.00 0.00 H new ATOM 0 HA VAL A 47 0.052 2.143 -0.724 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.926 -0.252 -2.301 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.166 -1.690 -0.450 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.202 -0.910 -1.279 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.649 -0.295 0.297 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.370 -0.552 -0.342 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.640 0.884 0.415 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.587 1.051 -1.082 1.00 0.00 H new ATOM 714 N SER A 48 2.422 1.855 -1.377 1.00 0.00 N ATOM 715 CA SER A 48 3.823 1.660 -1.688 1.00 0.00 C ATOM 716 C SER A 48 4.339 0.403 -1.002 1.00 0.00 C ATOM 717 O SER A 48 4.384 0.332 0.230 1.00 0.00 O ATOM 718 CB SER A 48 4.650 2.870 -1.239 1.00 0.00 C ATOM 719 OG SER A 48 5.833 2.457 -0.576 1.00 0.00 O ATOM 0 H SER A 48 2.246 2.468 -0.581 1.00 0.00 H new ATOM 0 HA SER A 48 3.923 1.549 -2.768 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.908 3.481 -2.104 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.055 3.495 -0.574 1.00 0.00 H new ATOM 0 HG SER A 48 6.142 3.173 0.018 1.00 0.00 H new ATOM 725 N VAL A 49 4.732 -0.583 -1.803 1.00 0.00 N ATOM 726 CA VAL A 49 5.261 -1.828 -1.270 1.00 0.00 C ATOM 727 C VAL A 49 6.712 -1.995 -1.709 1.00 0.00 C ATOM 728 O VAL A 49 7.022 -2.009 -2.905 1.00 0.00 O ATOM 729 CB VAL A 49 4.420 -3.041 -1.700 1.00 0.00 C ATOM 730 CG1 VAL A 49 2.940 -2.769 -1.455 1.00 0.00 C ATOM 731 CG2 VAL A 49 4.678 -3.384 -3.155 1.00 0.00 C ATOM 0 H VAL A 49 4.693 -0.541 -2.821 1.00 0.00 H new ATOM 0 HA VAL A 49 5.214 -1.779 -0.182 1.00 0.00 H new ATOM 0 HB VAL A 49 4.714 -3.901 -1.098 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.355 -3.635 -1.764 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.776 -2.579 -0.394 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.630 -1.898 -2.032 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.073 -4.245 -3.439 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.414 -2.532 -3.782 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.733 -3.621 -3.291 1.00 0.00 H new ATOM 741 N PHE A 50 7.600 -2.056 -0.724 1.00 0.00 N ATOM 742 CA PHE A 50 9.034 -2.149 -0.972 1.00 0.00 C ATOM 743 C PHE A 50 9.588 -3.548 -0.680 1.00 0.00 C ATOM 744 O PHE A 50 9.368 -4.105 0.400 1.00 0.00 O ATOM 745 CB PHE A 50 9.710 -1.084 -0.109 1.00 0.00 C ATOM 746 CG PHE A 50 11.199 -1.165 -0.024 1.00 0.00 C ATOM 747 CD1 PHE A 50 11.807 -1.985 0.908 1.00 0.00 C ATOM 748 CD2 PHE A 50 11.991 -0.391 -0.854 1.00 0.00 C ATOM 749 CE1 PHE A 50 13.175 -2.031 1.005 1.00 0.00 C ATOM 750 CE2 PHE A 50 13.363 -0.439 -0.763 1.00 0.00 C ATOM 751 CZ PHE A 50 13.958 -1.260 0.168 1.00 0.00 C ATOM 0 H PHE A 50 7.348 -2.043 0.264 1.00 0.00 H new ATOM 0 HA PHE A 50 9.239 -1.975 -2.028 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.440 -0.102 -0.499 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.303 -1.149 0.900 1.00 0.00 H new ATOM 0 HD1 PHE A 50 11.202 -2.593 1.564 1.00 0.00 H new ATOM 0 HD2 PHE A 50 11.527 0.258 -1.582 1.00 0.00 H new ATOM 0 HE1 PHE A 50 13.641 -2.672 1.738 1.00 0.00 H new ATOM 0 HE2 PHE A 50 13.971 0.165 -1.420 1.00 0.00 H new ATOM 0 HZ PHE A 50 15.035 -1.301 0.244 1.00 0.00 H new ATOM 761 N THR A 51 10.296 -4.108 -1.673 1.00 0.00 N ATOM 762 CA THR A 51 10.881 -5.452 -1.572 1.00 0.00 C ATOM 763 C THR A 51 12.390 -5.432 -1.377 1.00 0.00 C ATOM 764 O THR A 51 13.103 -4.669 -2.029 1.00 0.00 O ATOM 765 CB THR A 51 10.601 -6.262 -2.835 1.00 0.00 C ATOM 766 OG1 THR A 51 9.211 -6.463 -3.022 1.00 0.00 O ATOM 767 CG2 THR A 51 11.275 -7.617 -2.824 1.00 0.00 C ATOM 0 H THR A 51 10.478 -3.644 -2.563 1.00 0.00 H new ATOM 0 HA THR A 51 10.414 -5.904 -0.697 1.00 0.00 H new ATOM 0 HB THR A 51 11.012 -5.672 -3.654 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.004 -6.448 -3.980 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.040 -8.148 -3.747 1.00 0.00 H new ATOM 0 HG22 THR A 51 12.354 -7.486 -2.745 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.917 -8.195 -1.972 1.00 0.00 H new ATOM 775 N LYS A 52 12.873 -6.316 -0.511 1.00 0.00 N ATOM 776 CA LYS A 52 14.300 -6.446 -0.271 1.00 0.00 C ATOM 777 C LYS A 52 14.909 -7.373 -1.305 1.00 0.00 C ATOM 778 O LYS A 52 14.193 -8.105 -1.991 1.00 0.00 O ATOM 779 CB LYS A 52 14.566 -6.988 1.128 1.00 0.00 C ATOM 780 CG LYS A 52 14.378 -5.948 2.204 1.00 0.00 C ATOM 781 CD LYS A 52 13.801 -4.666 1.631 1.00 0.00 C ATOM 782 CE LYS A 52 12.498 -4.314 2.314 1.00 0.00 C ATOM 783 NZ LYS A 52 11.324 -4.679 1.478 1.00 0.00 N ATOM 0 H LYS A 52 12.294 -6.953 0.036 1.00 0.00 H new ATOM 0 HA LYS A 52 14.756 -5.459 -0.351 1.00 0.00 H new ATOM 0 HB2 LYS A 52 13.898 -7.828 1.320 1.00 0.00 H new ATOM 0 HB3 LYS A 52 15.584 -7.373 1.176 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.714 -6.336 2.977 1.00 0.00 H new ATOM 0 HG3 LYS A 52 15.335 -5.738 2.682 1.00 0.00 H new ATOM 0 HD2 LYS A 52 14.515 -3.852 1.757 1.00 0.00 H new ATOM 0 HD3 LYS A 52 13.636 -4.782 0.560 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.438 -4.831 3.272 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.475 -3.245 2.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.464 -4.664 2.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.226 -3.996 0.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.460 -5.633 1.086 1.00 0.00 H new ATOM 797 N ALA A 53 16.222 -7.343 -1.424 1.00 0.00 N ATOM 798 CA ALA A 53 16.898 -8.186 -2.389 1.00 0.00 C ATOM 799 C ALA A 53 18.317 -7.684 -2.653 1.00 0.00 C ATOM 800 O ALA A 53 18.547 -6.877 -3.553 1.00 0.00 O ATOM 801 CB ALA A 53 16.076 -8.242 -3.669 1.00 0.00 C ATOM 0 H ALA A 53 16.838 -6.749 -0.869 1.00 0.00 H new ATOM 0 HA ALA A 53 16.988 -9.195 -1.987 1.00 0.00 H new ATOM 0 HB1 ALA A 53 16.581 -8.875 -4.398 1.00 0.00 H new ATOM 0 HB2 ALA A 53 15.091 -8.654 -3.451 1.00 0.00 H new ATOM 0 HB3 ALA A 53 15.967 -7.237 -4.076 1.00 0.00 H new ATOM 807 N ILE A 54 19.257 -8.167 -1.843 1.00 0.00 N ATOM 808 CA ILE A 54 20.662 -7.780 -1.953 1.00 0.00 C ATOM 809 C ILE A 54 21.009 -7.260 -3.343 1.00 0.00 C ATOM 810 O ILE A 54 20.375 -7.620 -4.335 1.00 0.00 O ATOM 811 CB ILE A 54 21.592 -8.960 -1.616 1.00 0.00 C ATOM 812 CG1 ILE A 54 21.293 -9.491 -0.213 1.00 0.00 C ATOM 813 CG2 ILE A 54 23.049 -8.535 -1.728 1.00 0.00 C ATOM 814 CD1 ILE A 54 22.003 -10.787 0.108 1.00 0.00 C ATOM 0 H ILE A 54 19.068 -8.834 -1.095 1.00 0.00 H new ATOM 0 HA ILE A 54 20.813 -6.976 -1.233 1.00 0.00 H new ATOM 0 HB ILE A 54 21.411 -9.761 -2.333 1.00 0.00 H new ATOM 0 HG12 ILE A 54 21.581 -8.738 0.520 1.00 0.00 H new ATOM 0 HG13 ILE A 54 20.218 -9.641 -0.112 1.00 0.00 H new ATOM 0 HG21 ILE A 54 23.694 -9.380 -1.487 1.00 0.00 H new ATOM 0 HG22 ILE A 54 23.253 -8.201 -2.745 1.00 0.00 H new ATOM 0 HG23 ILE A 54 23.245 -7.719 -1.032 1.00 0.00 H new ATOM 0 HD11 ILE A 54 21.744 -11.103 1.118 1.00 0.00 H new ATOM 0 HD12 ILE A 54 21.697 -11.555 -0.602 1.00 0.00 H new ATOM 0 HD13 ILE A 54 23.081 -10.638 0.040 1.00 0.00 H new ATOM 826 N ILE A 55 22.031 -6.408 -3.403 1.00 0.00 N ATOM 827 CA ILE A 55 22.482 -5.830 -4.663 1.00 0.00 C ATOM 828 C ILE A 55 22.418 -6.850 -5.793 1.00 0.00 C ATOM 829 O ILE A 55 22.151 -6.502 -6.943 1.00 0.00 O ATOM 830 CB ILE A 55 23.923 -5.297 -4.551 1.00 0.00 C ATOM 831 CG1 ILE A 55 24.714 -5.623 -5.820 1.00 0.00 C ATOM 832 CG2 ILE A 55 24.612 -5.882 -3.328 1.00 0.00 C ATOM 833 CD1 ILE A 55 25.025 -7.096 -5.975 1.00 0.00 C ATOM 0 H ILE A 55 22.563 -6.103 -2.588 1.00 0.00 H new ATOM 0 HA ILE A 55 21.810 -5.002 -4.888 1.00 0.00 H new ATOM 0 HB ILE A 55 23.883 -4.214 -4.439 1.00 0.00 H new ATOM 0 HG12 ILE A 55 24.148 -5.286 -6.688 1.00 0.00 H new ATOM 0 HG13 ILE A 55 25.648 -5.061 -5.811 1.00 0.00 H new ATOM 0 HG21 ILE A 55 25.629 -5.495 -3.264 1.00 0.00 H new ATOM 0 HG22 ILE A 55 24.060 -5.602 -2.431 1.00 0.00 H new ATOM 0 HG23 ILE A 55 24.642 -6.968 -3.412 1.00 0.00 H new ATOM 0 HD11 ILE A 55 25.587 -7.254 -6.895 1.00 0.00 H new ATOM 0 HD12 ILE A 55 25.618 -7.434 -5.125 1.00 0.00 H new ATOM 0 HD13 ILE A 55 24.094 -7.662 -6.016 1.00 0.00 H new ATOM 845 N SER A 56 22.663 -8.114 -5.460 1.00 0.00 N ATOM 846 CA SER A 56 22.629 -9.182 -6.449 1.00 0.00 C ATOM 847 C SER A 56 21.391 -9.060 -7.331 1.00 0.00 C ATOM 848 O SER A 56 21.307 -9.679 -8.391 1.00 0.00 O ATOM 849 CB SER A 56 22.646 -10.547 -5.759 1.00 0.00 C ATOM 850 OG SER A 56 23.190 -10.453 -4.455 1.00 0.00 O ATOM 0 H SER A 56 22.887 -8.422 -4.514 1.00 0.00 H new ATOM 0 HA SER A 56 23.515 -9.092 -7.078 1.00 0.00 H new ATOM 0 HB2 SER A 56 21.632 -10.943 -5.706 1.00 0.00 H new ATOM 0 HB3 SER A 56 23.232 -11.250 -6.351 1.00 0.00 H new ATOM 0 HG SER A 56 23.188 -11.338 -4.035 1.00 0.00 H new ATOM 856 N GLU A 57 20.430 -8.258 -6.881 1.00 0.00 N ATOM 857 CA GLU A 57 19.192 -8.050 -7.622 1.00 0.00 C ATOM 858 C GLU A 57 18.046 -8.815 -6.973 1.00 0.00 C ATOM 859 O GLU A 57 18.270 -9.764 -6.222 1.00 0.00 O ATOM 860 CB GLU A 57 19.359 -8.494 -9.077 1.00 0.00 C ATOM 861 CG GLU A 57 18.307 -7.921 -10.012 1.00 0.00 C ATOM 862 CD GLU A 57 18.649 -8.133 -11.474 1.00 0.00 C ATOM 863 OE1 GLU A 57 19.821 -8.442 -11.771 1.00 0.00 O ATOM 864 OE2 GLU A 57 17.743 -7.989 -12.322 1.00 0.00 O ATOM 0 H GLU A 57 20.486 -7.741 -6.004 1.00 0.00 H new ATOM 0 HA GLU A 57 18.958 -6.986 -7.603 1.00 0.00 H new ATOM 0 HB2 GLU A 57 20.347 -8.195 -9.428 1.00 0.00 H new ATOM 0 HB3 GLU A 57 19.320 -9.582 -9.123 1.00 0.00 H new ATOM 0 HG2 GLU A 57 17.344 -8.384 -9.797 1.00 0.00 H new ATOM 0 HG3 GLU A 57 18.197 -6.854 -9.819 1.00 0.00 H new ATOM 871 N ASN A 58 16.820 -8.399 -7.271 1.00 0.00 N ATOM 872 CA ASN A 58 15.637 -9.050 -6.719 1.00 0.00 C ATOM 873 C ASN A 58 14.795 -8.086 -5.882 1.00 0.00 C ATOM 874 O ASN A 58 13.663 -8.405 -5.520 1.00 0.00 O ATOM 875 CB ASN A 58 16.039 -10.257 -5.869 1.00 0.00 C ATOM 876 CG ASN A 58 14.843 -10.949 -5.246 1.00 0.00 C ATOM 877 OD1 ASN A 58 14.978 -11.695 -4.276 1.00 0.00 O ATOM 878 ND2 ASN A 58 13.662 -10.705 -5.802 1.00 0.00 N ATOM 0 H ASN A 58 16.619 -7.615 -7.891 1.00 0.00 H new ATOM 0 HA ASN A 58 15.030 -9.384 -7.560 1.00 0.00 H new ATOM 0 HB2 ASN A 58 16.585 -10.969 -6.488 1.00 0.00 H new ATOM 0 HB3 ASN A 58 16.719 -9.933 -5.081 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.821 -11.143 -5.426 1.00 0.00 H new ATOM 0 HD22 ASN A 58 13.596 -10.080 -6.605 1.00 0.00 H new ATOM 885 N PRO A 59 15.322 -6.888 -5.563 1.00 0.00 N ATOM 886 CA PRO A 59 14.585 -5.905 -4.775 1.00 0.00 C ATOM 887 C PRO A 59 13.599 -5.142 -5.640 1.00 0.00 C ATOM 888 O PRO A 59 13.954 -4.642 -6.707 1.00 0.00 O ATOM 889 CB PRO A 59 15.679 -4.992 -4.242 1.00 0.00 C ATOM 890 CG PRO A 59 16.761 -5.046 -5.269 1.00 0.00 C ATOM 891 CD PRO A 59 16.657 -6.391 -5.951 1.00 0.00 C ATOM 0 HA PRO A 59 13.986 -6.353 -3.982 1.00 0.00 H new ATOM 0 HB2 PRO A 59 15.313 -3.974 -4.107 1.00 0.00 H new ATOM 0 HB3 PRO A 59 16.039 -5.332 -3.271 1.00 0.00 H new ATOM 0 HG2 PRO A 59 16.648 -4.238 -5.991 1.00 0.00 H new ATOM 0 HG3 PRO A 59 17.740 -4.924 -4.805 1.00 0.00 H new ATOM 0 HD2 PRO A 59 16.749 -6.298 -7.033 1.00 0.00 H new ATOM 0 HD3 PRO A 59 17.446 -7.067 -5.621 1.00 0.00 H new ATOM 899 N CYS A 60 12.353 -5.086 -5.198 1.00 0.00 N ATOM 900 CA CYS A 60 11.319 -4.414 -5.972 1.00 0.00 C ATOM 901 C CYS A 60 10.441 -3.494 -5.134 1.00 0.00 C ATOM 902 O CYS A 60 10.044 -3.834 -4.019 1.00 0.00 O ATOM 903 CB CYS A 60 10.439 -5.455 -6.666 1.00 0.00 C ATOM 904 SG CYS A 60 9.668 -6.637 -5.536 1.00 0.00 S ATOM 0 H CYS A 60 12.034 -5.492 -4.318 1.00 0.00 H new ATOM 0 HA CYS A 60 11.832 -3.788 -6.702 1.00 0.00 H new ATOM 0 HB2 CYS A 60 9.658 -4.940 -7.226 1.00 0.00 H new ATOM 0 HB3 CYS A 60 11.043 -6.001 -7.390 1.00 0.00 H new ATOM 0 HG CYS A 60 8.942 -7.476 -6.214 1.00 0.00 H new ATOM 910 N ILE A 61 10.098 -2.348 -5.713 1.00 0.00 N ATOM 911 CA ILE A 61 9.212 -1.388 -5.068 1.00 0.00 C ATOM 912 C ILE A 61 7.930 -1.298 -5.869 1.00 0.00 C ATOM 913 O ILE A 61 7.914 -0.731 -6.962 1.00 0.00 O ATOM 914 CB ILE A 61 9.817 0.023 -4.978 1.00 0.00 C ATOM 915 CG1 ILE A 61 10.994 0.049 -4.002 1.00 0.00 C ATOM 916 CG2 ILE A 61 8.739 1.014 -4.551 1.00 0.00 C ATOM 917 CD1 ILE A 61 11.075 -1.175 -3.119 1.00 0.00 C ATOM 0 H ILE A 61 10.424 -2.061 -6.636 1.00 0.00 H new ATOM 0 HA ILE A 61 9.040 -1.742 -4.052 1.00 0.00 H new ATOM 0 HB ILE A 61 10.194 0.309 -5.960 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.922 0.141 -4.567 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.914 0.936 -3.373 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.168 2.014 -4.487 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.932 1.012 -5.284 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.345 0.726 -3.576 1.00 0.00 H new ATOM 0 HD11 ILE A 61 11.933 -1.087 -2.453 1.00 0.00 H new ATOM 0 HD12 ILE A 61 10.163 -1.258 -2.527 1.00 0.00 H new ATOM 0 HD13 ILE A 61 11.187 -2.064 -3.739 1.00 0.00 H new ATOM 929 N LYS A 62 6.859 -1.870 -5.348 1.00 0.00 N ATOM 930 CA LYS A 62 5.596 -1.849 -6.064 1.00 0.00 C ATOM 931 C LYS A 62 4.603 -0.902 -5.415 1.00 0.00 C ATOM 932 O LYS A 62 4.320 -0.994 -4.218 1.00 0.00 O ATOM 933 CB LYS A 62 5.004 -3.255 -6.151 1.00 0.00 C ATOM 934 CG LYS A 62 6.045 -4.348 -6.332 1.00 0.00 C ATOM 935 CD LYS A 62 5.666 -5.295 -7.459 1.00 0.00 C ATOM 936 CE LYS A 62 4.760 -6.414 -6.968 1.00 0.00 C ATOM 937 NZ LYS A 62 3.320 -6.108 -7.203 1.00 0.00 N ATOM 0 H LYS A 62 6.837 -2.347 -4.447 1.00 0.00 H new ATOM 0 HA LYS A 62 5.796 -1.486 -7.072 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.434 -3.456 -5.244 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.302 -3.293 -6.984 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.015 -3.897 -6.544 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.151 -4.909 -5.403 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.162 -4.738 -8.249 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.569 -5.722 -7.896 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.021 -7.342 -7.476 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.928 -6.576 -5.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.799 -6.993 -7.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.928 -5.623 -6.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.227 -5.494 -8.037 1.00 0.00 H new ATOM 951 N HIS A 63 4.063 0.003 -6.222 1.00 0.00 N ATOM 952 CA HIS A 63 3.084 0.952 -5.742 1.00 0.00 C ATOM 953 C HIS A 63 1.687 0.430 -6.066 1.00 0.00 C ATOM 954 O HIS A 63 1.254 0.466 -7.217 1.00 0.00 O ATOM 955 CB HIS A 63 3.307 2.315 -6.393 1.00 0.00 C ATOM 956 CG HIS A 63 4.716 2.805 -6.280 1.00 0.00 C ATOM 957 ND1 HIS A 63 5.311 3.161 -5.091 1.00 0.00 N ATOM 958 CD2 HIS A 63 5.659 2.988 -7.240 1.00 0.00 C ATOM 959 CE1 HIS A 63 6.568 3.542 -5.357 1.00 0.00 C ATOM 960 NE2 HIS A 63 6.829 3.456 -6.647 1.00 0.00 N ATOM 0 H HIS A 63 4.291 0.094 -7.212 1.00 0.00 H new ATOM 0 HA HIS A 63 3.186 1.070 -4.663 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.035 2.255 -7.447 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.639 3.043 -5.932 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.523 2.801 -8.295 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.275 3.876 -4.612 1.00 0.00 H new ATOM 0 HE2 HIS A 63 7.707 3.685 -7.114 1.00 0.00 H new ATOM 968 N TYR A 64 1.003 -0.085 -5.054 1.00 0.00 N ATOM 969 CA TYR A 64 -0.328 -0.650 -5.239 1.00 0.00 C ATOM 970 C TYR A 64 -1.427 0.347 -4.927 1.00 0.00 C ATOM 971 O TYR A 64 -1.577 0.778 -3.787 1.00 0.00 O ATOM 972 CB TYR A 64 -0.492 -1.872 -4.345 1.00 0.00 C ATOM 973 CG TYR A 64 0.665 -2.827 -4.434 1.00 0.00 C ATOM 974 CD1 TYR A 64 1.311 -3.038 -5.638 1.00 0.00 C ATOM 975 CD2 TYR A 64 1.103 -3.519 -3.318 1.00 0.00 C ATOM 976 CE1 TYR A 64 2.368 -3.917 -5.733 1.00 0.00 C ATOM 977 CE2 TYR A 64 2.160 -4.404 -3.401 1.00 0.00 C ATOM 978 CZ TYR A 64 2.789 -4.601 -4.612 1.00 0.00 C ATOM 979 OH TYR A 64 3.839 -5.483 -4.704 1.00 0.00 O ATOM 0 H TYR A 64 1.348 -0.124 -4.095 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.420 -0.927 -6.289 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -0.607 -1.546 -3.311 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.409 -2.395 -4.619 1.00 0.00 H new ATOM 0 HD1 TYR A 64 0.982 -2.505 -6.518 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.611 -3.365 -2.369 1.00 0.00 H new ATOM 0 HE1 TYR A 64 2.864 -4.069 -6.680 1.00 0.00 H new ATOM 0 HE2 TYR A 64 2.492 -4.938 -2.523 1.00 0.00 H new ATOM 0 HH TYR A 64 3.495 -6.400 -4.728 1.00 0.00 H new ATOM 989 N HIS A 65 -2.218 0.689 -5.933 1.00 0.00 N ATOM 990 CA HIS A 65 -3.316 1.611 -5.724 1.00 0.00 C ATOM 991 C HIS A 65 -4.574 0.858 -5.351 1.00 0.00 C ATOM 992 O HIS A 65 -5.052 0.013 -6.107 1.00 0.00 O ATOM 993 CB HIS A 65 -3.578 2.472 -6.954 1.00 0.00 C ATOM 994 CG HIS A 65 -4.240 3.759 -6.606 1.00 0.00 C ATOM 995 ND1 HIS A 65 -3.680 4.711 -5.791 1.00 0.00 N ATOM 996 CD2 HIS A 65 -5.460 4.227 -6.948 1.00 0.00 C ATOM 997 CE1 HIS A 65 -4.562 5.705 -5.660 1.00 0.00 C ATOM 998 NE2 HIS A 65 -5.661 5.464 -6.347 1.00 0.00 N ATOM 0 H HIS A 65 -2.120 0.346 -6.888 1.00 0.00 H new ATOM 0 HA HIS A 65 -3.031 2.272 -4.906 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.635 2.675 -7.461 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.204 1.921 -7.655 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -2.756 4.667 -5.362 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -6.168 3.720 -7.587 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -4.396 6.592 -5.067 1.00 0.00 H new ATOM 1006 N ILE A 66 -5.110 1.167 -4.180 1.00 0.00 N ATOM 1007 CA ILE A 66 -6.317 0.506 -3.724 1.00 0.00 C ATOM 1008 C ILE A 66 -7.450 0.763 -4.699 1.00 0.00 C ATOM 1009 O ILE A 66 -8.008 1.858 -4.743 1.00 0.00 O ATOM 1010 CB ILE A 66 -6.734 0.983 -2.320 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -5.577 1.701 -1.632 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -7.192 -0.196 -1.480 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -4.255 0.981 -1.768 1.00 0.00 C ATOM 0 H ILE A 66 -4.732 1.863 -3.537 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.106 -0.562 -3.672 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.562 1.684 -2.426 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.481 2.703 -2.051 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.810 1.819 -0.574 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.484 0.154 -0.490 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.044 -0.676 -1.961 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.377 -0.914 -1.385 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.478 1.548 -1.255 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.334 -0.011 -1.324 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.999 0.887 -2.823 1.00 0.00 H new ATOM 1025 N LYS A 67 -7.789 -0.255 -5.476 1.00 0.00 N ATOM 1026 CA LYS A 67 -8.863 -0.135 -6.444 1.00 0.00 C ATOM 1027 C LYS A 67 -10.183 0.056 -5.716 1.00 0.00 C ATOM 1028 O LYS A 67 -10.340 -0.424 -4.595 1.00 0.00 O ATOM 1029 CB LYS A 67 -8.921 -1.375 -7.339 1.00 0.00 C ATOM 1030 CG LYS A 67 -9.953 -1.274 -8.450 1.00 0.00 C ATOM 1031 CD LYS A 67 -9.600 -0.177 -9.441 1.00 0.00 C ATOM 1032 CE LYS A 67 -8.105 0.098 -9.457 1.00 0.00 C ATOM 1033 NZ LYS A 67 -7.680 0.789 -10.706 1.00 0.00 N ATOM 0 H LYS A 67 -7.337 -1.169 -5.454 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.675 0.731 -7.078 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -7.938 -1.541 -7.781 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.145 -2.247 -6.724 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.022 -2.229 -8.972 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.934 -1.075 -8.019 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.929 -0.467 -10.439 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.136 0.736 -9.182 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.839 0.710 -8.595 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.562 -0.842 -9.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.654 0.958 -10.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.910 0.194 -11.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.179 1.698 -10.787 1.00 0.00 H new ATOM 1047 N GLU A 68 -11.117 0.755 -6.358 1.00 0.00 N ATOM 1048 CA GLU A 68 -12.430 1.023 -5.773 1.00 0.00 C ATOM 1049 C GLU A 68 -13.522 0.332 -6.579 1.00 0.00 C ATOM 1050 O GLU A 68 -13.502 0.351 -7.810 1.00 0.00 O ATOM 1051 CB GLU A 68 -12.693 2.533 -5.748 1.00 0.00 C ATOM 1052 CG GLU A 68 -12.220 3.222 -4.479 1.00 0.00 C ATOM 1053 CD GLU A 68 -13.305 4.065 -3.838 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -14.468 3.974 -4.284 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -12.992 4.819 -2.892 1.00 0.00 O ATOM 0 H GLU A 68 -10.988 1.149 -7.290 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.440 0.635 -4.755 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.198 2.992 -6.604 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.762 2.707 -5.867 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.880 2.471 -3.767 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.362 3.854 -4.710 1.00 0.00 H new ATOM 1062 N THR A 69 -14.471 -0.285 -5.882 1.00 0.00 N ATOM 1063 CA THR A 69 -15.561 -0.983 -6.549 1.00 0.00 C ATOM 1064 C THR A 69 -16.863 -0.820 -5.776 1.00 0.00 C ATOM 1065 O THR A 69 -16.861 -0.713 -4.551 1.00 0.00 O ATOM 1066 CB THR A 69 -15.226 -2.467 -6.700 1.00 0.00 C ATOM 1067 OG1 THR A 69 -16.319 -3.272 -6.292 1.00 0.00 O ATOM 1068 CG2 THR A 69 -14.017 -2.894 -5.895 1.00 0.00 C ATOM 0 H THR A 69 -14.507 -0.315 -4.863 1.00 0.00 H new ATOM 0 HA THR A 69 -15.690 -0.544 -7.539 1.00 0.00 H new ATOM 0 HB THR A 69 -15.005 -2.606 -7.758 1.00 0.00 H new ATOM 0 HG1 THR A 69 -16.086 -4.218 -6.397 1.00 0.00 H new ATOM 0 HG21 THR A 69 -13.835 -3.958 -6.048 1.00 0.00 H new ATOM 0 HG22 THR A 69 -13.145 -2.327 -6.220 1.00 0.00 H new ATOM 0 HG23 THR A 69 -14.199 -2.705 -4.837 1.00 0.00 H new ATOM 1076 N ASN A 70 -17.976 -0.807 -6.495 1.00 0.00 N ATOM 1077 CA ASN A 70 -19.280 -0.665 -5.865 1.00 0.00 C ATOM 1078 C ASN A 70 -19.679 -1.960 -5.168 1.00 0.00 C ATOM 1079 O ASN A 70 -20.820 -2.407 -5.274 1.00 0.00 O ATOM 1080 CB ASN A 70 -20.335 -0.283 -6.904 1.00 0.00 C ATOM 1081 CG ASN A 70 -19.734 0.404 -8.115 1.00 0.00 C ATOM 1082 OD1 ASN A 70 -19.291 1.549 -8.038 1.00 0.00 O ATOM 1083 ND2 ASN A 70 -19.716 -0.297 -9.243 1.00 0.00 N ATOM 0 H ASN A 70 -18.002 -0.893 -7.511 1.00 0.00 H new ATOM 0 HA ASN A 70 -19.217 0.128 -5.120 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -20.866 -1.179 -7.225 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -21.071 0.376 -6.444 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -19.324 0.112 -10.091 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -20.095 -1.244 -9.261 1.00 0.00 H new ATOM 1090 N ASP A 71 -18.728 -2.565 -4.457 1.00 0.00 N ATOM 1091 CA ASP A 71 -18.990 -3.812 -3.754 1.00 0.00 C ATOM 1092 C ASP A 71 -20.192 -3.668 -2.831 1.00 0.00 C ATOM 1093 O ASP A 71 -21.091 -2.865 -3.087 1.00 0.00 O ATOM 1094 CB ASP A 71 -17.767 -4.262 -2.953 1.00 0.00 C ATOM 1095 CG ASP A 71 -16.464 -3.907 -3.642 1.00 0.00 C ATOM 1096 OD1 ASP A 71 -16.362 -2.784 -4.176 1.00 0.00 O ATOM 1097 OD2 ASP A 71 -15.548 -4.756 -3.649 1.00 0.00 O ATOM 0 H ASP A 71 -17.777 -2.212 -4.355 1.00 0.00 H new ATOM 0 HA ASP A 71 -19.210 -4.573 -4.503 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -17.791 -3.799 -1.967 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -17.812 -5.340 -2.800 1.00 0.00 H new ATOM 1102 N SER A 72 -20.206 -4.447 -1.757 1.00 0.00 N ATOM 1103 CA SER A 72 -21.303 -4.401 -0.800 1.00 0.00 C ATOM 1104 C SER A 72 -20.809 -4.650 0.622 1.00 0.00 C ATOM 1105 O SER A 72 -20.961 -5.747 1.160 1.00 0.00 O ATOM 1106 CB SER A 72 -22.369 -5.434 -1.166 1.00 0.00 C ATOM 1107 OG SER A 72 -22.961 -5.134 -2.420 1.00 0.00 O ATOM 0 H SER A 72 -19.472 -5.117 -1.527 1.00 0.00 H new ATOM 0 HA SER A 72 -21.738 -3.403 -0.841 1.00 0.00 H new ATOM 0 HB2 SER A 72 -21.921 -6.427 -1.200 1.00 0.00 H new ATOM 0 HB3 SER A 72 -23.138 -5.457 -0.394 1.00 0.00 H new ATOM 0 HG SER A 72 -23.638 -5.810 -2.632 1.00 0.00 H new ATOM 1113 N PRO A 73 -20.205 -3.628 1.251 1.00 0.00 N ATOM 1114 CA PRO A 73 -20.005 -2.318 0.651 1.00 0.00 C ATOM 1115 C PRO A 73 -18.623 -2.173 0.020 1.00 0.00 C ATOM 1116 O PRO A 73 -18.350 -1.204 -0.687 1.00 0.00 O ATOM 1117 CB PRO A 73 -20.133 -1.405 1.863 1.00 0.00 C ATOM 1118 CG PRO A 73 -19.576 -2.203 3.004 1.00 0.00 C ATOM 1119 CD PRO A 73 -19.666 -3.665 2.617 1.00 0.00 C ATOM 0 HA PRO A 73 -20.703 -2.108 -0.160 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -19.578 -0.478 1.720 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -21.172 -1.130 2.043 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -18.542 -1.921 3.202 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -20.139 -2.012 3.918 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -18.690 -4.149 2.650 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -20.320 -4.219 3.291 1.00 0.00 H new ATOM 1127 N LYS A 74 -17.755 -3.143 0.293 1.00 0.00 N ATOM 1128 CA LYS A 74 -16.393 -3.136 -0.231 1.00 0.00 C ATOM 1129 C LYS A 74 -16.271 -2.271 -1.478 1.00 0.00 C ATOM 1130 O LYS A 74 -17.220 -2.114 -2.245 1.00 0.00 O ATOM 1131 CB LYS A 74 -15.934 -4.563 -0.537 1.00 0.00 C ATOM 1132 CG LYS A 74 -16.406 -5.587 0.482 1.00 0.00 C ATOM 1133 CD LYS A 74 -17.672 -6.289 0.020 1.00 0.00 C ATOM 1134 CE LYS A 74 -17.387 -7.265 -1.109 1.00 0.00 C ATOM 1135 NZ LYS A 74 -18.568 -8.115 -1.421 1.00 0.00 N ATOM 0 H LYS A 74 -17.973 -3.949 0.878 1.00 0.00 H new ATOM 0 HA LYS A 74 -15.750 -2.706 0.537 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -16.299 -4.849 -1.523 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -14.845 -4.583 -0.582 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -15.621 -6.324 0.650 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -16.590 -5.094 1.437 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -18.120 -6.822 0.858 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -18.399 -5.548 -0.313 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -17.092 -6.712 -2.001 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -16.545 -7.901 -0.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -18.332 -8.767 -2.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -18.834 -8.662 -0.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -19.365 -7.511 -1.707 1.00 0.00 H new ATOM 1149 N ARG A 75 -15.087 -1.705 -1.666 1.00 0.00 N ATOM 1150 CA ARG A 75 -14.821 -0.851 -2.807 1.00 0.00 C ATOM 1151 C ARG A 75 -13.346 -0.842 -3.165 1.00 0.00 C ATOM 1152 O ARG A 75 -12.981 -0.964 -4.333 1.00 0.00 O ATOM 1153 CB ARG A 75 -15.271 0.573 -2.510 1.00 0.00 C ATOM 1154 CG ARG A 75 -16.772 0.712 -2.473 1.00 0.00 C ATOM 1155 CD ARG A 75 -17.207 1.880 -1.604 1.00 0.00 C ATOM 1156 NE ARG A 75 -17.146 1.551 -0.185 1.00 0.00 N ATOM 1157 CZ ARG A 75 -17.783 2.237 0.758 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -18.523 3.287 0.431 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -17.683 1.872 2.029 1.00 0.00 N ATOM 0 H ARG A 75 -14.293 -1.825 -1.037 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.380 -1.250 -3.653 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.857 0.888 -1.552 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -14.866 1.243 -3.268 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -17.150 0.852 -3.486 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -17.213 -0.209 -2.092 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -16.569 2.740 -1.805 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -18.225 2.169 -1.867 1.00 0.00 H new ATOM 0 HE ARG A 75 -16.583 0.750 0.100 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -18.604 3.569 -0.546 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -19.011 3.812 1.156 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -17.116 1.063 2.284 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -18.173 2.400 2.751 1.00 0.00 H new ATOM 1173 N TYR A 76 -12.501 -0.653 -2.159 1.00 0.00 N ATOM 1174 CA TYR A 76 -11.070 -0.572 -2.390 1.00 0.00 C ATOM 1175 C TYR A 76 -10.406 -1.938 -2.398 1.00 0.00 C ATOM 1176 O TYR A 76 -10.806 -2.850 -1.675 1.00 0.00 O ATOM 1177 CB TYR A 76 -10.433 0.339 -1.351 1.00 0.00 C ATOM 1178 CG TYR A 76 -11.295 1.535 -1.061 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -12.444 1.757 -1.802 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -10.973 2.430 -0.058 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -13.255 2.835 -1.558 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -11.780 3.522 0.200 1.00 0.00 C ATOM 1183 CZ TYR A 76 -12.923 3.722 -0.552 1.00 0.00 C ATOM 1184 OH TYR A 76 -13.730 4.807 -0.300 1.00 0.00 O ATOM 0 H TYR A 76 -12.782 -0.554 -1.183 1.00 0.00 H new ATOM 0 HA TYR A 76 -10.916 -0.149 -3.383 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.264 -0.220 -0.431 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.457 0.671 -1.706 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -12.707 1.066 -2.589 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.081 2.274 0.531 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -14.147 2.990 -2.148 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -11.519 4.216 0.985 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.858 5.319 -1.126 1.00 0.00 H new ATOM 1194 N TYR A 77 -9.391 -2.060 -3.240 1.00 0.00 N ATOM 1195 CA TYR A 77 -8.644 -3.311 -3.383 1.00 0.00 C ATOM 1196 C TYR A 77 -7.483 -3.143 -4.361 1.00 0.00 C ATOM 1197 O TYR A 77 -7.609 -2.456 -5.372 1.00 0.00 O ATOM 1198 CB TYR A 77 -9.568 -4.422 -3.877 1.00 0.00 C ATOM 1199 CG TYR A 77 -9.835 -4.351 -5.357 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -10.732 -3.423 -5.868 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -9.186 -5.201 -6.243 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -10.980 -3.341 -7.222 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -9.428 -5.124 -7.603 1.00 0.00 C ATOM 1204 CZ TYR A 77 -10.326 -4.193 -8.087 1.00 0.00 C ATOM 1205 OH TYR A 77 -10.568 -4.114 -9.439 1.00 0.00 O ATOM 0 H TYR A 77 -9.060 -1.305 -3.841 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.243 -3.578 -2.405 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.124 -5.389 -3.640 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.515 -4.365 -3.340 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -11.245 -2.753 -5.193 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.484 -5.930 -5.866 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -11.682 -2.614 -7.603 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.917 -5.789 -8.283 1.00 0.00 H new ATOM 0 HH TYR A 77 -11.390 -3.604 -9.595 1.00 0.00 H new ATOM 1215 N VAL A 78 -6.355 -3.779 -4.058 1.00 0.00 N ATOM 1216 CA VAL A 78 -5.180 -3.696 -4.920 1.00 0.00 C ATOM 1217 C VAL A 78 -4.750 -5.068 -5.413 1.00 0.00 C ATOM 1218 O VAL A 78 -3.783 -5.638 -4.910 1.00 0.00 O ATOM 1219 CB VAL A 78 -3.982 -3.058 -4.197 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -4.359 -1.712 -3.606 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -3.452 -3.996 -3.124 1.00 0.00 C ATOM 0 H VAL A 78 -6.230 -4.355 -3.226 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.474 -3.072 -5.764 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.190 -2.889 -4.926 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.495 -1.282 -3.100 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.683 -1.043 -4.403 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.170 -1.843 -2.890 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.604 -3.531 -2.621 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.239 -4.199 -2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.133 -4.931 -3.584 1.00 0.00 H new ATOM 1231 N ALA A 79 -5.457 -5.591 -6.406 1.00 0.00 N ATOM 1232 CA ALA A 79 -5.121 -6.895 -6.960 1.00 0.00 C ATOM 1233 C ALA A 79 -6.365 -7.737 -7.210 1.00 0.00 C ATOM 1234 O ALA A 79 -6.290 -8.965 -7.232 1.00 0.00 O ATOM 1235 CB ALA A 79 -4.179 -7.634 -6.019 1.00 0.00 C ATOM 0 H ALA A 79 -6.260 -5.137 -6.841 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.628 -6.731 -7.918 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.933 -8.608 -6.441 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.265 -7.054 -5.889 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.663 -7.770 -5.052 1.00 0.00 H new ATOM 1241 N GLU A 80 -7.513 -7.091 -7.374 1.00 0.00 N ATOM 1242 CA GLU A 80 -8.748 -7.832 -7.588 1.00 0.00 C ATOM 1243 C GLU A 80 -8.781 -8.993 -6.608 1.00 0.00 C ATOM 1244 O GLU A 80 -9.445 -10.007 -6.826 1.00 0.00 O ATOM 1245 CB GLU A 80 -8.831 -8.346 -9.028 1.00 0.00 C ATOM 1246 CG GLU A 80 -9.401 -7.331 -10.004 1.00 0.00 C ATOM 1247 CD GLU A 80 -9.703 -7.934 -11.362 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -10.776 -8.555 -11.510 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -8.866 -7.783 -12.277 1.00 0.00 O ATOM 0 H GLU A 80 -7.614 -6.076 -7.363 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.604 -7.177 -7.423 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.834 -8.636 -9.359 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.448 -9.244 -9.049 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.314 -6.906 -9.588 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.693 -6.511 -10.124 1.00 0.00 H new ATOM 1256 N LYS A 81 -8.024 -8.819 -5.531 1.00 0.00 N ATOM 1257 CA LYS A 81 -7.899 -9.819 -4.484 1.00 0.00 C ATOM 1258 C LYS A 81 -8.979 -9.661 -3.422 1.00 0.00 C ATOM 1259 O LYS A 81 -9.971 -10.389 -3.405 1.00 0.00 O ATOM 1260 CB LYS A 81 -6.537 -9.671 -3.814 1.00 0.00 C ATOM 1261 CG LYS A 81 -5.353 -9.871 -4.741 1.00 0.00 C ATOM 1262 CD LYS A 81 -4.059 -9.420 -4.084 1.00 0.00 C ATOM 1263 CE LYS A 81 -3.510 -10.477 -3.143 1.00 0.00 C ATOM 1264 NZ LYS A 81 -3.313 -9.939 -1.771 1.00 0.00 N ATOM 0 H LYS A 81 -7.478 -7.975 -5.361 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.007 -10.801 -4.944 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.471 -8.678 -3.370 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.468 -10.390 -2.998 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -5.277 -10.923 -5.016 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.511 -9.311 -5.663 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -3.319 -9.197 -4.853 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -4.234 -8.496 -3.532 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -4.195 -11.324 -3.107 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -2.561 -10.850 -3.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.371 -10.716 -1.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -2.378 -9.488 -1.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -4.052 -9.237 -1.564 1.00 0.00 H new ATOM 1278 N TYR A 82 -8.757 -8.703 -2.528 1.00 0.00 N ATOM 1279 CA TYR A 82 -9.679 -8.428 -1.439 1.00 0.00 C ATOM 1280 C TYR A 82 -10.087 -6.965 -1.445 1.00 0.00 C ATOM 1281 O TYR A 82 -9.247 -6.079 -1.288 1.00 0.00 O ATOM 1282 CB TYR A 82 -9.032 -8.754 -0.089 1.00 0.00 C ATOM 1283 CG TYR A 82 -8.016 -9.870 -0.137 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -6.991 -9.861 -1.069 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -8.078 -10.927 0.761 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -6.054 -10.872 -1.112 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -7.144 -11.945 0.727 1.00 0.00 C ATOM 1288 CZ TYR A 82 -6.133 -11.913 -0.212 1.00 0.00 C ATOM 1289 OH TYR A 82 -5.201 -12.925 -0.249 1.00 0.00 O ATOM 0 H TYR A 82 -7.935 -8.099 -2.540 1.00 0.00 H new ATOM 0 HA TYR A 82 -10.559 -9.055 -1.582 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -8.549 -7.856 0.295 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -9.815 -9.022 0.620 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -6.924 -9.047 -1.775 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -8.868 -10.954 1.497 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.263 -10.848 -1.847 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -7.205 -12.761 1.432 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.400 -13.579 0.453 1.00 0.00 H new ATOM 1299 N VAL A 83 -11.373 -6.711 -1.616 1.00 0.00 N ATOM 1300 CA VAL A 83 -11.863 -5.347 -1.624 1.00 0.00 C ATOM 1301 C VAL A 83 -12.326 -4.935 -0.241 1.00 0.00 C ATOM 1302 O VAL A 83 -12.863 -5.744 0.516 1.00 0.00 O ATOM 1303 CB VAL A 83 -13.008 -5.149 -2.625 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -13.158 -3.675 -2.969 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -12.766 -5.979 -3.877 1.00 0.00 C ATOM 0 H VAL A 83 -12.089 -7.425 -1.750 1.00 0.00 H new ATOM 0 HA VAL A 83 -11.030 -4.716 -1.934 1.00 0.00 H new ATOM 0 HB VAL A 83 -13.938 -5.488 -2.168 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.974 -3.549 -3.680 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.376 -3.110 -2.063 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.232 -3.308 -3.411 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -13.587 -5.828 -4.578 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -11.830 -5.671 -4.343 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -12.707 -7.034 -3.609 1.00 0.00 H new ATOM 1315 N PHE A 84 -12.104 -3.674 0.087 1.00 0.00 N ATOM 1316 CA PHE A 84 -12.487 -3.148 1.384 1.00 0.00 C ATOM 1317 C PHE A 84 -13.060 -1.743 1.253 1.00 0.00 C ATOM 1318 O PHE A 84 -13.038 -1.147 0.173 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.281 -3.146 2.328 1.00 0.00 C ATOM 1320 CG PHE A 84 -10.506 -4.435 2.319 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -9.598 -4.709 1.307 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -10.682 -5.373 3.325 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -8.882 -5.895 1.297 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -9.970 -6.560 3.320 1.00 0.00 C ATOM 1325 CZ PHE A 84 -9.068 -6.821 2.304 1.00 0.00 C ATOM 0 H PHE A 84 -11.659 -2.994 -0.530 1.00 0.00 H new ATOM 0 HA PHE A 84 -13.261 -3.792 1.801 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.615 -2.329 2.050 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -11.625 -2.946 3.343 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -9.447 -3.989 0.517 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -11.383 -5.175 4.122 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -8.179 -6.095 0.502 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -10.119 -7.282 4.109 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.511 -7.746 2.299 1.00 0.00 H new ATOM 1335 N ASP A 85 -13.576 -1.224 2.359 1.00 0.00 N ATOM 1336 CA ASP A 85 -14.163 0.108 2.377 1.00 0.00 C ATOM 1337 C ASP A 85 -13.125 1.159 2.751 1.00 0.00 C ATOM 1338 O ASP A 85 -13.436 2.348 2.822 1.00 0.00 O ATOM 1339 CB ASP A 85 -15.333 0.158 3.361 1.00 0.00 C ATOM 1340 CG ASP A 85 -15.655 1.571 3.805 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -15.607 2.485 2.956 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -15.954 1.764 5.003 1.00 0.00 O ATOM 0 H ASP A 85 -13.600 -1.707 3.257 1.00 0.00 H new ATOM 0 HA ASP A 85 -14.529 0.328 1.374 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -16.214 -0.283 2.896 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -15.096 -0.449 4.235 1.00 0.00 H new ATOM 1347 N SER A 86 -11.893 0.720 2.993 1.00 0.00 N ATOM 1348 CA SER A 86 -10.829 1.645 3.360 1.00 0.00 C ATOM 1349 C SER A 86 -9.446 1.001 3.258 1.00 0.00 C ATOM 1350 O SER A 86 -9.268 -0.208 3.495 1.00 0.00 O ATOM 1351 CB SER A 86 -11.054 2.175 4.778 1.00 0.00 C ATOM 1352 OG SER A 86 -12.365 1.883 5.230 1.00 0.00 O ATOM 0 H SER A 86 -11.610 -0.259 2.942 1.00 0.00 H new ATOM 0 HA SER A 86 -10.861 2.473 2.651 1.00 0.00 H new ATOM 0 HB2 SER A 86 -10.325 1.731 5.456 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.891 3.253 4.797 1.00 0.00 H new ATOM 0 HG SER A 86 -12.345 1.695 6.192 1.00 0.00 H new ATOM 1358 N ILE A 87 -8.468 1.829 2.913 1.00 0.00 N ATOM 1359 CA ILE A 87 -7.095 1.380 2.784 1.00 0.00 C ATOM 1360 C ILE A 87 -6.634 0.679 4.052 1.00 0.00 C ATOM 1361 O ILE A 87 -6.004 -0.371 3.996 1.00 0.00 O ATOM 1362 CB ILE A 87 -6.135 2.554 2.511 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -6.303 3.096 1.091 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.698 2.116 2.739 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -7.530 2.586 0.371 1.00 0.00 C ATOM 0 H ILE A 87 -8.606 2.821 2.717 1.00 0.00 H new ATOM 0 HA ILE A 87 -7.072 0.690 1.941 1.00 0.00 H new ATOM 0 HB ILE A 87 -6.381 3.357 3.205 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -6.347 4.184 1.133 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.420 2.835 0.508 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.027 2.953 2.543 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.577 1.788 3.771 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.457 1.293 2.066 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.572 3.020 -0.628 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.481 1.500 0.293 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.423 2.870 0.928 1.00 0.00 H new ATOM 1377 N PRO A 88 -6.942 1.256 5.224 1.00 0.00 N ATOM 1378 CA PRO A 88 -6.541 0.677 6.503 1.00 0.00 C ATOM 1379 C PRO A 88 -6.985 -0.768 6.633 1.00 0.00 C ATOM 1380 O PRO A 88 -6.181 -1.639 6.957 1.00 0.00 O ATOM 1381 CB PRO A 88 -7.224 1.562 7.543 1.00 0.00 C ATOM 1382 CG PRO A 88 -7.500 2.849 6.838 1.00 0.00 C ATOM 1383 CD PRO A 88 -7.696 2.507 5.386 1.00 0.00 C ATOM 0 HA PRO A 88 -5.458 0.652 6.620 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -8.145 1.106 7.905 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.583 1.717 8.411 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -8.388 3.332 7.246 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -6.671 3.546 6.964 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.750 2.375 5.144 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.315 3.293 4.734 1.00 0.00 H new ATOM 1391 N LEU A 89 -8.251 -1.039 6.335 1.00 0.00 N ATOM 1392 CA LEU A 89 -8.731 -2.408 6.381 1.00 0.00 C ATOM 1393 C LEU A 89 -8.092 -3.144 5.222 1.00 0.00 C ATOM 1394 O LEU A 89 -7.477 -4.206 5.393 1.00 0.00 O ATOM 1395 CB LEU A 89 -10.258 -2.488 6.286 1.00 0.00 C ATOM 1396 CG LEU A 89 -11.000 -1.165 6.451 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -11.334 -0.580 5.091 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -12.264 -1.365 7.273 1.00 0.00 C ATOM 0 H LEU A 89 -8.947 -0.344 6.065 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.460 -2.858 7.336 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.522 -2.913 5.318 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.615 -3.182 7.047 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.355 -0.464 6.981 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.863 0.364 5.221 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.414 -0.406 4.534 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.965 -1.277 4.540 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.782 -0.412 7.382 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.917 -2.077 6.769 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -12.000 -1.749 8.258 1.00 0.00 H new ATOM 1410 N LEU A 90 -8.193 -2.538 4.038 1.00 0.00 N ATOM 1411 CA LEU A 90 -7.578 -3.113 2.858 1.00 0.00 C ATOM 1412 C LEU A 90 -6.111 -3.386 3.158 1.00 0.00 C ATOM 1413 O LEU A 90 -5.553 -4.398 2.739 1.00 0.00 O ATOM 1414 CB LEU A 90 -7.718 -2.167 1.668 1.00 0.00 C ATOM 1415 CG LEU A 90 -7.344 -2.775 0.318 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -8.351 -2.368 -0.744 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -5.937 -2.355 -0.081 1.00 0.00 C ATOM 0 H LEU A 90 -8.689 -1.661 3.879 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.078 -4.047 2.600 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.749 -1.817 1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.092 -1.292 1.842 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.363 -3.861 0.407 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.070 -2.810 -1.700 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.343 -2.720 -0.459 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.364 -1.282 -0.836 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.685 -2.796 -1.045 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.889 -1.269 -0.156 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.227 -2.699 0.672 1.00 0.00 H new ATOM 1429 N ILE A 91 -5.511 -2.481 3.928 1.00 0.00 N ATOM 1430 CA ILE A 91 -4.121 -2.617 4.342 1.00 0.00 C ATOM 1431 C ILE A 91 -4.043 -3.601 5.491 1.00 0.00 C ATOM 1432 O ILE A 91 -3.214 -4.510 5.499 1.00 0.00 O ATOM 1433 CB ILE A 91 -3.517 -1.273 4.801 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -3.582 -0.246 3.673 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -2.076 -1.466 5.255 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -2.953 -0.734 2.397 1.00 0.00 C ATOM 0 H ILE A 91 -5.971 -1.641 4.279 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.551 -2.968 3.482 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.101 -0.902 5.643 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.624 0.011 3.483 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.081 0.668 3.992 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.664 -0.509 5.576 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.048 -2.170 6.087 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.483 -1.857 4.428 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.031 0.040 1.634 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.903 -0.965 2.574 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.469 -1.632 2.057 1.00 0.00 H new ATOM 1448 N GLN A 92 -4.938 -3.418 6.455 1.00 0.00 N ATOM 1449 CA GLN A 92 -5.001 -4.293 7.608 1.00 0.00 C ATOM 1450 C GLN A 92 -5.131 -5.733 7.149 1.00 0.00 C ATOM 1451 O GLN A 92 -4.663 -6.652 7.820 1.00 0.00 O ATOM 1452 CB GLN A 92 -6.182 -3.916 8.505 1.00 0.00 C ATOM 1453 CG GLN A 92 -5.910 -2.718 9.400 1.00 0.00 C ATOM 1454 CD GLN A 92 -4.436 -2.545 9.710 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -4.011 -2.684 10.858 1.00 0.00 O ATOM 1456 NE2 GLN A 92 -3.646 -2.240 8.687 1.00 0.00 N ATOM 0 H GLN A 92 -5.629 -2.668 6.456 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.083 -4.181 8.185 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -7.048 -3.702 7.879 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.442 -4.772 9.128 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -6.284 -1.816 8.917 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -6.463 -2.833 10.332 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -4.040 -2.134 7.752 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.645 -2.112 8.836 1.00 0.00 H new ATOM 1465 N TYR A 93 -5.759 -5.929 5.988 1.00 0.00 N ATOM 1466 CA TYR A 93 -5.921 -7.266 5.453 1.00 0.00 C ATOM 1467 C TYR A 93 -4.570 -7.807 4.990 1.00 0.00 C ATOM 1468 O TYR A 93 -4.170 -8.897 5.399 1.00 0.00 O ATOM 1469 CB TYR A 93 -6.952 -7.270 4.327 1.00 0.00 C ATOM 1470 CG TYR A 93 -6.407 -7.711 2.998 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -5.818 -8.958 2.843 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -6.486 -6.878 1.897 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -5.323 -9.360 1.620 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -5.997 -7.270 0.675 1.00 0.00 C ATOM 1475 CZ TYR A 93 -5.415 -8.512 0.538 1.00 0.00 C ATOM 1476 OH TYR A 93 -4.920 -8.900 -0.682 1.00 0.00 O ATOM 0 H TYR A 93 -6.156 -5.185 5.413 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.295 -7.926 6.236 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -7.776 -7.927 4.606 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -7.365 -6.267 4.223 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -5.746 -9.623 3.691 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -6.940 -5.903 2.000 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -4.866 -10.333 1.511 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.068 -6.608 -0.175 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.342 -9.742 -0.953 1.00 0.00 H new ATOM 1486 N HIS A 94 -3.830 -7.034 4.182 1.00 0.00 N ATOM 1487 CA HIS A 94 -2.507 -7.476 3.760 1.00 0.00 C ATOM 1488 C HIS A 94 -1.549 -7.338 4.930 1.00 0.00 C ATOM 1489 O HIS A 94 -0.788 -8.252 5.244 1.00 0.00 O ATOM 1490 CB HIS A 94 -1.955 -6.659 2.598 1.00 0.00 C ATOM 1491 CG HIS A 94 -2.905 -6.405 1.470 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -3.037 -7.258 0.395 1.00 0.00 N ATOM 1493 CD2 HIS A 94 -3.738 -5.366 1.228 1.00 0.00 C ATOM 1494 CE1 HIS A 94 -3.909 -6.758 -0.458 1.00 0.00 C ATOM 1495 NE2 HIS A 94 -4.348 -5.608 0.022 1.00 0.00 N ATOM 0 H HIS A 94 -4.120 -6.126 3.820 1.00 0.00 H new ATOM 0 HA HIS A 94 -2.602 -8.510 3.429 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -1.614 -5.698 2.984 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.079 -7.172 2.202 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -3.894 -4.507 1.864 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -4.213 -7.211 -1.390 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -5.030 -4.999 -0.430 1.00 0.00 H new ATOM 1504 N GLN A 95 -1.603 -6.175 5.573 1.00 0.00 N ATOM 1505 CA GLN A 95 -0.749 -5.889 6.713 1.00 0.00 C ATOM 1506 C GLN A 95 -0.804 -7.040 7.711 1.00 0.00 C ATOM 1507 O GLN A 95 0.030 -7.143 8.611 1.00 0.00 O ATOM 1508 CB GLN A 95 -1.181 -4.580 7.386 1.00 0.00 C ATOM 1509 CG GLN A 95 -0.022 -3.690 7.814 1.00 0.00 C ATOM 1510 CD GLN A 95 0.475 -2.787 6.700 1.00 0.00 C ATOM 1511 OE1 GLN A 95 -0.088 -1.722 6.453 1.00 0.00 O ATOM 1512 NE2 GLN A 95 1.541 -3.206 6.027 1.00 0.00 N ATOM 0 H GLN A 95 -2.234 -5.414 5.319 1.00 0.00 H new ATOM 0 HA GLN A 95 0.277 -5.777 6.363 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.818 -4.023 6.699 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -1.786 -4.816 8.261 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -0.335 -3.077 8.659 1.00 0.00 H new ATOM 0 HG3 GLN A 95 0.800 -4.316 8.161 1.00 0.00 H new ATOM 0 HE21 GLN A 95 1.977 -4.097 6.265 1.00 0.00 H new ATOM 0 HE22 GLN A 95 1.923 -2.637 5.272 1.00 0.00 H new ATOM 1521 N TYR A 96 -1.801 -7.906 7.538 1.00 0.00 N ATOM 1522 CA TYR A 96 -1.985 -9.058 8.411 1.00 0.00 C ATOM 1523 C TYR A 96 -2.252 -10.323 7.596 1.00 0.00 C ATOM 1524 O TYR A 96 -1.322 -10.998 7.157 1.00 0.00 O ATOM 1525 CB TYR A 96 -3.146 -8.805 9.373 1.00 0.00 C ATOM 1526 CG TYR A 96 -2.872 -7.709 10.375 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -2.631 -6.407 9.956 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -2.856 -7.974 11.738 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -2.381 -5.400 10.867 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -2.607 -6.972 12.656 1.00 0.00 C ATOM 1531 CZ TYR A 96 -2.369 -5.686 12.215 1.00 0.00 C ATOM 1532 OH TYR A 96 -2.120 -4.685 13.126 1.00 0.00 O ATOM 0 H TYR A 96 -2.496 -7.828 6.796 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.068 -9.204 8.982 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.034 -8.546 8.797 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -3.371 -9.727 9.908 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -2.639 -6.178 8.900 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -3.041 -8.979 12.086 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -2.196 -4.393 10.525 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -2.599 -7.194 13.713 1.00 0.00 H new ATOM 0 HH TYR A 96 -2.149 -5.054 14.033 1.00 0.00 H new ATOM 1542 N ASN A 97 -3.531 -10.634 7.406 1.00 0.00 N ATOM 1543 CA ASN A 97 -3.942 -11.817 6.650 1.00 0.00 C ATOM 1544 C ASN A 97 -2.793 -12.383 5.818 1.00 0.00 C ATOM 1545 O ASN A 97 -1.806 -12.881 6.361 1.00 0.00 O ATOM 1546 CB ASN A 97 -5.125 -11.480 5.741 1.00 0.00 C ATOM 1547 CG ASN A 97 -6.340 -11.017 6.521 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -7.321 -11.748 6.657 1.00 0.00 O ATOM 1549 ND2 ASN A 97 -6.281 -9.795 7.038 1.00 0.00 N ATOM 0 H ASN A 97 -4.307 -10.080 7.767 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.242 -12.579 7.370 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -4.829 -10.701 5.038 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.388 -12.358 5.151 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -7.069 -9.429 7.572 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -5.448 -9.223 6.901 1.00 0.00 H new ATOM 1556 N GLY A 98 -2.935 -12.315 4.496 1.00 0.00 N ATOM 1557 CA GLY A 98 -1.906 -12.835 3.612 1.00 0.00 C ATOM 1558 C GLY A 98 -1.617 -11.914 2.441 1.00 0.00 C ATOM 1559 O GLY A 98 -0.590 -12.052 1.777 1.00 0.00 O ATOM 0 H GLY A 98 -3.743 -11.910 4.023 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.989 -12.991 4.181 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.216 -13.809 3.234 1.00 0.00 H new ATOM 1563 N GLY A 99 -2.521 -10.972 2.190 1.00 0.00 N ATOM 1564 CA GLY A 99 -2.339 -10.036 1.094 1.00 0.00 C ATOM 1565 C GLY A 99 -1.178 -10.404 0.188 1.00 0.00 C ATOM 1566 O GLY A 99 -0.060 -9.925 0.378 1.00 0.00 O ATOM 0 H GLY A 99 -3.378 -10.840 2.727 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.254 -9.993 0.504 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.174 -9.038 1.499 1.00 0.00 H new ATOM 1570 N GLY A 100 -1.444 -11.254 -0.801 1.00 0.00 N ATOM 1571 CA GLY A 100 -0.404 -11.664 -1.728 1.00 0.00 C ATOM 1572 C GLY A 100 0.630 -10.580 -1.965 1.00 0.00 C ATOM 1573 O GLY A 100 1.775 -10.874 -2.309 1.00 0.00 O ATOM 0 H GLY A 100 -2.361 -11.666 -0.976 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.091 -12.554 -1.341 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -0.859 -11.940 -2.679 1.00 0.00 H new ATOM 1577 N LEU A 101 0.228 -9.325 -1.774 1.00 0.00 N ATOM 1578 CA LEU A 101 1.129 -8.191 -1.961 1.00 0.00 C ATOM 1579 C LEU A 101 2.582 -8.623 -1.780 1.00 0.00 C ATOM 1580 O LEU A 101 2.857 -9.610 -1.099 1.00 0.00 O ATOM 1581 CB LEU A 101 0.787 -7.087 -0.957 1.00 0.00 C ATOM 1582 CG LEU A 101 -0.008 -5.909 -1.520 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -1.465 -6.298 -1.724 1.00 0.00 C ATOM 1584 CD2 LEU A 101 0.101 -4.707 -0.592 1.00 0.00 C ATOM 0 H LEU A 101 -0.717 -9.068 -1.489 1.00 0.00 H new ATOM 0 HA LEU A 101 1.004 -7.811 -2.975 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.219 -7.528 -0.138 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.716 -6.706 -0.532 1.00 0.00 H new ATOM 0 HG LEU A 101 0.412 -5.637 -2.489 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.016 -5.447 -2.125 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.524 -7.132 -2.424 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.900 -6.594 -0.769 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.470 -3.875 -1.005 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.296 -4.968 0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.147 -4.416 -0.495 1.00 0.00 H new ATOM 1596 N VAL A 102 3.513 -7.881 -2.386 1.00 0.00 N ATOM 1597 CA VAL A 102 4.932 -8.208 -2.271 1.00 0.00 C ATOM 1598 C VAL A 102 5.150 -9.183 -1.127 1.00 0.00 C ATOM 1599 O VAL A 102 5.833 -10.198 -1.269 1.00 0.00 O ATOM 1600 CB VAL A 102 5.791 -6.954 -2.017 1.00 0.00 C ATOM 1601 CG1 VAL A 102 6.071 -6.220 -3.320 1.00 0.00 C ATOM 1602 CG2 VAL A 102 5.114 -6.037 -1.007 1.00 0.00 C ATOM 0 H VAL A 102 3.311 -7.059 -2.955 1.00 0.00 H new ATOM 0 HA VAL A 102 5.237 -8.654 -3.218 1.00 0.00 H new ATOM 0 HB VAL A 102 6.747 -7.270 -1.599 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.679 -5.338 -3.117 1.00 0.00 H new ATOM 0 HG12 VAL A 102 6.606 -6.881 -4.002 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.129 -5.915 -3.775 1.00 0.00 H new ATOM 0 HG21 VAL A 102 5.736 -5.157 -0.841 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.142 -5.727 -1.391 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.979 -6.569 -0.065 1.00 0.00 H new ATOM 1612 N THR A 103 4.545 -8.862 0.007 1.00 0.00 N ATOM 1613 CA THR A 103 4.633 -9.689 1.196 1.00 0.00 C ATOM 1614 C THR A 103 3.435 -9.415 2.093 1.00 0.00 C ATOM 1615 O THR A 103 3.510 -9.546 3.313 1.00 0.00 O ATOM 1616 CB THR A 103 5.935 -9.413 1.949 1.00 0.00 C ATOM 1617 OG1 THR A 103 5.702 -8.564 3.056 1.00 0.00 O ATOM 1618 CG2 THR A 103 6.997 -8.763 1.088 1.00 0.00 C ATOM 0 H THR A 103 3.980 -8.021 0.126 1.00 0.00 H new ATOM 0 HA THR A 103 4.629 -10.738 0.900 1.00 0.00 H new ATOM 0 HB THR A 103 6.297 -10.390 2.269 1.00 0.00 H new ATOM 0 HG1 THR A 103 5.023 -8.965 3.638 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.895 -8.594 1.683 1.00 0.00 H new ATOM 0 HG22 THR A 103 7.235 -9.416 0.249 1.00 0.00 H new ATOM 0 HG23 THR A 103 6.627 -7.809 0.712 1.00 0.00 H new ATOM 1626 N ARG A 104 2.330 -9.021 1.462 1.00 0.00 N ATOM 1627 CA ARG A 104 1.099 -8.711 2.179 1.00 0.00 C ATOM 1628 C ARG A 104 1.349 -7.656 3.250 1.00 0.00 C ATOM 1629 O ARG A 104 1.579 -7.985 4.413 1.00 0.00 O ATOM 1630 CB ARG A 104 0.517 -9.981 2.806 1.00 0.00 C ATOM 1631 CG ARG A 104 0.993 -10.245 4.227 1.00 0.00 C ATOM 1632 CD ARG A 104 0.667 -11.662 4.669 1.00 0.00 C ATOM 1633 NE ARG A 104 1.714 -12.226 5.516 1.00 0.00 N ATOM 1634 CZ ARG A 104 1.900 -11.881 6.785 1.00 0.00 C ATOM 1635 NH1 ARG A 104 1.112 -10.979 7.352 1.00 0.00 N ATOM 1636 NH2 ARG A 104 2.875 -12.440 7.490 1.00 0.00 N ATOM 0 H ARG A 104 2.265 -8.909 0.450 1.00 0.00 H new ATOM 0 HA ARG A 104 0.378 -8.310 1.467 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -0.571 -9.908 2.806 1.00 0.00 H new ATOM 0 HB3 ARG A 104 0.779 -10.835 2.182 1.00 0.00 H new ATOM 0 HG2 ARG A 104 2.069 -10.082 4.288 1.00 0.00 H new ATOM 0 HG3 ARG A 104 0.524 -9.534 4.907 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -0.278 -11.664 5.212 1.00 0.00 H new ATOM 0 HD3 ARG A 104 0.532 -12.293 3.791 1.00 0.00 H new ATOM 0 HE ARG A 104 2.337 -12.924 5.110 1.00 0.00 H new ATOM 0 HH11 ARG A 104 0.360 -10.548 6.814 1.00 0.00 H new ATOM 0 HH12 ARG A 104 1.257 -10.716 8.327 1.00 0.00 H new ATOM 0 HH21 ARG A 104 3.483 -13.136 7.058 1.00 0.00 H new ATOM 0 HH22 ARG A 104 3.017 -12.174 8.464 1.00 0.00 H new ATOM 1650 N LEU A 105 1.309 -6.384 2.857 1.00 0.00 N ATOM 1651 CA LEU A 105 1.540 -5.305 3.809 1.00 0.00 C ATOM 1652 C LEU A 105 2.353 -5.800 4.999 1.00 0.00 C ATOM 1653 O LEU A 105 1.911 -5.733 6.145 1.00 0.00 O ATOM 1654 CB LEU A 105 0.209 -4.692 4.262 1.00 0.00 C ATOM 1655 CG LEU A 105 -0.374 -3.639 3.317 1.00 0.00 C ATOM 1656 CD1 LEU A 105 0.575 -3.397 2.166 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -1.754 -4.013 2.799 1.00 0.00 C ATOM 0 H LEU A 105 1.122 -6.081 1.901 1.00 0.00 H new ATOM 0 HA LEU A 105 2.118 -4.525 3.313 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.520 -5.493 4.383 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.350 -4.239 5.243 1.00 0.00 H new ATOM 0 HG LEU A 105 -0.494 -2.721 3.892 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.153 -2.646 1.498 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.531 -3.043 2.551 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.726 -4.327 1.618 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.118 -3.230 2.134 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.695 -4.954 2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.440 -4.123 3.639 1.00 0.00 H new ATOM 1669 N ARG A 106 3.550 -6.303 4.713 1.00 0.00 N ATOM 1670 CA ARG A 106 4.435 -6.820 5.752 1.00 0.00 C ATOM 1671 C ARG A 106 4.831 -5.735 6.748 1.00 0.00 C ATOM 1672 O ARG A 106 5.012 -6.010 7.934 1.00 0.00 O ATOM 1673 CB ARG A 106 5.690 -7.426 5.125 1.00 0.00 C ATOM 1674 CG ARG A 106 6.946 -7.216 5.955 1.00 0.00 C ATOM 1675 CD ARG A 106 7.015 -8.191 7.118 1.00 0.00 C ATOM 1676 NE ARG A 106 8.367 -8.305 7.657 1.00 0.00 N ATOM 1677 CZ ARG A 106 8.710 -9.171 8.605 1.00 0.00 C ATOM 1678 NH1 ARG A 106 7.804 -9.991 9.117 1.00 0.00 N ATOM 1679 NH2 ARG A 106 9.961 -9.214 9.043 1.00 0.00 N ATOM 0 H ARG A 106 3.930 -6.364 3.768 1.00 0.00 H new ATOM 0 HA ARG A 106 3.888 -7.592 6.293 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.534 -8.495 4.981 1.00 0.00 H new ATOM 0 HB3 ARG A 106 5.840 -6.990 4.137 1.00 0.00 H new ATOM 0 HG2 ARG A 106 7.826 -7.339 5.323 1.00 0.00 H new ATOM 0 HG3 ARG A 106 6.966 -6.194 6.334 1.00 0.00 H new ATOM 0 HD2 ARG A 106 6.337 -7.864 7.906 1.00 0.00 H new ATOM 0 HD3 ARG A 106 6.672 -9.172 6.789 1.00 0.00 H new ATOM 0 HE ARG A 106 9.088 -7.686 7.286 1.00 0.00 H new ATOM 0 HH11 ARG A 106 6.841 -9.959 8.784 1.00 0.00 H new ATOM 0 HH12 ARG A 106 8.070 -10.655 9.844 1.00 0.00 H new ATOM 0 HH21 ARG A 106 10.660 -8.582 8.652 1.00 0.00 H new ATOM 0 HH22 ARG A 106 10.224 -9.879 9.771 1.00 0.00 H new ATOM 1693 N TYR A 107 4.978 -4.504 6.266 1.00 0.00 N ATOM 1694 CA TYR A 107 5.367 -3.397 7.135 1.00 0.00 C ATOM 1695 C TYR A 107 5.170 -2.047 6.454 1.00 0.00 C ATOM 1696 O TYR A 107 5.953 -1.656 5.588 1.00 0.00 O ATOM 1697 CB TYR A 107 6.825 -3.544 7.560 1.00 0.00 C ATOM 1698 CG TYR A 107 7.226 -2.558 8.629 1.00 0.00 C ATOM 1699 CD1 TYR A 107 6.934 -2.803 9.962 1.00 0.00 C ATOM 1700 CD2 TYR A 107 7.884 -1.380 8.304 1.00 0.00 C ATOM 1701 CE1 TYR A 107 7.289 -1.901 10.944 1.00 0.00 C ATOM 1702 CE2 TYR A 107 8.245 -0.474 9.281 1.00 0.00 C ATOM 1703 CZ TYR A 107 7.944 -0.738 10.599 1.00 0.00 C ATOM 1704 OH TYR A 107 8.300 0.163 11.576 1.00 0.00 O ATOM 0 H TYR A 107 4.835 -4.249 5.289 1.00 0.00 H new ATOM 0 HA TYR A 107 4.723 -3.433 8.013 1.00 0.00 H new ATOM 0 HB2 TYR A 107 6.991 -4.557 7.926 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.467 -3.410 6.690 1.00 0.00 H new ATOM 0 HD1 TYR A 107 6.421 -3.713 10.236 1.00 0.00 H new ATOM 0 HD2 TYR A 107 8.117 -1.169 7.271 1.00 0.00 H new ATOM 0 HE1 TYR A 107 7.055 -2.105 11.978 1.00 0.00 H new ATOM 0 HE2 TYR A 107 8.760 0.437 9.014 1.00 0.00 H new ATOM 0 HH TYR A 107 7.811 1.002 11.441 1.00 0.00 H new ATOM 1714 N PRO A 108 4.123 -1.314 6.851 1.00 0.00 N ATOM 1715 CA PRO A 108 3.817 0.007 6.295 1.00 0.00 C ATOM 1716 C PRO A 108 4.950 1.015 6.521 1.00 0.00 C ATOM 1717 O PRO A 108 5.651 0.957 7.531 1.00 0.00 O ATOM 1718 CB PRO A 108 2.551 0.431 7.047 1.00 0.00 C ATOM 1719 CG PRO A 108 2.516 -0.414 8.270 1.00 0.00 C ATOM 1720 CD PRO A 108 3.152 -1.713 7.883 1.00 0.00 C ATOM 0 HA PRO A 108 3.688 -0.028 5.213 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.582 1.490 7.302 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.661 0.276 6.437 1.00 0.00 H new ATOM 0 HG2 PRO A 108 3.059 0.059 9.088 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.492 -0.566 8.612 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.640 -2.192 8.732 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.419 -2.421 7.495 1.00 0.00 H new ATOM 1728 N VAL A 109 5.128 1.937 5.572 1.00 0.00 N ATOM 1729 CA VAL A 109 6.168 2.949 5.666 1.00 0.00 C ATOM 1730 C VAL A 109 5.560 4.339 5.712 1.00 0.00 C ATOM 1731 O VAL A 109 4.471 4.569 5.185 1.00 0.00 O ATOM 1732 CB VAL A 109 7.138 2.893 4.472 1.00 0.00 C ATOM 1733 CG1 VAL A 109 8.466 2.297 4.890 1.00 0.00 C ATOM 1734 CG2 VAL A 109 6.531 2.116 3.318 1.00 0.00 C ATOM 0 H VAL A 109 4.559 1.999 4.728 1.00 0.00 H new ATOM 0 HA VAL A 109 6.718 2.741 6.584 1.00 0.00 H new ATOM 0 HB VAL A 109 7.318 3.912 4.130 1.00 0.00 H new ATOM 0 HG11 VAL A 109 9.137 2.266 4.032 1.00 0.00 H new ATOM 0 HG12 VAL A 109 8.909 2.910 5.675 1.00 0.00 H new ATOM 0 HG13 VAL A 109 8.309 1.285 5.264 1.00 0.00 H new ATOM 0 HG21 VAL A 109 7.235 2.090 2.486 1.00 0.00 H new ATOM 0 HG22 VAL A 109 6.312 1.098 3.640 1.00 0.00 H new ATOM 0 HG23 VAL A 109 5.609 2.601 2.998 1.00 0.00 H new ATOM 1744 N CYS A 110 6.267 5.266 6.335 1.00 0.00 N ATOM 1745 CA CYS A 110 5.790 6.632 6.432 1.00 0.00 C ATOM 1746 C CYS A 110 6.950 7.613 6.339 1.00 0.00 C ATOM 1747 O CYS A 110 7.516 8.030 7.350 1.00 0.00 O ATOM 1748 CB CYS A 110 5.018 6.830 7.735 1.00 0.00 C ATOM 1749 SG CYS A 110 6.060 7.112 9.184 1.00 0.00 S ATOM 0 H CYS A 110 7.170 5.097 6.779 1.00 0.00 H new ATOM 0 HA CYS A 110 5.116 6.825 5.597 1.00 0.00 H new ATOM 0 HB2 CYS A 110 4.343 7.677 7.618 1.00 0.00 H new ATOM 0 HB3 CYS A 110 4.399 5.951 7.913 1.00 0.00 H new ATOM 0 HG CYS A 110 7.165 7.691 8.818 1.00 0.00 H new ATOM 1755 N GLY A 111 7.293 7.973 5.112 1.00 0.00 N ATOM 1756 CA GLY A 111 8.385 8.904 4.886 1.00 0.00 C ATOM 1757 C GLY A 111 7.969 10.089 4.037 1.00 0.00 C ATOM 1758 O GLY A 111 6.824 10.171 3.594 1.00 0.00 O ATOM 0 H GLY A 111 6.835 7.638 4.265 1.00 0.00 H new ATOM 0 HA2 GLY A 111 8.758 9.262 5.846 1.00 0.00 H new ATOM 0 HA3 GLY A 111 9.208 8.382 4.398 1.00 0.00 H new HETATM 1762 N NH2 A 112 8.894 11.014 3.808 1.00 0.00 N TER 1765 NH2 A 112