USER MOD reduce.3.24.130724 H: found=0, std=0, add=1187, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1185 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 114 MET CE :methyl -119:sc= -1.16 (180deg=-3.79!) USER MOD Set 1.2: A 118 GLN : amide:sc= -3.55 K(o=-4.7,f=-7.9!) USER MOD Set 2.1: A 98 ASN : amide:sc= 0.148 K(o=-0.02,f=-5.4!) USER MOD Set 2.2: A 100 THR OG1 : rot 180:sc= -0.167 USER MOD Set 3.1: A 75 SER OG : rot 140:sc= 0 USER MOD Set 3.2: A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 55 CYS SG : rot 64:sc= -3.22! USER MOD Set 4.2: A 84 GLN : amide:sc= -0.0337 K(o=-3.3,f=-4.5) USER MOD Set 5.1: A 49 LYS NZ :NH3+ 162:sc= 0 (180deg=0) USER MOD Set 5.2: A 81 GLN : amide:sc= -5.08! C(o=-5.1!,f=-5.8!) USER MOD Set 6.1: A 38 GLN :FLIP amide:sc= -1.6 X(o=-5.4!,f=-5.4) USER MOD Set 6.2: A 43 ASN :FLIP amide:sc= -3.77! C(o=-7.3!,f=-5.4!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00156 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc=-0.00424 K(o=-0.0042,f=-0.75) USER MOD Single : A 9 LYS NZ :NH3+ -119:sc= 0.195 (180deg=-0.472) USER MOD Single : A 12 LYS NZ :NH3+ -136:sc= -0.286 (180deg=-3.18!) USER MOD Single : A 13 GLN : amide:sc= -0.0303 X(o=-0.03,f=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc=-0.00964 K(o=-0.0096,f=-0.88) USER MOD Single : A 24 GLN : amide:sc=-0.00272 X(o=-0.0027,f=0) USER MOD Single : A 27 THR OG1 : rot -101:sc= 1.22 USER MOD Single : A 28 THR OG1 : rot 74:sc= 1.16 USER MOD Single : A 29 GLN :FLIP amide:sc= -4.17! F(o=-5.1,f=-4.2!) USER MOD Single : A 30 CYS SG : rot -102:sc= -0.916 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN :FLIP amide:sc= -3.66! C(o=-4.3!,f=-3.7!) USER MOD Single : A 46 ASN : amide:sc= -0.0538 K(o=-0.054,f=-1.2!) USER MOD Single : A 52 THR OG1 : rot -48:sc= 0.583 USER MOD Single : A 59 ASN : amide:sc= -8.17! C(o=-8.2!,f=-13!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 GLN :FLIP amide:sc= -4.16! C(o=-5.3!,f=-4.2!) USER MOD Single : A 70 LYS NZ :NH3+ 160:sc= -0.0912 (180deg=-0.482) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.0574 X(o=-0.057,f=-0.057) USER MOD Single : A 76 THR OG1 : rot 48:sc= -0.24! USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -132:sc= -5.08! (180deg=-9.12!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 90 GLN : amide:sc= -0.159 X(o=-0.16,f=0) USER MOD Single : A 95 TYR OH : rot -100:sc= -0.143 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 105 THR OG1 : rot 180:sc=0.000188 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc= -0.122 K(o=-0.12,f=-1.1!) USER MOD Single : A 116 CYS SG : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot -39:sc= 0.99 USER MOD Single : A 122 MET CE :methyl -123:sc= -2.09 (180deg=-5.91!) USER MOD Single : A 123 ASN : amide:sc=-0.00706 X(o=-0.0071,f=-0.32) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 141 ASN : amide:sc= 0.0328 X(o=0.033,f=-0.00011) USER MOD Single : A 145 LYS NZ :NH3+ 164:sc= -0.0101 (180deg=-0.133) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 148 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.274) USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 154 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.769 5.841 -18.193 1.00 0.00 N ATOM 2 CA GLY A 1 -16.386 4.634 -18.713 1.00 0.00 C ATOM 3 C GLY A 1 -16.804 3.677 -17.615 1.00 0.00 C ATOM 4 O GLY A 1 -17.435 4.081 -16.638 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.501 6.462 -18.983 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.443 6.337 -17.576 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.920 5.590 -17.647 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.259 4.903 -19.308 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.687 4.132 -19.382 1.00 0.00 H new ATOM 8 N SER A 2 -16.454 2.405 -17.775 1.00 0.00 N ATOM 9 CA SER A 2 -16.802 1.387 -16.792 1.00 0.00 C ATOM 10 C SER A 2 -18.164 1.676 -16.168 1.00 0.00 C ATOM 11 O SER A 2 -18.346 1.545 -14.958 1.00 0.00 O ATOM 12 CB SER A 2 -15.733 1.316 -15.699 1.00 0.00 C ATOM 13 OG SER A 2 -15.659 2.534 -14.979 1.00 0.00 O ATOM 0 H SER A 2 -15.929 2.055 -18.577 1.00 0.00 H new ATOM 0 HA SER A 2 -16.853 0.426 -17.304 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.961 0.499 -15.015 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.764 1.095 -16.147 1.00 0.00 H new ATOM 0 HG SER A 2 -14.970 2.463 -14.286 1.00 0.00 H new ATOM 19 N SER A 3 -19.119 2.071 -17.005 1.00 0.00 N ATOM 20 CA SER A 3 -20.464 2.384 -16.537 1.00 0.00 C ATOM 21 C SER A 3 -21.501 1.521 -17.249 1.00 0.00 C ATOM 22 O SER A 3 -21.674 1.614 -18.463 1.00 0.00 O ATOM 23 CB SER A 3 -20.774 3.865 -16.762 1.00 0.00 C ATOM 24 OG SER A 3 -22.022 4.217 -16.191 1.00 0.00 O ATOM 0 H SER A 3 -18.986 2.182 -18.010 1.00 0.00 H new ATOM 0 HA SER A 3 -20.510 2.170 -15.469 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.985 4.476 -16.324 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.786 4.079 -17.831 1.00 0.00 H new ATOM 0 HG SER A 3 -22.196 5.169 -16.347 1.00 0.00 H new ATOM 30 N GLY A 4 -22.189 0.680 -16.483 1.00 0.00 N ATOM 31 CA GLY A 4 -23.201 -0.188 -17.056 1.00 0.00 C ATOM 32 C GLY A 4 -23.398 -1.458 -16.254 1.00 0.00 C ATOM 33 O GLY A 4 -22.453 -1.979 -15.661 1.00 0.00 O ATOM 0 H GLY A 4 -22.063 0.584 -15.475 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -24.147 0.351 -17.115 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.918 -0.447 -18.076 1.00 0.00 H new ATOM 37 N SER A 5 -24.630 -1.958 -16.232 1.00 0.00 N ATOM 38 CA SER A 5 -24.949 -3.172 -15.491 1.00 0.00 C ATOM 39 C SER A 5 -24.984 -4.382 -16.420 1.00 0.00 C ATOM 40 O SER A 5 -25.868 -5.233 -16.316 1.00 0.00 O ATOM 41 CB SER A 5 -26.295 -3.022 -14.780 1.00 0.00 C ATOM 42 OG SER A 5 -26.145 -2.351 -13.541 1.00 0.00 O ATOM 0 H SER A 5 -25.423 -1.541 -16.719 1.00 0.00 H new ATOM 0 HA SER A 5 -24.168 -3.329 -14.747 1.00 0.00 H new ATOM 0 HB2 SER A 5 -26.986 -2.468 -15.416 1.00 0.00 H new ATOM 0 HB3 SER A 5 -26.734 -4.006 -14.614 1.00 0.00 H new ATOM 0 HG SER A 5 -27.020 -2.266 -13.107 1.00 0.00 H new ATOM 48 N SER A 6 -24.016 -4.451 -17.328 1.00 0.00 N ATOM 49 CA SER A 6 -23.937 -5.554 -18.279 1.00 0.00 C ATOM 50 C SER A 6 -22.638 -6.334 -18.099 1.00 0.00 C ATOM 51 O SER A 6 -21.693 -5.853 -17.475 1.00 0.00 O ATOM 52 CB SER A 6 -24.035 -5.028 -19.712 1.00 0.00 C ATOM 53 OG SER A 6 -25.377 -4.726 -20.053 1.00 0.00 O ATOM 0 H SER A 6 -23.275 -3.756 -17.425 1.00 0.00 H new ATOM 0 HA SER A 6 -24.774 -6.226 -18.089 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.420 -4.135 -19.818 1.00 0.00 H new ATOM 0 HB3 SER A 6 -23.639 -5.772 -20.404 1.00 0.00 H new ATOM 0 HG SER A 6 -25.413 -4.390 -20.973 1.00 0.00 H new ATOM 59 N GLY A 7 -22.599 -7.542 -18.653 1.00 0.00 N ATOM 60 CA GLY A 7 -21.412 -8.370 -18.544 1.00 0.00 C ATOM 61 C GLY A 7 -21.360 -9.139 -17.238 1.00 0.00 C ATOM 62 O GLY A 7 -22.014 -8.765 -16.265 1.00 0.00 O ATOM 0 H GLY A 7 -23.368 -7.962 -19.175 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.385 -9.072 -19.377 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.525 -7.742 -18.628 1.00 0.00 H new ATOM 66 N GLN A 8 -20.581 -10.216 -17.218 1.00 0.00 N ATOM 67 CA GLN A 8 -20.448 -11.040 -16.022 1.00 0.00 C ATOM 68 C GLN A 8 -19.180 -10.683 -15.253 1.00 0.00 C ATOM 69 O GLN A 8 -19.197 -10.565 -14.028 1.00 0.00 O ATOM 70 CB GLN A 8 -20.431 -12.522 -16.398 1.00 0.00 C ATOM 71 CG GLN A 8 -21.671 -12.972 -17.154 1.00 0.00 C ATOM 72 CD GLN A 8 -21.770 -14.481 -17.268 1.00 0.00 C ATOM 73 OE1 GLN A 8 -21.438 -15.209 -16.331 1.00 0.00 O ATOM 74 NE2 GLN A 8 -22.227 -14.960 -18.419 1.00 0.00 N ATOM 0 H GLN A 8 -20.033 -10.538 -18.016 1.00 0.00 H new ATOM 0 HA GLN A 8 -21.307 -10.845 -15.380 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -19.551 -12.723 -17.008 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -20.333 -13.118 -15.490 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -22.558 -12.591 -16.649 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -21.661 -12.536 -18.153 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -22.491 -14.321 -19.169 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -22.314 -15.967 -18.553 1.00 0.00 H new ATOM 83 N LYS A 9 -18.081 -10.514 -15.981 1.00 0.00 N ATOM 84 CA LYS A 9 -16.803 -10.170 -15.368 1.00 0.00 C ATOM 85 C LYS A 9 -16.094 -9.079 -16.165 1.00 0.00 C ATOM 86 O LYS A 9 -16.249 -8.988 -17.383 1.00 0.00 O ATOM 87 CB LYS A 9 -15.910 -11.410 -15.274 1.00 0.00 C ATOM 88 CG LYS A 9 -16.331 -12.381 -14.184 1.00 0.00 C ATOM 89 CD LYS A 9 -15.806 -11.954 -12.824 1.00 0.00 C ATOM 90 CE LYS A 9 -16.591 -12.603 -11.694 1.00 0.00 C ATOM 91 NZ LYS A 9 -18.001 -12.125 -11.653 1.00 0.00 N ATOM 0 H LYS A 9 -18.050 -10.610 -16.996 1.00 0.00 H new ATOM 0 HA LYS A 9 -16.999 -9.793 -14.364 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -15.919 -11.927 -16.233 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -14.883 -11.095 -15.091 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -17.419 -12.444 -14.152 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -15.961 -13.378 -14.421 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -14.753 -12.223 -12.738 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -15.866 -10.869 -12.734 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -16.578 -13.686 -11.818 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -16.106 -12.385 -10.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -18.182 -11.657 -10.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -18.161 -11.450 -12.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -18.645 -12.934 -11.760 1.00 0.00 H new ATOM 105 N ILE A 10 -15.317 -8.257 -15.469 1.00 0.00 N ATOM 106 CA ILE A 10 -14.582 -7.174 -16.113 1.00 0.00 C ATOM 107 C ILE A 10 -13.200 -7.637 -16.559 1.00 0.00 C ATOM 108 O ILE A 10 -12.481 -8.293 -15.806 1.00 0.00 O ATOM 109 CB ILE A 10 -14.428 -5.963 -15.174 1.00 0.00 C ATOM 110 CG1 ILE A 10 -15.802 -5.433 -14.759 1.00 0.00 C ATOM 111 CG2 ILE A 10 -13.614 -4.870 -15.850 1.00 0.00 C ATOM 112 CD1 ILE A 10 -15.754 -4.490 -13.578 1.00 0.00 C ATOM 0 H ILE A 10 -15.180 -8.319 -14.460 1.00 0.00 H new ATOM 0 HA ILE A 10 -15.161 -6.875 -16.987 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.898 -6.282 -14.277 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -16.255 -4.918 -15.606 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -16.449 -6.276 -14.515 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -13.514 -4.021 -15.174 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -12.625 -5.254 -16.099 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -14.120 -4.551 -16.761 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -16.763 -4.154 -13.339 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -15.330 -5.007 -12.717 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -15.134 -3.628 -13.825 1.00 0.00 H new ATOM 124 N GLU A 11 -12.834 -7.290 -17.789 1.00 0.00 N ATOM 125 CA GLU A 11 -11.536 -7.669 -18.335 1.00 0.00 C ATOM 126 C GLU A 11 -10.457 -6.676 -17.913 1.00 0.00 C ATOM 127 O GLU A 11 -9.273 -7.011 -17.866 1.00 0.00 O ATOM 128 CB GLU A 11 -11.603 -7.748 -19.862 1.00 0.00 C ATOM 129 CG GLU A 11 -11.721 -6.392 -20.537 1.00 0.00 C ATOM 130 CD GLU A 11 -13.161 -5.957 -20.725 1.00 0.00 C ATOM 131 OE1 GLU A 11 -14.003 -6.818 -21.054 1.00 0.00 O ATOM 132 OE2 GLU A 11 -13.445 -4.754 -20.542 1.00 0.00 O ATOM 0 H GLU A 11 -13.418 -6.747 -18.426 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.277 -8.651 -17.939 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.709 -8.252 -20.231 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -12.456 -8.363 -20.149 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -11.195 -5.646 -19.940 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -11.227 -6.430 -21.508 1.00 0.00 H new ATOM 139 N LYS A 12 -10.874 -5.452 -17.607 1.00 0.00 N ATOM 140 CA LYS A 12 -9.946 -4.409 -17.189 1.00 0.00 C ATOM 141 C LYS A 12 -9.412 -4.686 -15.787 1.00 0.00 C ATOM 142 O LYS A 12 -10.164 -4.666 -14.812 1.00 0.00 O ATOM 143 CB LYS A 12 -10.633 -3.042 -17.224 1.00 0.00 C ATOM 144 CG LYS A 12 -9.680 -1.877 -17.017 1.00 0.00 C ATOM 145 CD LYS A 12 -10.245 -0.587 -17.588 1.00 0.00 C ATOM 146 CE LYS A 12 -11.153 0.114 -16.589 1.00 0.00 C ATOM 147 NZ LYS A 12 -10.375 0.855 -15.557 1.00 0.00 N ATOM 0 H LYS A 12 -11.850 -5.158 -17.641 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.107 -4.404 -17.884 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.137 -2.922 -18.183 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.403 -3.012 -16.453 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.485 -1.750 -15.952 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.724 -2.099 -17.492 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.427 0.078 -17.867 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.803 -0.805 -18.498 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.808 0.807 -17.117 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.794 -0.621 -16.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.790 0.682 -14.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.388 0.528 -15.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.404 1.873 -15.766 1.00 0.00 H new ATOM 161 N GLN A 13 -8.112 -4.943 -15.693 1.00 0.00 N ATOM 162 CA GLN A 13 -7.479 -5.223 -14.410 1.00 0.00 C ATOM 163 C GLN A 13 -8.131 -4.414 -13.294 1.00 0.00 C ATOM 164 O GLN A 13 -8.551 -4.967 -12.276 1.00 0.00 O ATOM 165 CB GLN A 13 -5.983 -4.910 -14.476 1.00 0.00 C ATOM 166 CG GLN A 13 -5.190 -5.903 -15.309 1.00 0.00 C ATOM 167 CD GLN A 13 -3.896 -5.317 -15.841 1.00 0.00 C ATOM 168 OE1 GLN A 13 -2.806 -5.738 -15.454 1.00 0.00 O ATOM 169 NE2 GLN A 13 -4.011 -4.341 -16.733 1.00 0.00 N ATOM 0 H GLN A 13 -7.476 -4.963 -16.490 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.612 -6.283 -14.191 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.847 -3.911 -14.890 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -5.579 -4.893 -13.464 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.965 -6.781 -14.704 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.802 -6.241 -16.145 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.935 -4.023 -17.025 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.175 -3.909 -17.126 1.00 0.00 H new ATOM 178 N TYR A 14 -8.213 -3.103 -13.490 1.00 0.00 N ATOM 179 CA TYR A 14 -8.811 -2.217 -12.499 1.00 0.00 C ATOM 180 C TYR A 14 -10.070 -2.840 -11.901 1.00 0.00 C ATOM 181 O TYR A 14 -10.873 -3.445 -12.610 1.00 0.00 O ATOM 182 CB TYR A 14 -9.148 -0.865 -13.129 1.00 0.00 C ATOM 183 CG TYR A 14 -9.952 0.042 -12.224 1.00 0.00 C ATOM 184 CD1 TYR A 14 -11.338 -0.034 -12.186 1.00 0.00 C ATOM 185 CD2 TYR A 14 -9.324 0.974 -11.407 1.00 0.00 C ATOM 186 CE1 TYR A 14 -12.076 0.793 -11.361 1.00 0.00 C ATOM 187 CE2 TYR A 14 -10.054 1.804 -10.579 1.00 0.00 C ATOM 188 CZ TYR A 14 -11.430 1.710 -10.559 1.00 0.00 C ATOM 189 OH TYR A 14 -12.161 2.535 -9.736 1.00 0.00 O ATOM 0 H TYR A 14 -7.872 -2.630 -14.327 1.00 0.00 H new ATOM 0 HA TYR A 14 -8.086 -2.066 -11.699 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.222 -0.361 -13.404 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -9.706 -1.032 -14.050 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -11.848 -0.752 -12.812 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.247 1.051 -11.420 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -13.154 0.722 -11.344 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -9.550 2.523 -9.950 1.00 0.00 H new ATOM 0 HH TYR A 14 -11.554 3.121 -9.237 1.00 0.00 H new ATOM 199 N ASP A 15 -10.233 -2.685 -10.592 1.00 0.00 N ATOM 200 CA ASP A 15 -11.394 -3.230 -9.897 1.00 0.00 C ATOM 201 C ASP A 15 -12.230 -2.114 -9.278 1.00 0.00 C ATOM 202 O ASP A 15 -11.692 -1.158 -8.721 1.00 0.00 O ATOM 203 CB ASP A 15 -10.951 -4.213 -8.812 1.00 0.00 C ATOM 204 CG ASP A 15 -9.608 -3.845 -8.211 1.00 0.00 C ATOM 205 OD1 ASP A 15 -9.505 -2.752 -7.617 1.00 0.00 O ATOM 206 OD2 ASP A 15 -8.661 -4.650 -8.335 1.00 0.00 O ATOM 0 H ASP A 15 -9.577 -2.187 -9.991 1.00 0.00 H new ATOM 0 HA ASP A 15 -12.008 -3.758 -10.626 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.703 -4.242 -8.023 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -10.894 -5.216 -9.236 1.00 0.00 H new ATOM 211 N ALA A 16 -13.549 -2.243 -9.382 1.00 0.00 N ATOM 212 CA ALA A 16 -14.459 -1.246 -8.832 1.00 0.00 C ATOM 213 C ALA A 16 -14.991 -1.680 -7.471 1.00 0.00 C ATOM 214 O ALA A 16 -15.056 -0.882 -6.536 1.00 0.00 O ATOM 215 CB ALA A 16 -15.610 -0.995 -9.795 1.00 0.00 C ATOM 0 H ALA A 16 -14.011 -3.028 -9.842 1.00 0.00 H new ATOM 0 HA ALA A 16 -13.903 -0.318 -8.696 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -16.282 -0.248 -9.372 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.217 -0.633 -10.745 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -16.156 -1.924 -9.959 1.00 0.00 H new ATOM 221 N ASP A 17 -15.371 -2.949 -7.366 1.00 0.00 N ATOM 222 CA ASP A 17 -15.898 -3.489 -6.118 1.00 0.00 C ATOM 223 C ASP A 17 -14.817 -3.522 -5.042 1.00 0.00 C ATOM 224 O ASP A 17 -15.116 -3.599 -3.850 1.00 0.00 O ATOM 225 CB ASP A 17 -16.456 -4.895 -6.342 1.00 0.00 C ATOM 226 CG ASP A 17 -17.363 -5.344 -5.213 1.00 0.00 C ATOM 227 OD1 ASP A 17 -16.841 -5.847 -4.197 1.00 0.00 O ATOM 228 OD2 ASP A 17 -18.596 -5.194 -5.347 1.00 0.00 O ATOM 0 H ASP A 17 -15.324 -3.623 -8.130 1.00 0.00 H new ATOM 0 HA ASP A 17 -16.703 -2.837 -5.779 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -17.010 -4.918 -7.280 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -15.630 -5.599 -6.443 1.00 0.00 H new ATOM 233 N LEU A 18 -13.561 -3.465 -5.470 1.00 0.00 N ATOM 234 CA LEU A 18 -12.435 -3.489 -4.543 1.00 0.00 C ATOM 235 C LEU A 18 -12.018 -2.074 -4.155 1.00 0.00 C ATOM 236 O LEU A 18 -11.661 -1.816 -3.006 1.00 0.00 O ATOM 237 CB LEU A 18 -11.250 -4.228 -5.169 1.00 0.00 C ATOM 238 CG LEU A 18 -11.446 -5.725 -5.413 1.00 0.00 C ATOM 239 CD1 LEU A 18 -10.444 -6.234 -6.438 1.00 0.00 C ATOM 240 CD2 LEU A 18 -11.318 -6.499 -4.109 1.00 0.00 C ATOM 0 H LEU A 18 -13.296 -3.402 -6.453 1.00 0.00 H new ATOM 0 HA LEU A 18 -12.750 -4.015 -3.642 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.013 -3.753 -6.121 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.383 -4.096 -4.522 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.450 -5.881 -5.808 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.598 -7.301 -6.599 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.583 -5.701 -7.379 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.431 -6.065 -6.072 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.460 -7.562 -4.302 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.327 -6.336 -3.685 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.075 -6.153 -3.405 1.00 0.00 H new ATOM 252 N GLU A 19 -12.070 -1.161 -5.120 1.00 0.00 N ATOM 253 CA GLU A 19 -11.700 0.228 -4.878 1.00 0.00 C ATOM 254 C GLU A 19 -12.449 0.788 -3.672 1.00 0.00 C ATOM 255 O GLU A 19 -11.839 1.279 -2.723 1.00 0.00 O ATOM 256 CB GLU A 19 -11.991 1.080 -6.114 1.00 0.00 C ATOM 257 CG GLU A 19 -11.791 2.569 -5.888 1.00 0.00 C ATOM 258 CD GLU A 19 -10.327 2.964 -5.863 1.00 0.00 C ATOM 259 OE1 GLU A 19 -9.621 2.566 -4.912 1.00 0.00 O ATOM 260 OE2 GLU A 19 -9.887 3.671 -6.794 1.00 0.00 O ATOM 0 H GLU A 19 -12.365 -1.359 -6.076 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.631 0.261 -4.668 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -11.345 0.755 -6.929 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -13.019 0.904 -6.432 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.300 3.124 -6.676 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.257 2.855 -4.945 1.00 0.00 H new ATOM 267 N GLN A 20 -13.775 0.712 -3.719 1.00 0.00 N ATOM 268 CA GLN A 20 -14.608 1.212 -2.632 1.00 0.00 C ATOM 269 C GLN A 20 -14.148 0.651 -1.291 1.00 0.00 C ATOM 270 O GLN A 20 -14.165 1.348 -0.276 1.00 0.00 O ATOM 271 CB GLN A 20 -16.074 0.848 -2.875 1.00 0.00 C ATOM 272 CG GLN A 20 -16.371 -0.632 -2.692 1.00 0.00 C ATOM 273 CD GLN A 20 -17.855 -0.938 -2.736 1.00 0.00 C ATOM 274 OE1 GLN A 20 -18.680 -0.134 -2.303 1.00 0.00 O ATOM 275 NE2 GLN A 20 -18.203 -2.107 -3.261 1.00 0.00 N ATOM 0 H GLN A 20 -14.295 0.309 -4.498 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.511 2.297 -2.604 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -16.700 1.423 -2.193 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -16.350 1.143 -3.887 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -15.863 -1.200 -3.472 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -15.963 -0.966 -1.738 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -17.486 -2.744 -3.608 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -19.187 -2.368 -3.317 1.00 0.00 H new ATOM 284 N ILE A 21 -13.736 -0.613 -1.294 1.00 0.00 N ATOM 285 CA ILE A 21 -13.271 -1.267 -0.077 1.00 0.00 C ATOM 286 C ILE A 21 -11.903 -0.739 0.342 1.00 0.00 C ATOM 287 O ILE A 21 -11.622 -0.584 1.531 1.00 0.00 O ATOM 288 CB ILE A 21 -13.186 -2.794 -0.256 1.00 0.00 C ATOM 289 CG1 ILE A 21 -14.571 -3.372 -0.554 1.00 0.00 C ATOM 290 CG2 ILE A 21 -12.593 -3.441 0.987 1.00 0.00 C ATOM 291 CD1 ILE A 21 -14.539 -4.812 -1.016 1.00 0.00 C ATOM 0 H ILE A 21 -13.715 -1.204 -2.125 1.00 0.00 H new ATOM 0 HA ILE A 21 -14.000 -1.040 0.701 1.00 0.00 H new ATOM 0 HB ILE A 21 -12.533 -3.010 -1.101 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -15.186 -3.300 0.343 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -15.052 -2.764 -1.320 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -12.539 -4.520 0.845 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -11.591 -3.048 1.159 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -13.223 -3.219 1.848 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -15.556 -5.155 -1.208 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -13.951 -4.888 -1.931 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -14.087 -5.432 -0.242 1.00 0.00 H new ATOM 303 N LEU A 22 -11.055 -0.462 -0.642 1.00 0.00 N ATOM 304 CA LEU A 22 -9.716 0.051 -0.377 1.00 0.00 C ATOM 305 C LEU A 22 -9.776 1.319 0.469 1.00 0.00 C ATOM 306 O LEU A 22 -9.200 1.380 1.556 1.00 0.00 O ATOM 307 CB LEU A 22 -8.987 0.336 -1.692 1.00 0.00 C ATOM 308 CG LEU A 22 -8.334 -0.868 -2.371 1.00 0.00 C ATOM 309 CD1 LEU A 22 -7.782 -0.478 -3.733 1.00 0.00 C ATOM 310 CD2 LEU A 22 -7.233 -1.444 -1.492 1.00 0.00 C ATOM 0 H LEU A 22 -11.271 -0.584 -1.631 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.167 -0.709 0.178 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.697 0.780 -2.389 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.216 1.083 -1.503 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.094 -1.636 -2.516 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.321 -1.348 -4.201 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.593 -0.114 -4.364 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.036 0.307 -3.612 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.779 -2.300 -1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.473 -0.683 -1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.657 -1.762 -0.539 1.00 0.00 H new ATOM 322 N ILE A 23 -10.478 2.328 -0.036 1.00 0.00 N ATOM 323 CA ILE A 23 -10.616 3.593 0.674 1.00 0.00 C ATOM 324 C ILE A 23 -11.092 3.370 2.106 1.00 0.00 C ATOM 325 O ILE A 23 -10.599 4.003 3.039 1.00 0.00 O ATOM 326 CB ILE A 23 -11.601 4.536 -0.041 1.00 0.00 C ATOM 327 CG1 ILE A 23 -11.109 4.845 -1.457 1.00 0.00 C ATOM 328 CG2 ILE A 23 -11.778 5.821 0.755 1.00 0.00 C ATOM 329 CD1 ILE A 23 -12.219 5.213 -2.416 1.00 0.00 C ATOM 0 H ILE A 23 -10.960 2.294 -0.934 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.629 4.056 0.689 1.00 0.00 H new ATOM 0 HB ILE A 23 -12.569 4.039 -0.112 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.392 5.664 -1.413 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.577 3.977 -1.846 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.477 6.477 0.236 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -12.168 5.585 1.745 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.816 6.323 0.855 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -11.797 5.419 -3.400 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -12.925 4.386 -2.490 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.736 6.100 -2.051 1.00 0.00 H new ATOM 341 N GLN A 24 -12.052 2.466 2.270 1.00 0.00 N ATOM 342 CA GLN A 24 -12.594 2.159 3.589 1.00 0.00 C ATOM 343 C GLN A 24 -11.505 1.629 4.515 1.00 0.00 C ATOM 344 O GLN A 24 -11.377 2.073 5.656 1.00 0.00 O ATOM 345 CB GLN A 24 -13.724 1.135 3.473 1.00 0.00 C ATOM 346 CG GLN A 24 -15.050 1.738 3.035 1.00 0.00 C ATOM 347 CD GLN A 24 -16.191 0.742 3.093 1.00 0.00 C ATOM 348 OE1 GLN A 24 -16.902 0.652 4.095 1.00 0.00 O ATOM 349 NE2 GLN A 24 -16.374 -0.013 2.017 1.00 0.00 N ATOM 0 H GLN A 24 -12.470 1.934 1.507 1.00 0.00 H new ATOM 0 HA GLN A 24 -12.990 3.081 4.015 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -13.432 0.364 2.760 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -13.858 0.644 4.437 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -15.285 2.591 3.671 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -14.954 2.116 2.017 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -15.762 0.094 1.208 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -17.127 -0.701 1.999 1.00 0.00 H new ATOM 358 N TRP A 25 -10.723 0.678 4.017 1.00 0.00 N ATOM 359 CA TRP A 25 -9.644 0.087 4.801 1.00 0.00 C ATOM 360 C TRP A 25 -8.565 1.120 5.106 1.00 0.00 C ATOM 361 O TRP A 25 -8.256 1.383 6.268 1.00 0.00 O ATOM 362 CB TRP A 25 -9.035 -1.101 4.055 1.00 0.00 C ATOM 363 CG TRP A 25 -7.800 -1.643 4.708 1.00 0.00 C ATOM 364 CD1 TRP A 25 -7.697 -2.152 5.971 1.00 0.00 C ATOM 365 CD2 TRP A 25 -6.492 -1.727 4.131 1.00 0.00 C ATOM 366 NE1 TRP A 25 -6.404 -2.548 6.214 1.00 0.00 N ATOM 367 CE2 TRP A 25 -5.645 -2.298 5.101 1.00 0.00 C ATOM 368 CE3 TRP A 25 -5.954 -1.377 2.890 1.00 0.00 C ATOM 369 CZ2 TRP A 25 -4.292 -2.525 4.866 1.00 0.00 C ATOM 370 CZ3 TRP A 25 -4.611 -1.602 2.658 1.00 0.00 C ATOM 371 CH2 TRP A 25 -3.792 -2.173 3.642 1.00 0.00 C ATOM 0 H TRP A 25 -10.816 0.300 3.074 1.00 0.00 H new ATOM 0 HA TRP A 25 -10.063 -0.263 5.745 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -9.778 -1.895 3.984 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -8.795 -0.797 3.036 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -8.512 -2.232 6.675 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -6.064 -2.961 7.082 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -6.577 -0.938 2.125 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -3.659 -2.964 5.623 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -4.185 -1.334 1.703 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -2.746 -2.338 3.430 1.00 0.00 H new ATOM 382 N ILE A 26 -7.994 1.701 4.056 1.00 0.00 N ATOM 383 CA ILE A 26 -6.950 2.705 4.213 1.00 0.00 C ATOM 384 C ILE A 26 -7.337 3.741 5.263 1.00 0.00 C ATOM 385 O ILE A 26 -6.591 3.990 6.211 1.00 0.00 O ATOM 386 CB ILE A 26 -6.656 3.424 2.883 1.00 0.00 C ATOM 387 CG1 ILE A 26 -6.241 2.413 1.812 1.00 0.00 C ATOM 388 CG2 ILE A 26 -5.571 4.473 3.077 1.00 0.00 C ATOM 389 CD1 ILE A 26 -6.247 2.981 0.410 1.00 0.00 C ATOM 0 H ILE A 26 -8.237 1.493 3.087 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.053 2.179 4.539 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.564 3.926 2.550 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -5.242 2.043 2.041 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.915 1.557 1.851 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.374 4.973 2.128 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.902 5.207 3.812 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.659 3.992 3.430 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -5.943 2.209 -0.297 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.251 3.325 0.161 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.552 3.819 0.354 1.00 0.00 H new ATOM 401 N THR A 27 -8.510 4.342 5.089 1.00 0.00 N ATOM 402 CA THR A 27 -8.997 5.350 6.022 1.00 0.00 C ATOM 403 C THR A 27 -9.135 4.778 7.428 1.00 0.00 C ATOM 404 O THR A 27 -9.212 5.521 8.408 1.00 0.00 O ATOM 405 CB THR A 27 -10.358 5.917 5.575 1.00 0.00 C ATOM 406 OG1 THR A 27 -11.272 4.847 5.313 1.00 0.00 O ATOM 407 CG2 THR A 27 -10.204 6.777 4.330 1.00 0.00 C ATOM 0 H THR A 27 -9.140 4.148 4.311 1.00 0.00 H new ATOM 0 HA THR A 27 -8.261 6.154 6.031 1.00 0.00 H new ATOM 0 HB THR A 27 -10.749 6.539 6.380 1.00 0.00 H new ATOM 0 HG1 THR A 27 -11.326 4.692 4.347 1.00 0.00 H new ATOM 0 HG21 THR A 27 -11.178 7.166 4.034 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.531 7.608 4.543 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.792 6.175 3.520 1.00 0.00 H new ATOM 415 N THR A 28 -9.164 3.453 7.523 1.00 0.00 N ATOM 416 CA THR A 28 -9.293 2.781 8.809 1.00 0.00 C ATOM 417 C THR A 28 -7.926 2.512 9.428 1.00 0.00 C ATOM 418 O THR A 28 -7.629 2.980 10.527 1.00 0.00 O ATOM 419 CB THR A 28 -10.053 1.448 8.674 1.00 0.00 C ATOM 420 OG1 THR A 28 -11.373 1.686 8.171 1.00 0.00 O ATOM 421 CG2 THR A 28 -10.138 0.735 10.015 1.00 0.00 C ATOM 0 H THR A 28 -9.100 2.823 6.723 1.00 0.00 H new ATOM 0 HA THR A 28 -9.859 3.449 9.458 1.00 0.00 H new ATOM 0 HB THR A 28 -9.507 0.813 7.977 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.325 1.910 7.218 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.679 -0.204 9.894 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.132 0.530 10.382 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.664 1.367 10.731 1.00 0.00 H new ATOM 429 N GLN A 29 -7.097 1.755 8.715 1.00 0.00 N ATOM 430 CA GLN A 29 -5.761 1.425 9.196 1.00 0.00 C ATOM 431 C GLN A 29 -5.059 2.662 9.746 1.00 0.00 C ATOM 432 O GLN A 29 -4.477 2.626 10.831 1.00 0.00 O ATOM 433 CB GLN A 29 -4.929 0.810 8.069 1.00 0.00 C ATOM 434 CG GLN A 29 -3.539 0.376 8.507 1.00 0.00 C ATOM 435 CD GLN A 29 -3.539 -0.306 9.861 1.00 0.00 C ATOM 436 OE1 GLN A 29 -3.434 -1.630 9.857 1.00 0.00 O flip ATOM 437 NE2 GLN A 29 -3.633 0.349 10.899 1.00 0.00 N flip ATOM 0 H GLN A 29 -7.327 1.359 7.803 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.861 0.699 10.003 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.460 -0.052 7.666 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.836 1.534 7.260 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.123 -0.303 7.763 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -2.885 1.247 8.544 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.712 1.365 10.856 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.632 -0.124 11.803 1.00 0.00 H new ATOM 446 N CYS A 30 -5.116 3.753 8.991 1.00 0.00 N ATOM 447 CA CYS A 30 -4.484 5.001 9.403 1.00 0.00 C ATOM 448 C CYS A 30 -4.916 5.390 10.813 1.00 0.00 C ATOM 449 O CYS A 30 -5.925 4.901 11.321 1.00 0.00 O ATOM 450 CB CYS A 30 -4.833 6.122 8.422 1.00 0.00 C ATOM 451 SG CYS A 30 -4.050 7.706 8.802 1.00 0.00 S ATOM 0 H CYS A 30 -5.593 3.799 8.091 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.404 4.850 9.402 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -4.540 5.816 7.418 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -5.915 6.257 8.411 1.00 0.00 H new ATOM 0 HG CYS A 30 -4.915 8.492 9.372 1.00 0.00 H new ATOM 457 N ARG A 31 -4.145 6.272 11.440 1.00 0.00 N ATOM 458 CA ARG A 31 -4.446 6.725 12.793 1.00 0.00 C ATOM 459 C ARG A 31 -5.310 7.983 12.766 1.00 0.00 C ATOM 460 O ARG A 31 -6.328 8.065 13.453 1.00 0.00 O ATOM 461 CB ARG A 31 -3.152 6.998 13.562 1.00 0.00 C ATOM 462 CG ARG A 31 -3.348 7.098 15.066 1.00 0.00 C ATOM 463 CD ARG A 31 -3.314 5.728 15.725 1.00 0.00 C ATOM 464 NE ARG A 31 -1.953 5.210 15.840 1.00 0.00 N ATOM 465 CZ ARG A 31 -1.639 4.116 16.524 1.00 0.00 C ATOM 466 NH1 ARG A 31 -2.583 3.428 17.151 1.00 0.00 N ATOM 467 NH2 ARG A 31 -0.378 3.707 16.582 1.00 0.00 N ATOM 0 H ARG A 31 -3.307 6.687 11.033 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.001 5.935 13.299 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.438 6.203 13.349 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.712 7.927 13.199 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.569 7.728 15.494 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.302 7.581 15.278 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.763 5.791 16.716 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.919 5.031 15.145 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.203 5.716 15.369 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.554 3.739 17.109 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.339 2.588 17.676 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.351 4.233 16.101 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.138 2.867 17.108 1.00 0.00 H new ATOM 481 N LYS A 32 -4.896 8.961 11.967 1.00 0.00 N ATOM 482 CA LYS A 32 -5.631 10.215 11.849 1.00 0.00 C ATOM 483 C LYS A 32 -6.361 10.293 10.512 1.00 0.00 C ATOM 484 O LYS A 32 -5.962 9.655 9.538 1.00 0.00 O ATOM 485 CB LYS A 32 -4.677 11.404 11.992 1.00 0.00 C ATOM 486 CG LYS A 32 -3.627 11.476 10.897 1.00 0.00 C ATOM 487 CD LYS A 32 -4.137 12.235 9.684 1.00 0.00 C ATOM 488 CE LYS A 32 -3.003 12.930 8.945 1.00 0.00 C ATOM 489 NZ LYS A 32 -2.708 14.272 9.518 1.00 0.00 N ATOM 0 H LYS A 32 -4.055 8.909 11.392 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.370 10.252 12.649 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.257 12.327 11.989 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.178 11.344 12.959 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.731 11.963 11.282 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.339 10.467 10.601 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.644 11.546 9.009 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.874 12.974 9.999 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.107 12.311 8.990 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.266 13.034 7.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.930 14.713 8.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.555 14.871 9.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.432 14.171 10.516 1.00 0.00 H new ATOM 503 N ASP A 33 -7.431 11.079 10.474 1.00 0.00 N ATOM 504 CA ASP A 33 -8.216 11.243 9.255 1.00 0.00 C ATOM 505 C ASP A 33 -7.464 12.092 8.235 1.00 0.00 C ATOM 506 O ASP A 33 -7.458 13.320 8.317 1.00 0.00 O ATOM 507 CB ASP A 33 -9.567 11.885 9.576 1.00 0.00 C ATOM 508 CG ASP A 33 -10.346 11.106 10.616 1.00 0.00 C ATOM 509 OD1 ASP A 33 -11.025 10.128 10.239 1.00 0.00 O ATOM 510 OD2 ASP A 33 -10.278 11.474 11.808 1.00 0.00 O ATOM 0 H ASP A 33 -7.775 11.613 11.272 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.385 10.256 8.825 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.407 12.902 9.933 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.158 11.957 8.663 1.00 0.00 H new ATOM 515 N VAL A 34 -6.831 11.428 7.273 1.00 0.00 N ATOM 516 CA VAL A 34 -6.076 12.121 6.236 1.00 0.00 C ATOM 517 C VAL A 34 -7.001 12.916 5.321 1.00 0.00 C ATOM 518 O VAL A 34 -6.555 13.785 4.573 1.00 0.00 O ATOM 519 CB VAL A 34 -5.254 11.135 5.385 1.00 0.00 C ATOM 520 CG1 VAL A 34 -4.069 10.604 6.179 1.00 0.00 C ATOM 521 CG2 VAL A 34 -6.133 9.993 4.896 1.00 0.00 C ATOM 0 H VAL A 34 -6.826 10.411 7.190 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.396 12.805 6.744 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.869 11.666 4.514 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.500 9.909 5.562 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.428 11.434 6.476 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.429 10.088 7.069 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.536 9.306 4.296 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.548 9.461 5.752 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.945 10.393 4.289 1.00 0.00 H new ATOM 531 N GLY A 35 -8.294 12.611 5.385 1.00 0.00 N ATOM 532 CA GLY A 35 -9.262 13.306 4.558 1.00 0.00 C ATOM 533 C GLY A 35 -10.014 12.368 3.634 1.00 0.00 C ATOM 534 O GLY A 35 -10.050 12.577 2.421 1.00 0.00 O ATOM 0 H GLY A 35 -8.688 11.895 5.995 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.973 13.829 5.198 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.751 14.064 3.964 1.00 0.00 H new ATOM 538 N ARG A 36 -10.615 11.331 4.208 1.00 0.00 N ATOM 539 CA ARG A 36 -11.367 10.356 3.427 1.00 0.00 C ATOM 540 C ARG A 36 -12.077 11.029 2.256 1.00 0.00 C ATOM 541 O ARG A 36 -13.158 11.600 2.399 1.00 0.00 O ATOM 542 CB ARG A 36 -12.388 9.640 4.313 1.00 0.00 C ATOM 543 CG ARG A 36 -13.106 8.497 3.614 1.00 0.00 C ATOM 544 CD ARG A 36 -14.380 8.973 2.933 1.00 0.00 C ATOM 545 NE ARG A 36 -15.162 7.862 2.396 1.00 0.00 N ATOM 546 CZ ARG A 36 -16.447 7.956 2.074 1.00 0.00 C ATOM 547 NH1 ARG A 36 -17.091 9.104 2.232 1.00 0.00 N ATOM 548 NH2 ARG A 36 -17.090 6.901 1.591 1.00 0.00 N ATOM 0 H ARG A 36 -10.596 11.144 5.211 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.663 9.624 3.031 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.881 9.253 5.197 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -13.126 10.363 4.660 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -12.443 8.047 2.875 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -13.348 7.720 4.339 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.986 9.531 3.647 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -14.125 9.660 2.126 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.696 6.965 2.261 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -16.600 9.918 2.602 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -18.078 9.173 1.984 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.597 6.016 1.467 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -18.077 6.974 1.344 1.00 0.00 H new ATOM 562 N PRO A 37 -11.456 10.961 1.069 1.00 0.00 N ATOM 563 CA PRO A 37 -12.010 11.558 -0.150 1.00 0.00 C ATOM 564 C PRO A 37 -13.248 10.819 -0.646 1.00 0.00 C ATOM 565 O PRO A 37 -13.697 9.856 -0.025 1.00 0.00 O ATOM 566 CB PRO A 37 -10.867 11.426 -1.160 1.00 0.00 C ATOM 567 CG PRO A 37 -10.063 10.270 -0.674 1.00 0.00 C ATOM 568 CD PRO A 37 -10.164 10.296 0.826 1.00 0.00 C ATOM 0 HA PRO A 37 -12.338 12.585 0.011 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.247 11.249 -2.166 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.268 12.336 -1.201 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.447 9.332 -1.075 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -9.025 10.353 -0.997 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -10.144 9.291 1.248 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.338 10.847 1.275 1.00 0.00 H new ATOM 576 N GLN A 38 -13.794 11.276 -1.768 1.00 0.00 N ATOM 577 CA GLN A 38 -14.981 10.658 -2.347 1.00 0.00 C ATOM 578 C GLN A 38 -14.657 9.276 -2.906 1.00 0.00 C ATOM 579 O GLN A 38 -13.523 8.983 -3.285 1.00 0.00 O ATOM 580 CB GLN A 38 -15.558 11.545 -3.451 1.00 0.00 C ATOM 581 CG GLN A 38 -14.562 11.870 -4.552 1.00 0.00 C ATOM 582 CD GLN A 38 -15.160 12.740 -5.641 1.00 0.00 C ATOM 583 OE1 GLN A 38 -14.359 13.058 -6.651 1.00 0.00 O flip ATOM 584 NE2 GLN A 38 -16.329 13.122 -5.575 1.00 0.00 N flip ATOM 0 H GLN A 38 -13.433 12.072 -2.294 1.00 0.00 H new ATOM 0 HA GLN A 38 -15.723 10.546 -1.557 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -16.423 11.048 -3.890 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -15.915 12.475 -3.009 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -13.700 12.378 -4.119 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -14.197 10.942 -4.993 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -16.909 12.854 -4.780 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -16.717 13.707 -6.315 1.00 0.00 H new ATOM 593 N PRO A 39 -15.675 8.405 -2.958 1.00 0.00 N ATOM 594 CA PRO A 39 -15.523 7.039 -3.470 1.00 0.00 C ATOM 595 C PRO A 39 -15.290 7.007 -4.976 1.00 0.00 C ATOM 596 O PRO A 39 -15.216 5.938 -5.580 1.00 0.00 O ATOM 597 CB PRO A 39 -16.860 6.379 -3.122 1.00 0.00 C ATOM 598 CG PRO A 39 -17.830 7.507 -3.043 1.00 0.00 C ATOM 599 CD PRO A 39 -17.054 8.686 -2.523 1.00 0.00 C ATOM 0 HA PRO A 39 -14.658 6.536 -3.038 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -17.155 5.656 -3.883 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -16.801 5.840 -2.176 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -18.258 7.723 -4.022 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -18.659 7.263 -2.379 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -17.423 9.624 -2.937 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -17.125 8.767 -1.438 1.00 0.00 H new ATOM 607 N GLY A 40 -15.173 8.187 -5.578 1.00 0.00 N ATOM 608 CA GLY A 40 -14.949 8.272 -7.009 1.00 0.00 C ATOM 609 C GLY A 40 -13.702 7.528 -7.445 1.00 0.00 C ATOM 610 O GLY A 40 -13.238 6.622 -6.753 1.00 0.00 O ATOM 0 H GLY A 40 -15.229 9.086 -5.099 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -15.813 7.865 -7.534 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -14.864 9.319 -7.299 1.00 0.00 H new ATOM 614 N ARG A 41 -13.159 7.910 -8.597 1.00 0.00 N ATOM 615 CA ARG A 41 -11.960 7.271 -9.125 1.00 0.00 C ATOM 616 C ARG A 41 -10.876 8.305 -9.416 1.00 0.00 C ATOM 617 O ARG A 41 -9.691 7.978 -9.461 1.00 0.00 O ATOM 618 CB ARG A 41 -12.291 6.492 -10.399 1.00 0.00 C ATOM 619 CG ARG A 41 -12.844 7.360 -11.518 1.00 0.00 C ATOM 620 CD ARG A 41 -12.861 6.615 -12.844 1.00 0.00 C ATOM 621 NE ARG A 41 -11.526 6.500 -13.424 1.00 0.00 N ATOM 622 CZ ARG A 41 -11.244 5.734 -14.473 1.00 0.00 C ATOM 623 NH1 ARG A 41 -12.199 5.022 -15.053 1.00 0.00 N ATOM 624 NH2 ARG A 41 -10.004 5.682 -14.943 1.00 0.00 N ATOM 0 H ARG A 41 -13.531 8.659 -9.182 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.585 6.579 -8.371 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.390 5.990 -10.752 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -13.017 5.715 -10.161 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.855 7.680 -11.266 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.239 8.262 -11.614 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -13.279 5.619 -12.695 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -13.517 7.134 -13.543 1.00 0.00 H new ATOM 0 HE ARG A 41 -10.769 7.037 -13.001 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -13.153 5.061 -14.695 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.980 4.435 -15.858 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.267 6.230 -14.499 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.788 5.094 -15.748 1.00 0.00 H new ATOM 638 N GLU A 42 -11.292 9.552 -9.612 1.00 0.00 N ATOM 639 CA GLU A 42 -10.356 10.632 -9.900 1.00 0.00 C ATOM 640 C GLU A 42 -9.716 11.154 -8.616 1.00 0.00 C ATOM 641 O GLU A 42 -8.592 11.652 -8.629 1.00 0.00 O ATOM 642 CB GLU A 42 -11.069 11.774 -10.628 1.00 0.00 C ATOM 643 CG GLU A 42 -12.371 12.198 -9.968 1.00 0.00 C ATOM 644 CD GLU A 42 -12.747 13.631 -10.287 1.00 0.00 C ATOM 645 OE1 GLU A 42 -11.934 14.535 -10.002 1.00 0.00 O ATOM 646 OE2 GLU A 42 -13.854 13.850 -10.822 1.00 0.00 O ATOM 0 H GLU A 42 -12.270 9.839 -9.577 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.570 10.236 -10.543 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.401 12.634 -10.680 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.274 11.468 -11.654 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -13.172 11.535 -10.294 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.281 12.082 -8.888 1.00 0.00 H new ATOM 653 N ASN A 43 -10.442 11.035 -7.510 1.00 0.00 N ATOM 654 CA ASN A 43 -9.947 11.495 -6.217 1.00 0.00 C ATOM 655 C ASN A 43 -8.929 10.514 -5.645 1.00 0.00 C ATOM 656 O ASN A 43 -7.907 10.917 -5.088 1.00 0.00 O ATOM 657 CB ASN A 43 -11.108 11.674 -5.237 1.00 0.00 C ATOM 658 CG ASN A 43 -11.683 13.077 -5.271 1.00 0.00 C ATOM 659 OD1 ASN A 43 -11.886 13.604 -6.472 1.00 0.00 O flip ATOM 660 ND2 ASN A 43 -11.942 13.679 -4.228 1.00 0.00 N flip ATOM 0 H ASN A 43 -11.375 10.624 -7.482 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.455 12.456 -6.365 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.894 10.957 -5.474 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.765 11.449 -4.227 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.770 13.234 -3.326 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.329 14.622 -4.266 1.00 0.00 H new ATOM 667 N PHE A 44 -9.214 9.224 -5.785 1.00 0.00 N ATOM 668 CA PHE A 44 -8.324 8.185 -5.282 1.00 0.00 C ATOM 669 C PHE A 44 -6.890 8.426 -5.743 1.00 0.00 C ATOM 670 O PHE A 44 -5.973 8.524 -4.928 1.00 0.00 O ATOM 671 CB PHE A 44 -8.798 6.807 -5.750 1.00 0.00 C ATOM 672 CG PHE A 44 -8.186 5.670 -4.983 1.00 0.00 C ATOM 673 CD1 PHE A 44 -8.725 5.263 -3.773 1.00 0.00 C ATOM 674 CD2 PHE A 44 -7.071 5.008 -5.471 1.00 0.00 C ATOM 675 CE1 PHE A 44 -8.165 4.217 -3.065 1.00 0.00 C ATOM 676 CE2 PHE A 44 -6.507 3.961 -4.768 1.00 0.00 C ATOM 677 CZ PHE A 44 -7.053 3.566 -3.562 1.00 0.00 C ATOM 0 H PHE A 44 -10.055 8.873 -6.243 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.347 8.219 -4.193 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -9.883 6.754 -5.658 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -8.562 6.690 -6.808 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -9.593 5.770 -3.379 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.638 5.314 -6.412 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -8.596 3.909 -2.124 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.640 3.452 -5.161 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.611 2.750 -3.009 1.00 0.00 H new ATOM 687 N GLN A 45 -6.705 8.520 -7.056 1.00 0.00 N ATOM 688 CA GLN A 45 -5.383 8.749 -7.627 1.00 0.00 C ATOM 689 C GLN A 45 -4.699 9.936 -6.957 1.00 0.00 C ATOM 690 O GLN A 45 -3.538 9.854 -6.561 1.00 0.00 O ATOM 691 CB GLN A 45 -5.489 8.989 -9.134 1.00 0.00 C ATOM 692 CG GLN A 45 -4.219 8.645 -9.895 1.00 0.00 C ATOM 693 CD GLN A 45 -4.039 9.490 -11.141 1.00 0.00 C ATOM 694 OE1 GLN A 45 -2.917 10.196 -11.221 1.00 0.00 O flip ATOM 695 NE2 GLN A 45 -4.899 9.508 -12.022 1.00 0.00 N flip ATOM 0 H GLN A 45 -7.454 8.441 -7.744 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.780 7.859 -7.451 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.313 8.396 -9.531 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -5.736 10.036 -9.310 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.359 8.782 -9.240 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -4.241 7.592 -10.175 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -5.746 8.950 -11.919 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -4.764 10.081 -12.855 1.00 0.00 H new ATOM 704 N ASN A 46 -5.428 11.041 -6.835 1.00 0.00 N ATOM 705 CA ASN A 46 -4.891 12.247 -6.215 1.00 0.00 C ATOM 706 C ASN A 46 -4.678 12.039 -4.718 1.00 0.00 C ATOM 707 O ASN A 46 -3.797 12.652 -4.116 1.00 0.00 O ATOM 708 CB ASN A 46 -5.834 13.429 -6.448 1.00 0.00 C ATOM 709 CG ASN A 46 -5.711 13.999 -7.848 1.00 0.00 C ATOM 710 OD1 ASN A 46 -4.633 13.987 -8.442 1.00 0.00 O ATOM 711 ND2 ASN A 46 -6.818 14.504 -8.380 1.00 0.00 N ATOM 0 H ASN A 46 -6.392 11.126 -7.157 1.00 0.00 H new ATOM 0 HA ASN A 46 -3.927 12.464 -6.675 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -6.862 13.109 -6.278 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -5.619 14.211 -5.720 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.797 14.903 -9.318 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.690 14.492 -7.850 1.00 0.00 H new ATOM 718 N TRP A 47 -5.490 11.171 -4.126 1.00 0.00 N ATOM 719 CA TRP A 47 -5.390 10.883 -2.699 1.00 0.00 C ATOM 720 C TRP A 47 -4.027 10.291 -2.358 1.00 0.00 C ATOM 721 O TRP A 47 -3.401 10.678 -1.371 1.00 0.00 O ATOM 722 CB TRP A 47 -6.499 9.919 -2.274 1.00 0.00 C ATOM 723 CG TRP A 47 -6.700 9.862 -0.790 1.00 0.00 C ATOM 724 CD1 TRP A 47 -6.574 10.895 0.094 1.00 0.00 C ATOM 725 CD2 TRP A 47 -7.061 8.711 -0.018 1.00 0.00 C ATOM 726 NE1 TRP A 47 -6.835 10.456 1.370 1.00 0.00 N ATOM 727 CE2 TRP A 47 -7.137 9.120 1.328 1.00 0.00 C ATOM 728 CE3 TRP A 47 -7.329 7.376 -0.332 1.00 0.00 C ATOM 729 CZ2 TRP A 47 -7.468 8.241 2.355 1.00 0.00 C ATOM 730 CZ3 TRP A 47 -7.657 6.505 0.689 1.00 0.00 C ATOM 731 CH2 TRP A 47 -7.726 6.940 2.019 1.00 0.00 C ATOM 0 H TRP A 47 -6.224 10.655 -4.611 1.00 0.00 H new ATOM 0 HA TRP A 47 -5.505 11.821 -2.155 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -7.433 10.219 -2.749 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -6.262 8.920 -2.640 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -6.308 11.908 -0.171 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.808 11.031 2.212 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.281 7.031 -1.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.519 8.574 3.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -7.864 5.471 0.458 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -7.988 6.235 2.794 1.00 0.00 H new ATOM 742 N LEU A 48 -3.572 9.352 -3.180 1.00 0.00 N ATOM 743 CA LEU A 48 -2.281 8.707 -2.965 1.00 0.00 C ATOM 744 C LEU A 48 -1.177 9.430 -3.729 1.00 0.00 C ATOM 745 O LEU A 48 -0.011 9.398 -3.335 1.00 0.00 O ATOM 746 CB LEU A 48 -2.342 7.242 -3.400 1.00 0.00 C ATOM 747 CG LEU A 48 -3.621 6.486 -3.036 1.00 0.00 C ATOM 748 CD1 LEU A 48 -3.557 5.054 -3.543 1.00 0.00 C ATOM 749 CD2 LEU A 48 -3.846 6.512 -1.531 1.00 0.00 C ATOM 0 H LEU A 48 -4.078 9.020 -4.001 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.052 8.755 -1.900 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.214 7.199 -4.482 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.495 6.717 -2.958 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.463 6.983 -3.517 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.475 4.532 -3.275 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.444 5.057 -4.627 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.705 4.546 -3.091 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.760 5.969 -1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.001 6.041 -1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.938 7.545 -1.195 1.00 0.00 H new ATOM 761 N LYS A 49 -1.552 10.085 -4.822 1.00 0.00 N ATOM 762 CA LYS A 49 -0.595 10.820 -5.641 1.00 0.00 C ATOM 763 C LYS A 49 0.378 11.605 -4.767 1.00 0.00 C ATOM 764 O LYS A 49 1.584 11.607 -5.013 1.00 0.00 O ATOM 765 CB LYS A 49 -1.329 11.772 -6.588 1.00 0.00 C ATOM 766 CG LYS A 49 -0.409 12.748 -7.302 1.00 0.00 C ATOM 767 CD LYS A 49 -0.252 14.041 -6.519 1.00 0.00 C ATOM 768 CE LYS A 49 0.799 14.946 -7.143 1.00 0.00 C ATOM 769 NZ LYS A 49 0.503 16.386 -6.905 1.00 0.00 N ATOM 0 H LYS A 49 -2.513 10.122 -5.162 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.027 10.099 -6.229 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.871 11.186 -7.331 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.072 12.334 -6.022 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.569 12.288 -7.447 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.808 12.967 -8.292 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.208 14.563 -6.482 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.027 13.813 -5.490 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.778 14.704 -6.730 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.850 14.758 -8.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.363 16.948 -7.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.242 16.700 -7.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.181 16.517 -5.925 1.00 0.00 H new ATOM 783 N ASP A 50 -0.154 12.268 -3.746 1.00 0.00 N ATOM 784 CA ASP A 50 0.669 13.055 -2.834 1.00 0.00 C ATOM 785 C ASP A 50 1.641 12.161 -2.071 1.00 0.00 C ATOM 786 O ASP A 50 2.776 12.550 -1.798 1.00 0.00 O ATOM 787 CB ASP A 50 -0.215 13.824 -1.851 1.00 0.00 C ATOM 788 CG ASP A 50 -1.372 12.990 -1.337 1.00 0.00 C ATOM 789 OD1 ASP A 50 -1.162 12.204 -0.389 1.00 0.00 O ATOM 790 OD2 ASP A 50 -2.487 13.122 -1.883 1.00 0.00 O ATOM 0 H ASP A 50 -1.151 12.276 -3.529 1.00 0.00 H new ATOM 0 HA ASP A 50 1.246 13.766 -3.425 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.390 14.159 -1.008 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.604 14.718 -2.339 1.00 0.00 H new ATOM 795 N GLY A 51 1.187 10.959 -1.727 1.00 0.00 N ATOM 796 CA GLY A 51 2.029 10.029 -0.997 1.00 0.00 C ATOM 797 C GLY A 51 1.696 9.984 0.481 1.00 0.00 C ATOM 798 O GLY A 51 1.593 8.907 1.070 1.00 0.00 O ATOM 0 H GLY A 51 0.252 10.613 -1.941 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.917 9.032 -1.422 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.074 10.314 -1.123 1.00 0.00 H new ATOM 802 N THR A 52 1.530 11.156 1.085 1.00 0.00 N ATOM 803 CA THR A 52 1.211 11.247 2.504 1.00 0.00 C ATOM 804 C THR A 52 0.301 10.102 2.937 1.00 0.00 C ATOM 805 O THR A 52 0.644 9.327 3.830 1.00 0.00 O ATOM 806 CB THR A 52 0.528 12.585 2.842 1.00 0.00 C ATOM 807 OG1 THR A 52 -0.519 12.853 1.903 1.00 0.00 O ATOM 808 CG2 THR A 52 1.535 13.725 2.825 1.00 0.00 C ATOM 0 H THR A 52 1.611 12.056 0.613 1.00 0.00 H new ATOM 0 HA THR A 52 2.155 11.183 3.045 1.00 0.00 H new ATOM 0 HB THR A 52 0.105 12.509 3.844 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.183 12.720 0.992 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.030 14.660 3.067 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.315 13.533 3.562 1.00 0.00 H new ATOM 0 HG23 THR A 52 1.983 13.800 1.834 1.00 0.00 H new ATOM 816 N VAL A 53 -0.860 10.001 2.298 1.00 0.00 N ATOM 817 CA VAL A 53 -1.819 8.950 2.616 1.00 0.00 C ATOM 818 C VAL A 53 -1.162 7.575 2.569 1.00 0.00 C ATOM 819 O VAL A 53 -1.347 6.755 3.470 1.00 0.00 O ATOM 820 CB VAL A 53 -3.015 8.968 1.646 1.00 0.00 C ATOM 821 CG1 VAL A 53 -3.948 7.800 1.926 1.00 0.00 C ATOM 822 CG2 VAL A 53 -3.759 10.291 1.744 1.00 0.00 C ATOM 0 H VAL A 53 -1.159 10.635 1.557 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.178 9.145 3.627 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.638 8.864 0.629 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.787 7.830 1.231 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.406 6.863 1.800 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.321 7.869 2.948 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.601 10.287 1.052 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.126 10.428 2.761 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.084 11.108 1.489 1.00 0.00 H new ATOM 832 N LEU A 54 -0.392 7.328 1.515 1.00 0.00 N ATOM 833 CA LEU A 54 0.294 6.052 1.350 1.00 0.00 C ATOM 834 C LEU A 54 1.222 5.776 2.529 1.00 0.00 C ATOM 835 O LEU A 54 1.368 4.632 2.961 1.00 0.00 O ATOM 836 CB LEU A 54 1.093 6.045 0.045 1.00 0.00 C ATOM 837 CG LEU A 54 0.276 5.918 -1.241 1.00 0.00 C ATOM 838 CD1 LEU A 54 1.093 6.374 -2.440 1.00 0.00 C ATOM 839 CD2 LEU A 54 -0.201 4.485 -1.432 1.00 0.00 C ATOM 0 H LEU A 54 -0.227 7.995 0.761 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.459 5.265 1.312 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.674 6.966 -0.007 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.805 5.220 0.083 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.599 6.562 -1.157 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.495 6.276 -3.346 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.383 7.416 -2.307 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.987 5.757 -2.527 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.781 4.414 -2.352 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.660 3.820 -1.494 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.825 4.193 -0.587 1.00 0.00 H new ATOM 851 N CYS A 55 1.843 6.830 3.044 1.00 0.00 N ATOM 852 CA CYS A 55 2.756 6.702 4.175 1.00 0.00 C ATOM 853 C CYS A 55 2.018 6.215 5.417 1.00 0.00 C ATOM 854 O CYS A 55 2.437 5.255 6.063 1.00 0.00 O ATOM 855 CB CYS A 55 3.435 8.042 4.463 1.00 0.00 C ATOM 856 SG CYS A 55 4.441 8.668 3.098 1.00 0.00 S ATOM 0 H CYS A 55 1.732 7.783 2.697 1.00 0.00 H new ATOM 0 HA CYS A 55 3.517 5.966 3.915 1.00 0.00 H new ATOM 0 HB2 CYS A 55 2.670 8.780 4.705 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.065 7.935 5.346 1.00 0.00 H new ATOM 0 HG CYS A 55 3.678 8.916 2.075 1.00 0.00 H new ATOM 862 N GLU A 56 0.918 6.885 5.747 1.00 0.00 N ATOM 863 CA GLU A 56 0.123 6.521 6.914 1.00 0.00 C ATOM 864 C GLU A 56 -0.260 5.044 6.872 1.00 0.00 C ATOM 865 O GLU A 56 -0.324 4.378 7.907 1.00 0.00 O ATOM 866 CB GLU A 56 -1.139 7.383 6.988 1.00 0.00 C ATOM 867 CG GLU A 56 -0.867 8.827 7.377 1.00 0.00 C ATOM 868 CD GLU A 56 -0.876 9.039 8.878 1.00 0.00 C ATOM 869 OE1 GLU A 56 -0.120 8.337 9.582 1.00 0.00 O ATOM 870 OE2 GLU A 56 -1.641 9.907 9.349 1.00 0.00 O ATOM 0 H GLU A 56 0.557 7.682 5.223 1.00 0.00 H new ATOM 0 HA GLU A 56 0.728 6.697 7.803 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.639 7.364 6.020 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.827 6.944 7.711 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.100 9.131 6.977 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.618 9.470 6.919 1.00 0.00 H new ATOM 877 N LEU A 57 -0.513 4.538 5.670 1.00 0.00 N ATOM 878 CA LEU A 57 -0.890 3.140 5.493 1.00 0.00 C ATOM 879 C LEU A 57 0.199 2.211 6.022 1.00 0.00 C ATOM 880 O LEU A 57 0.010 1.529 7.030 1.00 0.00 O ATOM 881 CB LEU A 57 -1.153 2.846 4.015 1.00 0.00 C ATOM 882 CG LEU A 57 -1.533 1.405 3.675 1.00 0.00 C ATOM 883 CD1 LEU A 57 -2.787 0.991 4.430 1.00 0.00 C ATOM 884 CD2 LEU A 57 -1.736 1.247 2.175 1.00 0.00 C ATOM 0 H LEU A 57 -0.464 5.075 4.804 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.803 2.960 6.061 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.953 3.502 3.671 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.260 3.108 3.448 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.716 0.752 3.982 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.042 -0.038 4.175 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.607 1.065 5.502 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.612 1.648 4.154 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.006 0.215 1.951 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.535 1.911 1.844 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.813 1.502 1.654 1.00 0.00 H new ATOM 896 N ILE A 58 1.337 2.192 5.337 1.00 0.00 N ATOM 897 CA ILE A 58 2.457 1.350 5.740 1.00 0.00 C ATOM 898 C ILE A 58 2.941 1.713 7.140 1.00 0.00 C ATOM 899 O ILE A 58 3.405 0.854 7.889 1.00 0.00 O ATOM 900 CB ILE A 58 3.634 1.469 4.755 1.00 0.00 C ATOM 901 CG1 ILE A 58 4.737 0.473 5.121 1.00 0.00 C ATOM 902 CG2 ILE A 58 4.177 2.890 4.748 1.00 0.00 C ATOM 903 CD1 ILE A 58 4.582 -0.873 4.450 1.00 0.00 C ATOM 0 H ILE A 58 1.508 2.750 4.500 1.00 0.00 H new ATOM 0 HA ILE A 58 2.096 0.322 5.738 1.00 0.00 H new ATOM 0 HB ILE A 58 3.275 1.233 3.753 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.703 0.897 4.848 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.744 0.332 6.202 1.00 0.00 H new ATOM 0 HG21 ILE A 58 5.009 2.958 4.047 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.389 3.579 4.444 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.523 3.152 5.748 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.398 -1.528 4.755 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.631 -1.318 4.743 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.605 -0.745 3.368 1.00 0.00 H new ATOM 915 N ASN A 59 2.828 2.991 7.487 1.00 0.00 N ATOM 916 CA ASN A 59 3.253 3.468 8.798 1.00 0.00 C ATOM 917 C ASN A 59 2.371 2.889 9.900 1.00 0.00 C ATOM 918 O ASN A 59 2.859 2.504 10.962 1.00 0.00 O ATOM 919 CB ASN A 59 3.211 4.996 8.846 1.00 0.00 C ATOM 920 CG ASN A 59 4.474 5.627 8.291 1.00 0.00 C ATOM 921 OD1 ASN A 59 5.585 5.203 8.610 1.00 0.00 O ATOM 922 ND2 ASN A 59 4.308 6.646 7.456 1.00 0.00 N ATOM 0 H ASN A 59 2.446 3.715 6.879 1.00 0.00 H new ATOM 0 HA ASN A 59 4.277 3.134 8.964 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.351 5.351 8.278 1.00 0.00 H new ATOM 0 HB3 ASN A 59 3.069 5.321 9.877 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.120 7.111 7.051 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.368 6.964 7.220 1.00 0.00 H new ATOM 929 N ALA A 60 1.069 2.830 9.639 1.00 0.00 N ATOM 930 CA ALA A 60 0.119 2.296 10.606 1.00 0.00 C ATOM 931 C ALA A 60 0.454 0.852 10.964 1.00 0.00 C ATOM 932 O ALA A 60 0.566 0.503 12.140 1.00 0.00 O ATOM 933 CB ALA A 60 -1.299 2.392 10.063 1.00 0.00 C ATOM 0 H ALA A 60 0.648 3.146 8.765 1.00 0.00 H new ATOM 0 HA ALA A 60 0.189 2.894 11.515 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.998 1.989 10.796 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.543 3.436 9.865 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.374 1.820 9.138 1.00 0.00 H new ATOM 939 N LEU A 61 0.611 0.016 9.944 1.00 0.00 N ATOM 940 CA LEU A 61 0.932 -1.392 10.152 1.00 0.00 C ATOM 941 C LEU A 61 2.136 -1.546 11.076 1.00 0.00 C ATOM 942 O LEU A 61 2.034 -2.133 12.153 1.00 0.00 O ATOM 943 CB LEU A 61 1.214 -2.074 8.812 1.00 0.00 C ATOM 944 CG LEU A 61 0.106 -1.974 7.762 1.00 0.00 C ATOM 945 CD1 LEU A 61 0.653 -2.284 6.377 1.00 0.00 C ATOM 946 CD2 LEU A 61 -1.042 -2.912 8.106 1.00 0.00 C ATOM 0 H LEU A 61 0.521 0.288 8.965 1.00 0.00 H new ATOM 0 HA LEU A 61 0.072 -1.869 10.623 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.124 -1.645 8.393 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.416 -3.129 8.999 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.274 -0.952 7.760 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.150 -2.208 5.643 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.440 -1.572 6.129 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.061 -3.295 6.365 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.821 -2.827 7.348 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.676 -3.938 8.137 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.452 -2.643 9.079 1.00 0.00 H new ATOM 958 N TYR A 62 3.275 -1.012 10.649 1.00 0.00 N ATOM 959 CA TYR A 62 4.499 -1.090 11.438 1.00 0.00 C ATOM 960 C TYR A 62 4.324 -0.394 12.784 1.00 0.00 C ATOM 961 O TYR A 62 3.647 0.627 12.901 1.00 0.00 O ATOM 962 CB TYR A 62 5.664 -0.460 10.673 1.00 0.00 C ATOM 963 CG TYR A 62 6.266 -1.372 9.628 1.00 0.00 C ATOM 964 CD1 TYR A 62 7.026 -2.476 9.996 1.00 0.00 C ATOM 965 CD2 TYR A 62 6.077 -1.130 8.274 1.00 0.00 C ATOM 966 CE1 TYR A 62 7.579 -3.312 9.045 1.00 0.00 C ATOM 967 CE2 TYR A 62 6.624 -1.961 7.316 1.00 0.00 C ATOM 968 CZ TYR A 62 7.375 -3.050 7.706 1.00 0.00 C ATOM 969 OH TYR A 62 7.923 -3.880 6.755 1.00 0.00 O ATOM 0 H TYR A 62 3.376 -0.520 9.761 1.00 0.00 H new ATOM 0 HA TYR A 62 4.719 -2.142 11.619 1.00 0.00 H new ATOM 0 HB2 TYR A 62 5.319 0.454 10.190 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.440 -0.172 11.382 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.187 -2.684 11.043 1.00 0.00 H new ATOM 0 HD2 TYR A 62 5.492 -0.277 7.964 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.167 -4.165 9.348 1.00 0.00 H new ATOM 0 HE2 TYR A 62 6.464 -1.759 6.267 1.00 0.00 H new ATOM 0 HH TYR A 62 7.684 -3.556 5.861 1.00 0.00 H new ATOM 979 N PRO A 63 4.950 -0.960 13.827 1.00 0.00 N ATOM 980 CA PRO A 63 4.881 -0.411 15.184 1.00 0.00 C ATOM 981 C PRO A 63 5.639 0.905 15.317 1.00 0.00 C ATOM 982 O PRO A 63 6.055 1.494 14.321 1.00 0.00 O ATOM 983 CB PRO A 63 5.539 -1.497 16.040 1.00 0.00 C ATOM 984 CG PRO A 63 6.448 -2.217 15.104 1.00 0.00 C ATOM 985 CD PRO A 63 5.774 -2.178 13.760 1.00 0.00 C ATOM 0 HA PRO A 63 3.857 -0.179 15.478 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.091 -1.064 16.874 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.795 -2.170 16.466 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.426 -1.738 15.064 1.00 0.00 H new ATOM 0 HG3 PRO A 63 6.610 -3.245 15.430 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.499 -2.128 12.948 1.00 0.00 H new ATOM 0 HD3 PRO A 63 5.165 -3.066 13.590 1.00 0.00 H new ATOM 993 N GLU A 64 5.816 1.358 16.554 1.00 0.00 N ATOM 994 CA GLU A 64 6.525 2.605 16.816 1.00 0.00 C ATOM 995 C GLU A 64 8.026 2.433 16.604 1.00 0.00 C ATOM 996 O GLU A 64 8.639 1.515 17.147 1.00 0.00 O ATOM 997 CB GLU A 64 6.252 3.083 18.244 1.00 0.00 C ATOM 998 CG GLU A 64 4.783 3.043 18.629 1.00 0.00 C ATOM 999 CD GLU A 64 4.368 1.705 19.210 1.00 0.00 C ATOM 1000 OE1 GLU A 64 4.930 1.313 20.254 1.00 0.00 O ATOM 1001 OE2 GLU A 64 3.483 1.051 18.620 1.00 0.00 O ATOM 0 H GLU A 64 5.479 0.881 17.390 1.00 0.00 H new ATOM 0 HA GLU A 64 6.160 3.354 16.114 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.818 2.464 18.940 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.620 4.103 18.353 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.580 3.829 19.356 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.175 3.257 17.750 1.00 0.00 H new ATOM 1008 N GLY A 65 8.612 3.323 15.809 1.00 0.00 N ATOM 1009 CA GLY A 65 10.036 3.252 15.538 1.00 0.00 C ATOM 1010 C GLY A 65 10.348 2.462 14.283 1.00 0.00 C ATOM 1011 O GLY A 65 11.196 2.863 13.485 1.00 0.00 O ATOM 0 H GLY A 65 8.126 4.092 15.348 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.434 4.262 15.437 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.542 2.793 16.388 1.00 0.00 H new ATOM 1015 N GLN A 66 9.664 1.337 14.108 1.00 0.00 N ATOM 1016 CA GLN A 66 9.875 0.488 12.941 1.00 0.00 C ATOM 1017 C GLN A 66 9.397 1.181 11.670 1.00 0.00 C ATOM 1018 O GLN A 66 9.964 0.988 10.595 1.00 0.00 O ATOM 1019 CB GLN A 66 9.145 -0.845 13.115 1.00 0.00 C ATOM 1020 CG GLN A 66 9.717 -1.711 14.226 1.00 0.00 C ATOM 1021 CD GLN A 66 9.180 -3.128 14.196 1.00 0.00 C ATOM 1022 OE1 GLN A 66 8.820 -3.650 15.363 1.00 0.00 O flip ATOM 1023 NE2 GLN A 66 9.089 -3.748 13.136 1.00 0.00 N flip ATOM 0 H GLN A 66 8.959 0.992 14.759 1.00 0.00 H new ATOM 0 HA GLN A 66 10.945 0.299 12.849 1.00 0.00 H new ATOM 0 HB2 GLN A 66 8.093 -0.649 13.323 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.187 -1.398 12.177 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.803 -1.736 14.139 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.485 -1.259 15.190 1.00 0.00 H new ATOM 0 HE21 GLN A 66 9.377 -3.309 12.262 1.00 0.00 H new ATOM 0 HE22 GLN A 66 8.725 -4.701 13.132 1.00 0.00 H new ATOM 1032 N ALA A 67 8.349 1.988 11.800 1.00 0.00 N ATOM 1033 CA ALA A 67 7.795 2.711 10.662 1.00 0.00 C ATOM 1034 C ALA A 67 8.903 3.257 9.767 1.00 0.00 C ATOM 1035 O ALA A 67 9.768 4.018 10.201 1.00 0.00 O ATOM 1036 CB ALA A 67 6.897 3.842 11.142 1.00 0.00 C ATOM 0 H ALA A 67 7.867 2.157 12.683 1.00 0.00 H new ATOM 0 HA ALA A 67 7.199 2.013 10.074 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.490 4.374 10.282 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.080 3.431 11.735 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.477 4.533 11.754 1.00 0.00 H new ATOM 1042 N PRO A 68 8.878 2.860 8.486 1.00 0.00 N ATOM 1043 CA PRO A 68 9.874 3.297 7.502 1.00 0.00 C ATOM 1044 C PRO A 68 9.731 4.773 7.150 1.00 0.00 C ATOM 1045 O PRO A 68 10.713 5.444 6.831 1.00 0.00 O ATOM 1046 CB PRO A 68 9.574 2.424 6.282 1.00 0.00 C ATOM 1047 CG PRO A 68 8.136 2.059 6.421 1.00 0.00 C ATOM 1048 CD PRO A 68 7.877 1.954 7.899 1.00 0.00 C ATOM 0 HA PRO A 68 10.892 3.192 7.878 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.757 2.965 5.354 1.00 0.00 H new ATOM 0 HB3 PRO A 68 10.208 1.537 6.264 1.00 0.00 H new ATOM 0 HG2 PRO A 68 7.496 2.814 5.965 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.923 1.115 5.919 1.00 0.00 H new ATOM 0 HD2 PRO A 68 6.862 2.259 8.152 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.001 0.932 8.257 1.00 0.00 H new ATOM 1056 N VAL A 69 8.501 5.275 7.209 1.00 0.00 N ATOM 1057 CA VAL A 69 8.230 6.673 6.897 1.00 0.00 C ATOM 1058 C VAL A 69 7.624 7.396 8.096 1.00 0.00 C ATOM 1059 O VAL A 69 6.437 7.722 8.104 1.00 0.00 O ATOM 1060 CB VAL A 69 7.275 6.805 5.696 1.00 0.00 C ATOM 1061 CG1 VAL A 69 6.909 8.263 5.463 1.00 0.00 C ATOM 1062 CG2 VAL A 69 7.900 6.197 4.450 1.00 0.00 C ATOM 0 H VAL A 69 7.677 4.734 7.470 1.00 0.00 H new ATOM 0 HA VAL A 69 9.186 7.132 6.644 1.00 0.00 H new ATOM 0 HB VAL A 69 6.359 6.257 5.919 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.234 8.337 4.611 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.418 8.661 6.351 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.813 8.837 5.260 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.212 6.299 3.611 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.831 6.715 4.220 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.106 5.141 4.624 1.00 0.00 H new ATOM 1072 N LYS A 70 8.448 7.644 9.108 1.00 0.00 N ATOM 1073 CA LYS A 70 7.997 8.330 10.312 1.00 0.00 C ATOM 1074 C LYS A 70 7.974 9.841 10.102 1.00 0.00 C ATOM 1075 O LYS A 70 7.179 10.552 10.717 1.00 0.00 O ATOM 1076 CB LYS A 70 8.906 7.983 11.494 1.00 0.00 C ATOM 1077 CG LYS A 70 8.839 6.522 11.903 1.00 0.00 C ATOM 1078 CD LYS A 70 9.171 6.339 13.374 1.00 0.00 C ATOM 1079 CE LYS A 70 10.674 6.277 13.603 1.00 0.00 C ATOM 1080 NZ LYS A 70 11.048 6.765 14.959 1.00 0.00 N ATOM 0 H LYS A 70 9.433 7.380 9.118 1.00 0.00 H new ATOM 0 HA LYS A 70 6.983 7.996 10.531 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.935 8.233 11.236 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.632 8.604 12.347 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.841 6.133 11.703 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.535 5.941 11.297 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.748 7.163 13.949 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.708 5.423 13.741 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.018 5.250 13.479 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.182 6.877 12.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.992 6.406 15.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.061 7.805 14.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.353 6.425 15.654 1.00 0.00 H new ATOM 1094 N LYS A 71 8.850 10.325 9.228 1.00 0.00 N ATOM 1095 CA LYS A 71 8.929 11.751 8.933 1.00 0.00 C ATOM 1096 C LYS A 71 7.923 12.140 7.855 1.00 0.00 C ATOM 1097 O LYS A 71 8.300 12.623 6.787 1.00 0.00 O ATOM 1098 CB LYS A 71 10.344 12.122 8.483 1.00 0.00 C ATOM 1099 CG LYS A 71 11.409 11.832 9.526 1.00 0.00 C ATOM 1100 CD LYS A 71 12.744 12.450 9.147 1.00 0.00 C ATOM 1101 CE LYS A 71 13.842 12.047 10.119 1.00 0.00 C ATOM 1102 NZ LYS A 71 15.165 12.606 9.725 1.00 0.00 N ATOM 0 H LYS A 71 9.516 9.750 8.711 1.00 0.00 H new ATOM 0 HA LYS A 71 8.689 12.299 9.844 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.582 11.574 7.571 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.371 13.183 8.234 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.088 12.221 10.492 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.525 10.754 9.639 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.017 12.138 8.139 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.652 13.536 9.131 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.585 12.393 11.120 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.906 10.960 10.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 15.886 12.308 10.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 15.422 12.256 8.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 15.112 13.644 9.707 1.00 0.00 H new ATOM 1116 N ILE A 72 6.643 11.929 8.142 1.00 0.00 N ATOM 1117 CA ILE A 72 5.584 12.261 7.198 1.00 0.00 C ATOM 1118 C ILE A 72 5.349 13.766 7.141 1.00 0.00 C ATOM 1119 O ILE A 72 5.079 14.400 8.161 1.00 0.00 O ATOM 1120 CB ILE A 72 4.262 11.560 7.565 1.00 0.00 C ATOM 1121 CG1 ILE A 72 4.486 10.056 7.731 1.00 0.00 C ATOM 1122 CG2 ILE A 72 3.206 11.830 6.503 1.00 0.00 C ATOM 1123 CD1 ILE A 72 3.419 9.373 8.558 1.00 0.00 C ATOM 0 H ILE A 72 6.314 11.529 9.021 1.00 0.00 H new ATOM 0 HA ILE A 72 5.913 11.910 6.220 1.00 0.00 H new ATOM 0 HB ILE A 72 3.906 11.962 8.514 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.523 9.592 6.746 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.457 9.891 8.198 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.278 11.328 6.777 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.030 12.903 6.429 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.553 11.452 5.541 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.643 8.309 8.633 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.396 9.811 9.556 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.448 9.507 8.081 1.00 0.00 H new ATOM 1135 N GLN A 73 5.453 14.331 5.943 1.00 0.00 N ATOM 1136 CA GLN A 73 5.251 15.763 5.754 1.00 0.00 C ATOM 1137 C GLN A 73 4.677 16.054 4.371 1.00 0.00 C ATOM 1138 O GLN A 73 5.314 15.780 3.354 1.00 0.00 O ATOM 1139 CB GLN A 73 6.571 16.515 5.940 1.00 0.00 C ATOM 1140 CG GLN A 73 6.391 17.995 6.237 1.00 0.00 C ATOM 1141 CD GLN A 73 5.861 18.249 7.634 1.00 0.00 C ATOM 1142 OE1 GLN A 73 6.598 18.161 8.616 1.00 0.00 O ATOM 1143 NE2 GLN A 73 4.575 18.568 7.730 1.00 0.00 N ATOM 0 H GLN A 73 5.676 13.820 5.089 1.00 0.00 H new ATOM 0 HA GLN A 73 4.537 16.106 6.503 1.00 0.00 H new ATOM 0 HB2 GLN A 73 7.130 16.055 6.755 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.173 16.404 5.038 1.00 0.00 H new ATOM 0 HG2 GLN A 73 7.347 18.505 6.117 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.705 18.427 5.508 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.001 18.630 6.889 1.00 0.00 H new ATOM 0 HE22 GLN A 73 4.162 18.751 8.644 1.00 0.00 H new ATOM 1152 N ALA A 74 3.471 16.610 4.341 1.00 0.00 N ATOM 1153 CA ALA A 74 2.812 16.939 3.084 1.00 0.00 C ATOM 1154 C ALA A 74 3.579 18.019 2.328 1.00 0.00 C ATOM 1155 O ALA A 74 3.277 19.206 2.447 1.00 0.00 O ATOM 1156 CB ALA A 74 1.381 17.387 3.339 1.00 0.00 C ATOM 0 H ALA A 74 2.930 16.842 5.174 1.00 0.00 H new ATOM 0 HA ALA A 74 2.795 16.041 2.466 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.901 17.630 2.391 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.830 16.584 3.829 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.385 18.269 3.980 1.00 0.00 H new ATOM 1162 N SER A 75 4.573 17.599 1.552 1.00 0.00 N ATOM 1163 CA SER A 75 5.387 18.531 0.781 1.00 0.00 C ATOM 1164 C SER A 75 4.552 19.222 -0.292 1.00 0.00 C ATOM 1165 O SER A 75 4.824 20.362 -0.671 1.00 0.00 O ATOM 1166 CB SER A 75 6.564 17.799 0.134 1.00 0.00 C ATOM 1167 OG SER A 75 7.506 17.386 1.109 1.00 0.00 O ATOM 0 H SER A 75 4.834 16.619 1.441 1.00 0.00 H new ATOM 0 HA SER A 75 5.771 19.290 1.463 1.00 0.00 H new ATOM 0 HB2 SER A 75 6.199 16.931 -0.414 1.00 0.00 H new ATOM 0 HB3 SER A 75 7.049 18.453 -0.591 1.00 0.00 H new ATOM 0 HG SER A 75 7.836 16.491 0.886 1.00 0.00 H new ATOM 1173 N THR A 76 3.531 18.524 -0.780 1.00 0.00 N ATOM 1174 CA THR A 76 2.655 19.068 -1.810 1.00 0.00 C ATOM 1175 C THR A 76 3.460 19.611 -2.985 1.00 0.00 C ATOM 1176 O THR A 76 2.997 20.487 -3.715 1.00 0.00 O ATOM 1177 CB THR A 76 1.761 20.191 -1.252 1.00 0.00 C ATOM 1178 OG1 THR A 76 2.421 20.847 -0.163 1.00 0.00 O ATOM 1179 CG2 THR A 76 0.425 19.637 -0.782 1.00 0.00 C ATOM 0 H THR A 76 3.291 17.580 -0.478 1.00 0.00 H new ATOM 0 HA THR A 76 2.024 18.248 -2.153 1.00 0.00 H new ATOM 0 HB THR A 76 1.577 20.909 -2.051 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.341 21.066 -0.422 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.189 20.449 -0.392 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.088 19.164 -1.620 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.593 18.900 0.003 1.00 0.00 H new ATOM 1187 N MET A 77 4.667 19.085 -3.163 1.00 0.00 N ATOM 1188 CA MET A 77 5.536 19.516 -4.252 1.00 0.00 C ATOM 1189 C MET A 77 5.608 18.453 -5.344 1.00 0.00 C ATOM 1190 O MET A 77 6.031 17.324 -5.096 1.00 0.00 O ATOM 1191 CB MET A 77 6.939 19.819 -3.724 1.00 0.00 C ATOM 1192 CG MET A 77 7.052 21.169 -3.036 1.00 0.00 C ATOM 1193 SD MET A 77 7.462 22.501 -4.180 1.00 0.00 S ATOM 1194 CE MET A 77 8.775 23.326 -3.284 1.00 0.00 C ATOM 0 H MET A 77 5.066 18.360 -2.567 1.00 0.00 H new ATOM 0 HA MET A 77 5.114 20.424 -4.682 1.00 0.00 H new ATOM 0 HB2 MET A 77 7.231 19.038 -3.022 1.00 0.00 H new ATOM 0 HB3 MET A 77 7.646 19.783 -4.553 1.00 0.00 H new ATOM 0 HG2 MET A 77 6.109 21.399 -2.540 1.00 0.00 H new ATOM 0 HG3 MET A 77 7.816 21.114 -2.260 1.00 0.00 H new ATOM 0 HE1 MET A 77 9.134 24.175 -3.865 1.00 0.00 H new ATOM 0 HE2 MET A 77 8.396 23.677 -2.324 1.00 0.00 H new ATOM 0 HE3 MET A 77 9.595 22.628 -3.116 1.00 0.00 H new ATOM 1204 N ALA A 78 5.194 18.822 -6.551 1.00 0.00 N ATOM 1205 CA ALA A 78 5.214 17.900 -7.680 1.00 0.00 C ATOM 1206 C ALA A 78 6.396 16.942 -7.585 1.00 0.00 C ATOM 1207 O ALA A 78 6.282 15.763 -7.924 1.00 0.00 O ATOM 1208 CB ALA A 78 5.261 18.672 -8.991 1.00 0.00 C ATOM 0 H ALA A 78 4.841 19.753 -6.773 1.00 0.00 H new ATOM 0 HA ALA A 78 4.298 17.309 -7.652 1.00 0.00 H new ATOM 0 HB1 ALA A 78 5.276 17.971 -9.826 1.00 0.00 H new ATOM 0 HB2 ALA A 78 4.381 19.311 -9.069 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.160 19.288 -9.019 1.00 0.00 H new ATOM 1214 N PHE A 79 7.532 17.454 -7.124 1.00 0.00 N ATOM 1215 CA PHE A 79 8.736 16.644 -6.986 1.00 0.00 C ATOM 1216 C PHE A 79 8.641 15.731 -5.767 1.00 0.00 C ATOM 1217 O PHE A 79 8.661 14.506 -5.891 1.00 0.00 O ATOM 1218 CB PHE A 79 9.970 17.541 -6.871 1.00 0.00 C ATOM 1219 CG PHE A 79 11.108 16.903 -6.126 1.00 0.00 C ATOM 1220 CD1 PHE A 79 11.806 15.841 -6.678 1.00 0.00 C ATOM 1221 CD2 PHE A 79 11.479 17.365 -4.873 1.00 0.00 C ATOM 1222 CE1 PHE A 79 12.853 15.252 -5.995 1.00 0.00 C ATOM 1223 CE2 PHE A 79 12.526 16.780 -4.186 1.00 0.00 C ATOM 1224 CZ PHE A 79 13.213 15.721 -4.747 1.00 0.00 C ATOM 0 H PHE A 79 7.644 18.427 -6.839 1.00 0.00 H new ATOM 0 HA PHE A 79 8.829 16.023 -7.877 1.00 0.00 H new ATOM 0 HB2 PHE A 79 10.307 17.811 -7.872 1.00 0.00 H new ATOM 0 HB3 PHE A 79 9.691 18.467 -6.368 1.00 0.00 H new ATOM 0 HD1 PHE A 79 11.529 15.469 -7.653 1.00 0.00 H new ATOM 0 HD2 PHE A 79 10.944 18.191 -4.429 1.00 0.00 H new ATOM 0 HE1 PHE A 79 13.389 14.425 -6.437 1.00 0.00 H new ATOM 0 HE2 PHE A 79 12.807 17.151 -3.211 1.00 0.00 H new ATOM 0 HZ PHE A 79 14.030 15.261 -4.211 1.00 0.00 H new ATOM 1234 N LYS A 80 8.538 16.336 -4.589 1.00 0.00 N ATOM 1235 CA LYS A 80 8.439 15.580 -3.346 1.00 0.00 C ATOM 1236 C LYS A 80 7.337 14.530 -3.434 1.00 0.00 C ATOM 1237 O LYS A 80 7.575 13.347 -3.192 1.00 0.00 O ATOM 1238 CB LYS A 80 8.166 16.524 -2.172 1.00 0.00 C ATOM 1239 CG LYS A 80 9.251 17.566 -1.964 1.00 0.00 C ATOM 1240 CD LYS A 80 10.338 17.061 -1.030 1.00 0.00 C ATOM 1241 CE LYS A 80 11.366 18.142 -0.734 1.00 0.00 C ATOM 1242 NZ LYS A 80 10.874 19.110 0.285 1.00 0.00 N ATOM 0 H LYS A 80 8.521 17.349 -4.469 1.00 0.00 H new ATOM 0 HA LYS A 80 9.389 15.071 -3.183 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.215 17.030 -2.337 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.060 15.936 -1.261 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.691 17.832 -2.925 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.810 18.474 -1.553 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.888 16.720 -0.097 1.00 0.00 H new ATOM 0 HD3 LYS A 80 10.833 16.200 -1.479 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.288 17.680 -0.381 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.608 18.674 -1.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 11.603 19.831 0.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 10.008 19.570 -0.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.667 18.606 1.171 1.00 0.00 H new ATOM 1256 N GLN A 81 6.133 14.970 -3.784 1.00 0.00 N ATOM 1257 CA GLN A 81 4.995 14.066 -3.905 1.00 0.00 C ATOM 1258 C GLN A 81 5.437 12.701 -4.422 1.00 0.00 C ATOM 1259 O GLN A 81 5.333 11.697 -3.719 1.00 0.00 O ATOM 1260 CB GLN A 81 3.941 14.661 -4.840 1.00 0.00 C ATOM 1261 CG GLN A 81 3.362 15.977 -4.345 1.00 0.00 C ATOM 1262 CD GLN A 81 2.517 15.810 -3.097 1.00 0.00 C ATOM 1263 OE1 GLN A 81 3.001 15.349 -2.063 1.00 0.00 O ATOM 1264 NE2 GLN A 81 1.247 16.187 -3.187 1.00 0.00 N ATOM 0 H GLN A 81 5.920 15.946 -3.989 1.00 0.00 H new ATOM 0 HA GLN A 81 4.560 13.936 -2.914 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.385 14.816 -5.823 1.00 0.00 H new ATOM 0 HB3 GLN A 81 3.132 13.942 -4.966 1.00 0.00 H new ATOM 0 HG2 GLN A 81 4.175 16.672 -4.138 1.00 0.00 H new ATOM 0 HG3 GLN A 81 2.755 16.422 -5.133 1.00 0.00 H new ATOM 0 HE21 GLN A 81 0.888 16.564 -4.064 1.00 0.00 H new ATOM 0 HE22 GLN A 81 0.631 16.100 -2.379 1.00 0.00 H new ATOM 1273 N MET A 82 5.929 12.672 -5.656 1.00 0.00 N ATOM 1274 CA MET A 82 6.388 11.429 -6.267 1.00 0.00 C ATOM 1275 C MET A 82 7.255 10.634 -5.296 1.00 0.00 C ATOM 1276 O MET A 82 6.847 9.583 -4.804 1.00 0.00 O ATOM 1277 CB MET A 82 7.173 11.724 -7.547 1.00 0.00 C ATOM 1278 CG MET A 82 6.289 12.037 -8.743 1.00 0.00 C ATOM 1279 SD MET A 82 7.235 12.287 -10.258 1.00 0.00 S ATOM 1280 CE MET A 82 7.201 14.073 -10.387 1.00 0.00 C ATOM 0 H MET A 82 6.020 13.494 -6.253 1.00 0.00 H new ATOM 0 HA MET A 82 5.512 10.831 -6.517 1.00 0.00 H new ATOM 0 HB2 MET A 82 7.840 12.567 -7.368 1.00 0.00 H new ATOM 0 HB3 MET A 82 7.801 10.865 -7.784 1.00 0.00 H new ATOM 0 HG2 MET A 82 5.582 11.221 -8.891 1.00 0.00 H new ATOM 0 HG3 MET A 82 5.703 12.932 -8.533 1.00 0.00 H new ATOM 0 HE1 MET A 82 6.920 14.359 -11.401 1.00 0.00 H new ATOM 0 HE2 MET A 82 6.474 14.475 -9.682 1.00 0.00 H new ATOM 0 HE3 MET A 82 8.189 14.473 -10.157 1.00 0.00 H new ATOM 1290 N GLU A 83 8.453 11.143 -5.027 1.00 0.00 N ATOM 1291 CA GLU A 83 9.378 10.479 -4.115 1.00 0.00 C ATOM 1292 C GLU A 83 8.639 9.924 -2.901 1.00 0.00 C ATOM 1293 O GLU A 83 8.946 8.833 -2.421 1.00 0.00 O ATOM 1294 CB GLU A 83 10.469 11.450 -3.662 1.00 0.00 C ATOM 1295 CG GLU A 83 11.419 10.861 -2.633 1.00 0.00 C ATOM 1296 CD GLU A 83 12.150 11.925 -1.838 1.00 0.00 C ATOM 1297 OE1 GLU A 83 13.163 12.453 -2.342 1.00 0.00 O ATOM 1298 OE2 GLU A 83 11.708 12.231 -0.710 1.00 0.00 O ATOM 0 H GLU A 83 8.806 12.012 -5.427 1.00 0.00 H new ATOM 0 HA GLU A 83 9.841 9.649 -4.648 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.042 11.771 -4.532 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.000 12.341 -3.243 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.858 10.223 -1.950 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.147 10.226 -3.138 1.00 0.00 H new ATOM 1305 N GLN A 84 7.665 10.683 -2.410 1.00 0.00 N ATOM 1306 CA GLN A 84 6.884 10.268 -1.251 1.00 0.00 C ATOM 1307 C GLN A 84 6.271 8.889 -1.473 1.00 0.00 C ATOM 1308 O GLN A 84 6.265 8.050 -0.572 1.00 0.00 O ATOM 1309 CB GLN A 84 5.782 11.288 -0.960 1.00 0.00 C ATOM 1310 CG GLN A 84 5.401 11.370 0.510 1.00 0.00 C ATOM 1311 CD GLN A 84 6.451 12.075 1.346 1.00 0.00 C ATOM 1312 OE1 GLN A 84 7.229 12.881 0.836 1.00 0.00 O ATOM 1313 NE2 GLN A 84 6.478 11.773 2.639 1.00 0.00 N ATOM 0 H GLN A 84 7.398 11.588 -2.797 1.00 0.00 H new ATOM 0 HA GLN A 84 7.555 10.214 -0.393 1.00 0.00 H new ATOM 0 HB2 GLN A 84 6.110 12.271 -1.297 1.00 0.00 H new ATOM 0 HB3 GLN A 84 4.897 11.031 -1.542 1.00 0.00 H new ATOM 0 HG2 GLN A 84 4.451 11.896 0.607 1.00 0.00 H new ATOM 0 HG3 GLN A 84 5.248 10.363 0.899 1.00 0.00 H new ATOM 0 HE21 GLN A 84 5.814 11.099 3.019 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.163 12.215 3.252 1.00 0.00 H new ATOM 1322 N ILE A 85 5.757 8.663 -2.677 1.00 0.00 N ATOM 1323 CA ILE A 85 5.143 7.386 -3.017 1.00 0.00 C ATOM 1324 C ILE A 85 6.165 6.255 -2.974 1.00 0.00 C ATOM 1325 O ILE A 85 5.895 5.180 -2.439 1.00 0.00 O ATOM 1326 CB ILE A 85 4.496 7.426 -4.414 1.00 0.00 C ATOM 1327 CG1 ILE A 85 3.496 8.580 -4.504 1.00 0.00 C ATOM 1328 CG2 ILE A 85 3.814 6.101 -4.720 1.00 0.00 C ATOM 1329 CD1 ILE A 85 3.124 8.948 -5.923 1.00 0.00 C ATOM 0 H ILE A 85 5.754 9.348 -3.433 1.00 0.00 H new ATOM 0 HA ILE A 85 4.369 7.201 -2.273 1.00 0.00 H new ATOM 0 HB ILE A 85 5.278 7.589 -5.156 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.592 8.310 -3.958 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.918 9.455 -4.009 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.361 6.145 -5.711 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.550 5.298 -4.693 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.041 5.909 -3.976 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.412 9.773 -5.910 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.019 9.250 -6.467 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.673 8.087 -6.416 1.00 0.00 H new ATOM 1341 N SER A 86 7.341 6.506 -3.541 1.00 0.00 N ATOM 1342 CA SER A 86 8.404 5.509 -3.570 1.00 0.00 C ATOM 1343 C SER A 86 8.738 5.030 -2.161 1.00 0.00 C ATOM 1344 O SER A 86 8.917 3.835 -1.927 1.00 0.00 O ATOM 1345 CB SER A 86 9.656 6.086 -4.235 1.00 0.00 C ATOM 1346 OG SER A 86 10.651 5.090 -4.399 1.00 0.00 O ATOM 0 H SER A 86 7.581 7.392 -3.986 1.00 0.00 H new ATOM 0 HA SER A 86 8.053 4.656 -4.151 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.395 6.507 -5.206 1.00 0.00 H new ATOM 0 HB3 SER A 86 10.050 6.902 -3.629 1.00 0.00 H new ATOM 0 HG SER A 86 11.440 5.483 -4.827 1.00 0.00 H new ATOM 1352 N GLN A 87 8.821 5.972 -1.227 1.00 0.00 N ATOM 1353 CA GLN A 87 9.134 5.646 0.160 1.00 0.00 C ATOM 1354 C GLN A 87 8.272 4.490 0.656 1.00 0.00 C ATOM 1355 O GLN A 87 8.719 3.668 1.457 1.00 0.00 O ATOM 1356 CB GLN A 87 8.928 6.871 1.052 1.00 0.00 C ATOM 1357 CG GLN A 87 9.791 8.060 0.663 1.00 0.00 C ATOM 1358 CD GLN A 87 9.805 9.143 1.724 1.00 0.00 C ATOM 1359 OE1 GLN A 87 9.923 8.860 2.916 1.00 0.00 O ATOM 1360 NE2 GLN A 87 9.684 10.394 1.294 1.00 0.00 N ATOM 0 H GLN A 87 8.676 6.966 -1.405 1.00 0.00 H new ATOM 0 HA GLN A 87 10.179 5.341 0.208 1.00 0.00 H new ATOM 0 HB2 GLN A 87 7.879 7.166 1.013 1.00 0.00 H new ATOM 0 HB3 GLN A 87 9.144 6.598 2.085 1.00 0.00 H new ATOM 0 HG2 GLN A 87 10.811 7.720 0.483 1.00 0.00 H new ATOM 0 HG3 GLN A 87 9.424 8.479 -0.274 1.00 0.00 H new ATOM 0 HE21 GLN A 87 9.589 10.583 0.296 1.00 0.00 H new ATOM 0 HE22 GLN A 87 9.687 11.165 1.962 1.00 0.00 H new ATOM 1369 N PHE A 88 7.035 4.432 0.175 1.00 0.00 N ATOM 1370 CA PHE A 88 6.109 3.377 0.571 1.00 0.00 C ATOM 1371 C PHE A 88 6.436 2.070 -0.146 1.00 0.00 C ATOM 1372 O PHE A 88 6.504 1.008 0.475 1.00 0.00 O ATOM 1373 CB PHE A 88 4.668 3.792 0.266 1.00 0.00 C ATOM 1374 CG PHE A 88 3.720 2.632 0.161 1.00 0.00 C ATOM 1375 CD1 PHE A 88 3.604 1.720 1.198 1.00 0.00 C ATOM 1376 CD2 PHE A 88 2.943 2.455 -0.972 1.00 0.00 C ATOM 1377 CE1 PHE A 88 2.732 0.651 1.104 1.00 0.00 C ATOM 1378 CE2 PHE A 88 2.069 1.389 -1.072 1.00 0.00 C ATOM 1379 CZ PHE A 88 1.963 0.486 -0.032 1.00 0.00 C ATOM 0 H PHE A 88 6.650 5.103 -0.490 1.00 0.00 H new ATOM 0 HA PHE A 88 6.215 3.219 1.644 1.00 0.00 H new ATOM 0 HB2 PHE A 88 4.319 4.466 1.048 1.00 0.00 H new ATOM 0 HB3 PHE A 88 4.650 4.352 -0.669 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.201 1.846 2.089 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.021 3.159 -1.787 1.00 0.00 H new ATOM 0 HE1 PHE A 88 2.652 -0.054 1.918 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.470 1.262 -1.962 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.280 -0.347 -0.107 1.00 0.00 H new ATOM 1389 N LEU A 89 6.638 2.155 -1.456 1.00 0.00 N ATOM 1390 CA LEU A 89 6.958 0.980 -2.259 1.00 0.00 C ATOM 1391 C LEU A 89 8.238 0.314 -1.764 1.00 0.00 C ATOM 1392 O LEU A 89 8.251 -0.878 -1.459 1.00 0.00 O ATOM 1393 CB LEU A 89 7.107 1.368 -3.731 1.00 0.00 C ATOM 1394 CG LEU A 89 5.952 2.169 -4.334 1.00 0.00 C ATOM 1395 CD1 LEU A 89 6.337 2.712 -5.701 1.00 0.00 C ATOM 1396 CD2 LEU A 89 4.701 1.310 -4.431 1.00 0.00 C ATOM 0 H LEU A 89 6.586 3.026 -1.985 1.00 0.00 H new ATOM 0 HA LEU A 89 6.138 0.268 -2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.023 1.949 -3.842 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.235 0.457 -4.315 1.00 0.00 H new ATOM 0 HG LEU A 89 5.738 3.013 -3.678 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.503 3.279 -6.115 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.206 3.363 -5.602 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.578 1.883 -6.367 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.890 1.896 -4.862 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.901 0.446 -5.065 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.414 0.971 -3.436 1.00 0.00 H new ATOM 1408 N GLN A 90 9.312 1.094 -1.686 1.00 0.00 N ATOM 1409 CA GLN A 90 10.597 0.580 -1.227 1.00 0.00 C ATOM 1410 C GLN A 90 10.412 -0.380 -0.056 1.00 0.00 C ATOM 1411 O GLN A 90 11.131 -1.371 0.066 1.00 0.00 O ATOM 1412 CB GLN A 90 11.514 1.733 -0.817 1.00 0.00 C ATOM 1413 CG GLN A 90 12.028 2.549 -1.992 1.00 0.00 C ATOM 1414 CD GLN A 90 13.201 1.890 -2.691 1.00 0.00 C ATOM 1415 OE1 GLN A 90 14.359 2.198 -2.408 1.00 0.00 O ATOM 1416 NE2 GLN A 90 12.907 0.978 -3.610 1.00 0.00 N ATOM 0 H GLN A 90 9.318 2.083 -1.935 1.00 0.00 H new ATOM 0 HA GLN A 90 11.057 0.035 -2.051 1.00 0.00 H new ATOM 0 HB2 GLN A 90 10.974 2.391 -0.137 1.00 0.00 H new ATOM 0 HB3 GLN A 90 12.364 1.332 -0.265 1.00 0.00 H new ATOM 0 HG2 GLN A 90 11.220 2.697 -2.708 1.00 0.00 H new ATOM 0 HG3 GLN A 90 12.327 3.536 -1.641 1.00 0.00 H new ATOM 0 HE21 GLN A 90 11.933 0.754 -3.813 1.00 0.00 H new ATOM 0 HE22 GLN A 90 13.655 0.502 -4.113 1.00 0.00 H new ATOM 1425 N ALA A 91 9.444 -0.078 0.803 1.00 0.00 N ATOM 1426 CA ALA A 91 9.163 -0.915 1.963 1.00 0.00 C ATOM 1427 C ALA A 91 8.097 -1.957 1.644 1.00 0.00 C ATOM 1428 O ALA A 91 8.077 -3.039 2.230 1.00 0.00 O ATOM 1429 CB ALA A 91 8.729 -0.056 3.141 1.00 0.00 C ATOM 0 H ALA A 91 8.841 0.740 0.717 1.00 0.00 H new ATOM 0 HA ALA A 91 10.079 -1.442 2.230 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.522 -0.694 4.000 1.00 0.00 H new ATOM 0 HB2 ALA A 91 9.525 0.645 3.393 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.828 0.498 2.875 1.00 0.00 H new ATOM 1435 N ALA A 92 7.211 -1.623 0.711 1.00 0.00 N ATOM 1436 CA ALA A 92 6.142 -2.531 0.314 1.00 0.00 C ATOM 1437 C ALA A 92 6.675 -3.942 0.091 1.00 0.00 C ATOM 1438 O ALA A 92 6.164 -4.905 0.661 1.00 0.00 O ATOM 1439 CB ALA A 92 5.455 -2.019 -0.944 1.00 0.00 C ATOM 0 H ALA A 92 7.213 -0.731 0.216 1.00 0.00 H new ATOM 0 HA ALA A 92 5.413 -2.570 1.123 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.659 -2.707 -1.229 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.031 -1.033 -0.752 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.182 -1.950 -1.753 1.00 0.00 H new ATOM 1445 N GLU A 93 7.704 -4.057 -0.743 1.00 0.00 N ATOM 1446 CA GLU A 93 8.304 -5.352 -1.042 1.00 0.00 C ATOM 1447 C GLU A 93 9.066 -5.889 0.166 1.00 0.00 C ATOM 1448 O GLU A 93 9.040 -7.088 0.446 1.00 0.00 O ATOM 1449 CB GLU A 93 9.245 -5.238 -2.243 1.00 0.00 C ATOM 1450 CG GLU A 93 10.391 -4.264 -2.029 1.00 0.00 C ATOM 1451 CD GLU A 93 11.616 -4.927 -1.430 1.00 0.00 C ATOM 1452 OE1 GLU A 93 11.487 -6.060 -0.920 1.00 0.00 O ATOM 1453 OE2 GLU A 93 12.703 -4.315 -1.471 1.00 0.00 O ATOM 0 H GLU A 93 8.139 -3.269 -1.223 1.00 0.00 H new ATOM 0 HA GLU A 93 7.502 -6.049 -1.284 1.00 0.00 H new ATOM 0 HB2 GLU A 93 9.654 -6.223 -2.468 1.00 0.00 H new ATOM 0 HB3 GLU A 93 8.671 -4.924 -3.115 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.659 -3.809 -2.982 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.061 -3.459 -1.373 1.00 0.00 H new ATOM 1460 N ARG A 94 9.745 -4.994 0.877 1.00 0.00 N ATOM 1461 CA ARG A 94 10.516 -5.378 2.053 1.00 0.00 C ATOM 1462 C ARG A 94 9.617 -6.017 3.107 1.00 0.00 C ATOM 1463 O ARG A 94 10.098 -6.674 4.032 1.00 0.00 O ATOM 1464 CB ARG A 94 11.226 -4.159 2.643 1.00 0.00 C ATOM 1465 CG ARG A 94 12.471 -3.747 1.874 1.00 0.00 C ATOM 1466 CD ARG A 94 13.708 -4.466 2.389 1.00 0.00 C ATOM 1467 NE ARG A 94 14.911 -4.075 1.660 1.00 0.00 N ATOM 1468 CZ ARG A 94 16.143 -4.267 2.119 1.00 0.00 C ATOM 1469 NH1 ARG A 94 16.333 -4.842 3.298 1.00 0.00 N ATOM 1470 NH2 ARG A 94 17.188 -3.884 1.397 1.00 0.00 N ATOM 0 H ARG A 94 9.777 -3.998 0.659 1.00 0.00 H new ATOM 0 HA ARG A 94 11.262 -6.110 1.745 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.530 -3.320 2.667 1.00 0.00 H new ATOM 0 HB3 ARG A 94 11.502 -4.374 3.675 1.00 0.00 H new ATOM 0 HG2 ARG A 94 12.335 -3.967 0.815 1.00 0.00 H new ATOM 0 HG3 ARG A 94 12.613 -2.670 1.960 1.00 0.00 H new ATOM 0 HD2 ARG A 94 13.839 -4.248 3.449 1.00 0.00 H new ATOM 0 HD3 ARG A 94 13.565 -5.543 2.301 1.00 0.00 H new ATOM 0 HE ARG A 94 14.800 -3.630 0.749 1.00 0.00 H new ATOM 0 HH11 ARG A 94 15.532 -5.139 3.856 1.00 0.00 H new ATOM 0 HH12 ARG A 94 17.280 -4.988 3.648 1.00 0.00 H new ATOM 0 HH21 ARG A 94 17.046 -3.442 0.489 1.00 0.00 H new ATOM 0 HH22 ARG A 94 18.133 -4.032 1.750 1.00 0.00 H new ATOM 1484 N TYR A 95 8.312 -5.820 2.963 1.00 0.00 N ATOM 1485 CA TYR A 95 7.346 -6.374 3.904 1.00 0.00 C ATOM 1486 C TYR A 95 7.020 -7.825 3.560 1.00 0.00 C ATOM 1487 O TYR A 95 7.103 -8.710 4.410 1.00 0.00 O ATOM 1488 CB TYR A 95 6.065 -5.539 3.904 1.00 0.00 C ATOM 1489 CG TYR A 95 4.852 -6.290 4.403 1.00 0.00 C ATOM 1490 CD1 TYR A 95 4.561 -6.358 5.760 1.00 0.00 C ATOM 1491 CD2 TYR A 95 3.995 -6.932 3.517 1.00 0.00 C ATOM 1492 CE1 TYR A 95 3.454 -7.044 6.220 1.00 0.00 C ATOM 1493 CE2 TYR A 95 2.885 -7.620 3.968 1.00 0.00 C ATOM 1494 CZ TYR A 95 2.619 -7.673 5.320 1.00 0.00 C ATOM 1495 OH TYR A 95 1.514 -8.357 5.775 1.00 0.00 O ATOM 0 H TYR A 95 7.898 -5.280 2.203 1.00 0.00 H new ATOM 0 HA TYR A 95 7.790 -6.346 4.899 1.00 0.00 H new ATOM 0 HB2 TYR A 95 6.217 -4.657 4.526 1.00 0.00 H new ATOM 0 HB3 TYR A 95 5.872 -5.186 2.891 1.00 0.00 H new ATOM 0 HD1 TYR A 95 5.212 -5.866 6.467 1.00 0.00 H new ATOM 0 HD2 TYR A 95 4.200 -6.892 2.457 1.00 0.00 H new ATOM 0 HE1 TYR A 95 3.243 -7.088 7.278 1.00 0.00 H new ATOM 0 HE2 TYR A 95 2.229 -8.113 3.266 1.00 0.00 H new ATOM 0 HH TYR A 95 1.711 -9.317 5.800 1.00 0.00 H new ATOM 1505 N GLY A 96 6.649 -8.059 2.305 1.00 0.00 N ATOM 1506 CA GLY A 96 6.317 -9.403 1.869 1.00 0.00 C ATOM 1507 C GLY A 96 5.827 -9.443 0.435 1.00 0.00 C ATOM 1508 O GLY A 96 6.057 -10.419 -0.279 1.00 0.00 O ATOM 0 H GLY A 96 6.572 -7.343 1.583 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.195 -10.041 1.967 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.549 -9.815 2.524 1.00 0.00 H new ATOM 1512 N ILE A 97 5.150 -8.380 0.013 1.00 0.00 N ATOM 1513 CA ILE A 97 4.627 -8.298 -1.345 1.00 0.00 C ATOM 1514 C ILE A 97 5.744 -8.434 -2.374 1.00 0.00 C ATOM 1515 O ILE A 97 6.868 -7.988 -2.147 1.00 0.00 O ATOM 1516 CB ILE A 97 3.883 -6.970 -1.582 1.00 0.00 C ATOM 1517 CG1 ILE A 97 2.807 -6.765 -0.514 1.00 0.00 C ATOM 1518 CG2 ILE A 97 3.267 -6.950 -2.973 1.00 0.00 C ATOM 1519 CD1 ILE A 97 2.197 -5.381 -0.530 1.00 0.00 C ATOM 0 H ILE A 97 4.951 -7.564 0.592 1.00 0.00 H new ATOM 0 HA ILE A 97 3.926 -9.124 -1.464 1.00 0.00 H new ATOM 0 HB ILE A 97 4.599 -6.151 -1.511 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.018 -7.503 -0.658 1.00 0.00 H new ATOM 0 HG13 ILE A 97 3.241 -6.951 0.468 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.745 -6.006 -3.126 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.053 -7.055 -3.721 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.561 -7.775 -3.070 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.442 -5.307 0.253 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.975 -4.638 -0.355 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.733 -5.199 -1.499 1.00 0.00 H new ATOM 1531 N ASN A 98 5.425 -9.051 -3.507 1.00 0.00 N ATOM 1532 CA ASN A 98 6.402 -9.244 -4.573 1.00 0.00 C ATOM 1533 C ASN A 98 6.428 -8.041 -5.511 1.00 0.00 C ATOM 1534 O ASN A 98 5.481 -7.255 -5.559 1.00 0.00 O ATOM 1535 CB ASN A 98 6.082 -10.515 -5.362 1.00 0.00 C ATOM 1536 CG ASN A 98 7.236 -10.956 -6.241 1.00 0.00 C ATOM 1537 OD1 ASN A 98 8.334 -10.405 -6.165 1.00 0.00 O ATOM 1538 ND2 ASN A 98 6.992 -11.955 -7.082 1.00 0.00 N ATOM 0 H ASN A 98 4.498 -9.426 -3.711 1.00 0.00 H new ATOM 0 HA ASN A 98 7.386 -9.347 -4.116 1.00 0.00 H new ATOM 0 HB2 ASN A 98 5.831 -11.317 -4.668 1.00 0.00 H new ATOM 0 HB3 ASN A 98 5.202 -10.343 -5.982 1.00 0.00 H new ATOM 0 HD21 ASN A 98 7.730 -12.295 -7.698 1.00 0.00 H new ATOM 0 HD22 ASN A 98 6.066 -12.382 -7.111 1.00 0.00 H new ATOM 1545 N THR A 99 7.519 -7.904 -6.259 1.00 0.00 N ATOM 1546 CA THR A 99 7.670 -6.798 -7.196 1.00 0.00 C ATOM 1547 C THR A 99 6.978 -7.102 -8.520 1.00 0.00 C ATOM 1548 O THR A 99 7.336 -6.549 -9.561 1.00 0.00 O ATOM 1549 CB THR A 99 9.154 -6.487 -7.464 1.00 0.00 C ATOM 1550 OG1 THR A 99 9.827 -7.666 -7.922 1.00 0.00 O ATOM 1551 CG2 THR A 99 9.834 -5.966 -6.207 1.00 0.00 C ATOM 0 H THR A 99 8.311 -8.546 -6.234 1.00 0.00 H new ATOM 0 HA THR A 99 7.202 -5.927 -6.736 1.00 0.00 H new ATOM 0 HB THR A 99 9.207 -5.716 -8.233 1.00 0.00 H new ATOM 0 HG1 THR A 99 10.770 -7.459 -8.092 1.00 0.00 H new ATOM 0 HG21 THR A 99 10.881 -5.753 -6.421 1.00 0.00 H new ATOM 0 HG22 THR A 99 9.339 -5.053 -5.877 1.00 0.00 H new ATOM 0 HG23 THR A 99 9.770 -6.718 -5.420 1.00 0.00 H new ATOM 1559 N THR A 100 5.985 -7.984 -8.475 1.00 0.00 N ATOM 1560 CA THR A 100 5.243 -8.361 -9.672 1.00 0.00 C ATOM 1561 C THR A 100 3.874 -7.692 -9.703 1.00 0.00 C ATOM 1562 O THR A 100 3.255 -7.572 -10.761 1.00 0.00 O ATOM 1563 CB THR A 100 5.058 -9.888 -9.760 1.00 0.00 C ATOM 1564 OG1 THR A 100 4.992 -10.450 -8.445 1.00 0.00 O ATOM 1565 CG2 THR A 100 6.202 -10.527 -10.534 1.00 0.00 C ATOM 0 H THR A 100 5.676 -8.451 -7.623 1.00 0.00 H new ATOM 0 HA THR A 100 5.829 -8.023 -10.527 1.00 0.00 H new ATOM 0 HB THR A 100 4.126 -10.090 -10.287 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.873 -11.421 -8.510 1.00 0.00 H new ATOM 0 HG21 THR A 100 6.050 -11.605 -10.583 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.231 -10.118 -11.544 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.145 -10.316 -10.030 1.00 0.00 H new ATOM 1573 N ASP A 101 3.406 -7.258 -8.539 1.00 0.00 N ATOM 1574 CA ASP A 101 2.109 -6.598 -8.434 1.00 0.00 C ATOM 1575 C ASP A 101 2.271 -5.147 -7.994 1.00 0.00 C ATOM 1576 O ASP A 101 1.317 -4.369 -8.024 1.00 0.00 O ATOM 1577 CB ASP A 101 1.212 -7.346 -7.446 1.00 0.00 C ATOM 1578 CG ASP A 101 0.380 -8.420 -8.118 1.00 0.00 C ATOM 1579 OD1 ASP A 101 -0.330 -8.098 -9.094 1.00 0.00 O ATOM 1580 OD2 ASP A 101 0.439 -9.584 -7.668 1.00 0.00 O ATOM 0 H ASP A 101 3.905 -7.351 -7.654 1.00 0.00 H new ATOM 0 HA ASP A 101 1.642 -6.610 -9.419 1.00 0.00 H new ATOM 0 HB2 ASP A 101 1.830 -7.801 -6.671 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.551 -6.635 -6.950 1.00 0.00 H new ATOM 1585 N ILE A 102 3.485 -4.789 -7.586 1.00 0.00 N ATOM 1586 CA ILE A 102 3.771 -3.431 -7.141 1.00 0.00 C ATOM 1587 C ILE A 102 3.702 -2.446 -8.303 1.00 0.00 C ATOM 1588 O ILE A 102 4.349 -2.637 -9.332 1.00 0.00 O ATOM 1589 CB ILE A 102 5.161 -3.336 -6.484 1.00 0.00 C ATOM 1590 CG1 ILE A 102 5.176 -4.102 -5.159 1.00 0.00 C ATOM 1591 CG2 ILE A 102 5.544 -1.880 -6.264 1.00 0.00 C ATOM 1592 CD1 ILE A 102 6.507 -4.044 -4.443 1.00 0.00 C ATOM 0 H ILE A 102 4.285 -5.421 -7.555 1.00 0.00 H new ATOM 0 HA ILE A 102 3.011 -3.173 -6.404 1.00 0.00 H new ATOM 0 HB ILE A 102 5.894 -3.788 -7.152 1.00 0.00 H new ATOM 0 HG12 ILE A 102 4.403 -3.697 -4.506 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.919 -5.144 -5.348 1.00 0.00 H new ATOM 0 HG21 ILE A 102 6.529 -1.829 -5.799 1.00 0.00 H new ATOM 0 HG22 ILE A 102 5.568 -1.361 -7.222 1.00 0.00 H new ATOM 0 HG23 ILE A 102 4.810 -1.405 -5.613 1.00 0.00 H new ATOM 0 HD11 ILE A 102 6.444 -4.608 -3.512 1.00 0.00 H new ATOM 0 HD12 ILE A 102 7.281 -4.476 -5.078 1.00 0.00 H new ATOM 0 HD13 ILE A 102 6.756 -3.006 -4.222 1.00 0.00 H new ATOM 1604 N PHE A 103 2.914 -1.390 -8.130 1.00 0.00 N ATOM 1605 CA PHE A 103 2.760 -0.373 -9.163 1.00 0.00 C ATOM 1606 C PHE A 103 3.992 0.525 -9.229 1.00 0.00 C ATOM 1607 O PHE A 103 4.886 0.432 -8.389 1.00 0.00 O ATOM 1608 CB PHE A 103 1.513 0.472 -8.896 1.00 0.00 C ATOM 1609 CG PHE A 103 1.578 1.248 -7.612 1.00 0.00 C ATOM 1610 CD1 PHE A 103 1.282 0.639 -6.403 1.00 0.00 C ATOM 1611 CD2 PHE A 103 1.936 2.586 -7.614 1.00 0.00 C ATOM 1612 CE1 PHE A 103 1.340 1.351 -5.220 1.00 0.00 C ATOM 1613 CE2 PHE A 103 1.997 3.304 -6.434 1.00 0.00 C ATOM 1614 CZ PHE A 103 1.699 2.685 -5.235 1.00 0.00 C ATOM 0 H PHE A 103 2.372 -1.216 -7.284 1.00 0.00 H new ATOM 0 HA PHE A 103 2.648 -0.879 -10.122 1.00 0.00 H new ATOM 0 HB2 PHE A 103 1.370 1.166 -9.724 1.00 0.00 H new ATOM 0 HB3 PHE A 103 0.640 -0.180 -8.873 1.00 0.00 H new ATOM 0 HD1 PHE A 103 1.003 -0.404 -6.385 1.00 0.00 H new ATOM 0 HD2 PHE A 103 2.170 3.074 -8.548 1.00 0.00 H new ATOM 0 HE1 PHE A 103 1.105 0.865 -4.285 1.00 0.00 H new ATOM 0 HE2 PHE A 103 2.277 4.347 -6.449 1.00 0.00 H new ATOM 0 HZ PHE A 103 1.747 3.243 -4.312 1.00 0.00 H new ATOM 1624 N GLN A 104 4.030 1.394 -10.234 1.00 0.00 N ATOM 1625 CA GLN A 104 5.152 2.309 -10.411 1.00 0.00 C ATOM 1626 C GLN A 104 4.812 3.697 -9.880 1.00 0.00 C ATOM 1627 O GLN A 104 3.644 4.085 -9.826 1.00 0.00 O ATOM 1628 CB GLN A 104 5.538 2.396 -11.889 1.00 0.00 C ATOM 1629 CG GLN A 104 6.486 1.295 -12.335 1.00 0.00 C ATOM 1630 CD GLN A 104 6.390 1.009 -13.821 1.00 0.00 C ATOM 1631 OE1 GLN A 104 6.056 1.890 -14.614 1.00 0.00 O ATOM 1632 NE2 GLN A 104 6.683 -0.228 -14.207 1.00 0.00 N ATOM 0 H GLN A 104 3.297 1.484 -10.938 1.00 0.00 H new ATOM 0 HA GLN A 104 5.998 1.920 -9.844 1.00 0.00 H new ATOM 0 HB2 GLN A 104 4.633 2.353 -12.495 1.00 0.00 H new ATOM 0 HB3 GLN A 104 6.003 3.363 -12.078 1.00 0.00 H new ATOM 0 HG2 GLN A 104 7.509 1.580 -12.089 1.00 0.00 H new ATOM 0 HG3 GLN A 104 6.266 0.384 -11.779 1.00 0.00 H new ATOM 0 HE21 GLN A 104 6.955 -0.927 -13.516 1.00 0.00 H new ATOM 0 HE22 GLN A 104 6.636 -0.479 -15.195 1.00 0.00 H new ATOM 1641 N THR A 105 5.839 4.443 -9.487 1.00 0.00 N ATOM 1642 CA THR A 105 5.649 5.788 -8.958 1.00 0.00 C ATOM 1643 C THR A 105 4.761 6.620 -9.876 1.00 0.00 C ATOM 1644 O THR A 105 3.757 7.183 -9.441 1.00 0.00 O ATOM 1645 CB THR A 105 6.996 6.513 -8.770 1.00 0.00 C ATOM 1646 OG1 THR A 105 7.909 5.672 -8.057 1.00 0.00 O ATOM 1647 CG2 THR A 105 6.806 7.820 -8.015 1.00 0.00 C ATOM 0 H THR A 105 6.812 4.138 -9.525 1.00 0.00 H new ATOM 0 HA THR A 105 5.164 5.680 -7.988 1.00 0.00 H new ATOM 0 HB THR A 105 7.404 6.738 -9.756 1.00 0.00 H new ATOM 0 HG1 THR A 105 8.763 6.139 -7.943 1.00 0.00 H new ATOM 0 HG21 THR A 105 7.770 8.314 -7.894 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.133 8.469 -8.575 1.00 0.00 H new ATOM 0 HG23 THR A 105 6.378 7.614 -7.034 1.00 0.00 H new ATOM 1655 N VAL A 106 5.137 6.692 -11.149 1.00 0.00 N ATOM 1656 CA VAL A 106 4.373 7.454 -12.130 1.00 0.00 C ATOM 1657 C VAL A 106 2.999 6.834 -12.358 1.00 0.00 C ATOM 1658 O VAL A 106 1.996 7.541 -12.455 1.00 0.00 O ATOM 1659 CB VAL A 106 5.116 7.539 -13.476 1.00 0.00 C ATOM 1660 CG1 VAL A 106 5.374 6.148 -14.033 1.00 0.00 C ATOM 1661 CG2 VAL A 106 4.326 8.381 -14.467 1.00 0.00 C ATOM 0 H VAL A 106 5.966 6.232 -11.525 1.00 0.00 H new ATOM 0 HA VAL A 106 4.252 8.459 -11.726 1.00 0.00 H new ATOM 0 HB VAL A 106 6.079 8.021 -13.310 1.00 0.00 H new ATOM 0 HG11 VAL A 106 5.900 6.229 -14.984 1.00 0.00 H new ATOM 0 HG12 VAL A 106 5.983 5.581 -13.329 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.424 5.635 -14.186 1.00 0.00 H new ATOM 0 HG21 VAL A 106 4.865 8.431 -15.413 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.348 7.929 -14.630 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.198 9.388 -14.069 1.00 0.00 H new ATOM 1671 N ASP A 107 2.961 5.509 -12.442 1.00 0.00 N ATOM 1672 CA ASP A 107 1.710 4.792 -12.657 1.00 0.00 C ATOM 1673 C ASP A 107 0.603 5.351 -11.768 1.00 0.00 C ATOM 1674 O ASP A 107 -0.554 5.439 -12.179 1.00 0.00 O ATOM 1675 CB ASP A 107 1.898 3.299 -12.382 1.00 0.00 C ATOM 1676 CG ASP A 107 0.600 2.523 -12.488 1.00 0.00 C ATOM 1677 OD1 ASP A 107 -0.292 2.738 -11.640 1.00 0.00 O ATOM 1678 OD2 ASP A 107 0.476 1.700 -13.419 1.00 0.00 O ATOM 0 H ASP A 107 3.783 4.909 -12.364 1.00 0.00 H new ATOM 0 HA ASP A 107 1.418 4.927 -13.698 1.00 0.00 H new ATOM 0 HB2 ASP A 107 2.621 2.891 -13.088 1.00 0.00 H new ATOM 0 HB3 ASP A 107 2.317 3.166 -11.385 1.00 0.00 H new ATOM 1683 N LEU A 108 0.967 5.725 -10.546 1.00 0.00 N ATOM 1684 CA LEU A 108 0.005 6.274 -9.596 1.00 0.00 C ATOM 1685 C LEU A 108 0.027 7.799 -9.620 1.00 0.00 C ATOM 1686 O LEU A 108 -1.021 8.445 -9.603 1.00 0.00 O ATOM 1687 CB LEU A 108 0.308 5.771 -8.184 1.00 0.00 C ATOM 1688 CG LEU A 108 -0.466 6.445 -7.051 1.00 0.00 C ATOM 1689 CD1 LEU A 108 -1.911 5.970 -7.034 1.00 0.00 C ATOM 1690 CD2 LEU A 108 0.203 6.171 -5.712 1.00 0.00 C ATOM 0 H LEU A 108 1.920 5.658 -10.190 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.990 5.938 -9.889 1.00 0.00 H new ATOM 0 HB2 LEU A 108 0.104 4.701 -8.150 1.00 0.00 H new ATOM 0 HB3 LEU A 108 1.374 5.899 -7.995 1.00 0.00 H new ATOM 0 HG LEU A 108 -0.461 7.521 -7.224 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -2.446 6.461 -6.221 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.387 6.218 -7.983 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.937 4.890 -6.886 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.361 6.658 -4.917 1.00 0.00 H new ATOM 0 HD22 LEU A 108 0.230 5.096 -5.532 1.00 0.00 H new ATOM 0 HD23 LEU A 108 1.220 6.562 -5.727 1.00 0.00 H new ATOM 1702 N TRP A 109 1.226 8.368 -9.662 1.00 0.00 N ATOM 1703 CA TRP A 109 1.384 9.817 -9.691 1.00 0.00 C ATOM 1704 C TRP A 109 0.592 10.429 -10.841 1.00 0.00 C ATOM 1705 O TRP A 109 -0.253 11.298 -10.631 1.00 0.00 O ATOM 1706 CB TRP A 109 2.862 10.188 -9.819 1.00 0.00 C ATOM 1707 CG TRP A 109 3.150 11.616 -9.468 1.00 0.00 C ATOM 1708 CD1 TRP A 109 3.055 12.192 -8.233 1.00 0.00 C ATOM 1709 CD2 TRP A 109 3.577 12.649 -10.363 1.00 0.00 C ATOM 1710 NE1 TRP A 109 3.398 13.520 -8.307 1.00 0.00 N ATOM 1711 CE2 TRP A 109 3.722 13.825 -9.602 1.00 0.00 C ATOM 1712 CE3 TRP A 109 3.852 12.695 -11.732 1.00 0.00 C ATOM 1713 CZ2 TRP A 109 4.129 15.031 -10.166 1.00 0.00 C ATOM 1714 CZ3 TRP A 109 4.256 13.892 -12.291 1.00 0.00 C ATOM 1715 CH2 TRP A 109 4.392 15.047 -11.509 1.00 0.00 C ATOM 0 H TRP A 109 2.103 7.848 -9.677 1.00 0.00 H new ATOM 0 HA TRP A 109 0.996 10.218 -8.754 1.00 0.00 H new ATOM 0 HB2 TRP A 109 3.450 9.537 -9.172 1.00 0.00 H new ATOM 0 HB3 TRP A 109 3.189 10.000 -10.842 1.00 0.00 H new ATOM 0 HD1 TRP A 109 2.755 11.679 -7.331 1.00 0.00 H new ATOM 0 HE1 TRP A 109 3.410 14.173 -7.524 1.00 0.00 H new ATOM 0 HE3 TRP A 109 3.751 11.810 -12.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 4.233 15.922 -9.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 4.471 13.938 -13.348 1.00 0.00 H new ATOM 0 HH2 TRP A 109 4.711 15.968 -11.975 1.00 0.00 H new ATOM 1726 N GLU A 110 0.871 9.968 -12.057 1.00 0.00 N ATOM 1727 CA GLU A 110 0.184 10.472 -13.240 1.00 0.00 C ATOM 1728 C GLU A 110 -1.122 9.717 -13.473 1.00 0.00 C ATOM 1729 O GLU A 110 -2.043 10.230 -14.107 1.00 0.00 O ATOM 1730 CB GLU A 110 1.084 10.347 -14.472 1.00 0.00 C ATOM 1731 CG GLU A 110 1.952 11.569 -14.717 1.00 0.00 C ATOM 1732 CD GLU A 110 1.205 12.684 -15.423 1.00 0.00 C ATOM 1733 OE1 GLU A 110 0.288 13.266 -14.807 1.00 0.00 O ATOM 1734 OE2 GLU A 110 1.538 12.974 -16.591 1.00 0.00 O ATOM 0 H GLU A 110 1.567 9.247 -12.248 1.00 0.00 H new ATOM 0 HA GLU A 110 -0.048 11.524 -13.073 1.00 0.00 H new ATOM 0 HB2 GLU A 110 1.725 9.473 -14.356 1.00 0.00 H new ATOM 0 HB3 GLU A 110 0.462 10.171 -15.350 1.00 0.00 H new ATOM 0 HG2 GLU A 110 2.331 11.938 -13.764 1.00 0.00 H new ATOM 0 HG3 GLU A 110 2.817 11.281 -15.314 1.00 0.00 H new ATOM 1741 N GLY A 111 -1.193 8.495 -12.955 1.00 0.00 N ATOM 1742 CA GLY A 111 -2.389 7.689 -13.117 1.00 0.00 C ATOM 1743 C GLY A 111 -2.426 6.968 -14.450 1.00 0.00 C ATOM 1744 O GLY A 111 -3.468 6.907 -15.103 1.00 0.00 O ATOM 0 H GLY A 111 -0.444 8.049 -12.426 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -2.443 6.958 -12.310 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -3.268 8.327 -13.028 1.00 0.00 H new ATOM 1748 N LYS A 112 -1.286 6.421 -14.857 1.00 0.00 N ATOM 1749 CA LYS A 112 -1.190 5.701 -16.121 1.00 0.00 C ATOM 1750 C LYS A 112 -2.016 4.419 -16.081 1.00 0.00 C ATOM 1751 O LYS A 112 -2.983 4.269 -16.826 1.00 0.00 O ATOM 1752 CB LYS A 112 0.271 5.370 -16.434 1.00 0.00 C ATOM 1753 CG LYS A 112 1.155 6.596 -16.576 1.00 0.00 C ATOM 1754 CD LYS A 112 1.113 7.154 -17.989 1.00 0.00 C ATOM 1755 CE LYS A 112 -0.058 8.107 -18.178 1.00 0.00 C ATOM 1756 NZ LYS A 112 0.230 9.141 -19.210 1.00 0.00 N ATOM 0 H LYS A 112 -0.414 6.463 -14.329 1.00 0.00 H new ATOM 0 HA LYS A 112 -1.587 6.343 -16.907 1.00 0.00 H new ATOM 0 HB2 LYS A 112 0.669 4.735 -15.642 1.00 0.00 H new ATOM 0 HB3 LYS A 112 0.314 4.792 -17.357 1.00 0.00 H new ATOM 0 HG2 LYS A 112 0.832 7.362 -15.872 1.00 0.00 H new ATOM 0 HG3 LYS A 112 2.182 6.337 -16.316 1.00 0.00 H new ATOM 0 HD2 LYS A 112 2.046 7.675 -18.203 1.00 0.00 H new ATOM 0 HD3 LYS A 112 1.035 6.334 -18.703 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -0.944 7.541 -18.468 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -0.287 8.594 -17.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -0.592 9.771 -19.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 1.060 9.698 -18.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 0.423 8.678 -20.121 1.00 0.00 H new ATOM 1770 N ASN A 113 -1.627 3.498 -15.205 1.00 0.00 N ATOM 1771 CA ASN A 113 -2.333 2.229 -15.067 1.00 0.00 C ATOM 1772 C ASN A 113 -2.699 1.966 -13.609 1.00 0.00 C ATOM 1773 O ASN A 113 -2.175 1.045 -12.983 1.00 0.00 O ATOM 1774 CB ASN A 113 -1.473 1.083 -15.603 1.00 0.00 C ATOM 1775 CG ASN A 113 -1.708 0.824 -17.078 1.00 0.00 C ATOM 1776 OD1 ASN A 113 -2.411 1.582 -17.748 1.00 0.00 O ATOM 1777 ND2 ASN A 113 -1.121 -0.250 -17.592 1.00 0.00 N ATOM 0 H ASN A 113 -0.828 3.606 -14.581 1.00 0.00 H new ATOM 0 HA ASN A 113 -3.253 2.288 -15.649 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -0.421 1.316 -15.441 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -1.689 0.176 -15.039 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -1.244 -0.475 -18.579 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -0.547 -0.850 -17.000 1.00 0.00 H new ATOM 1784 N MET A 114 -3.603 2.781 -13.075 1.00 0.00 N ATOM 1785 CA MET A 114 -4.041 2.635 -11.692 1.00 0.00 C ATOM 1786 C MET A 114 -4.269 1.167 -11.346 1.00 0.00 C ATOM 1787 O MET A 114 -3.896 0.709 -10.266 1.00 0.00 O ATOM 1788 CB MET A 114 -5.324 3.433 -11.454 1.00 0.00 C ATOM 1789 CG MET A 114 -5.097 4.932 -11.350 1.00 0.00 C ATOM 1790 SD MET A 114 -6.296 5.744 -10.275 1.00 0.00 S ATOM 1791 CE MET A 114 -5.898 4.993 -8.698 1.00 0.00 C ATOM 0 H MET A 114 -4.046 3.549 -13.579 1.00 0.00 H new ATOM 0 HA MET A 114 -3.255 3.024 -11.045 1.00 0.00 H new ATOM 0 HB2 MET A 114 -6.021 3.235 -12.268 1.00 0.00 H new ATOM 0 HB3 MET A 114 -5.796 3.081 -10.537 1.00 0.00 H new ATOM 0 HG2 MET A 114 -4.092 5.118 -10.972 1.00 0.00 H new ATOM 0 HG3 MET A 114 -5.150 5.373 -12.345 1.00 0.00 H new ATOM 0 HE1 MET A 114 -6.767 4.452 -8.323 1.00 0.00 H new ATOM 0 HE2 MET A 114 -5.066 4.300 -8.825 1.00 0.00 H new ATOM 0 HE3 MET A 114 -5.619 5.769 -7.986 1.00 0.00 H new ATOM 1801 N ALA A 115 -4.884 0.435 -12.269 1.00 0.00 N ATOM 1802 CA ALA A 115 -5.160 -0.981 -12.062 1.00 0.00 C ATOM 1803 C ALA A 115 -4.060 -1.640 -11.237 1.00 0.00 C ATOM 1804 O ALA A 115 -4.323 -2.547 -10.446 1.00 0.00 O ATOM 1805 CB ALA A 115 -5.316 -1.690 -13.399 1.00 0.00 C ATOM 0 H ALA A 115 -5.201 0.799 -13.168 1.00 0.00 H new ATOM 0 HA ALA A 115 -6.094 -1.066 -11.507 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -5.522 -2.747 -13.229 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -6.142 -1.244 -13.953 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -4.396 -1.588 -13.975 1.00 0.00 H new ATOM 1811 N CYS A 116 -2.829 -1.180 -11.427 1.00 0.00 N ATOM 1812 CA CYS A 116 -1.688 -1.726 -10.701 1.00 0.00 C ATOM 1813 C CYS A 116 -1.766 -1.374 -9.219 1.00 0.00 C ATOM 1814 O CYS A 116 -1.915 -2.251 -8.369 1.00 0.00 O ATOM 1815 CB CYS A 116 -0.380 -1.200 -11.294 1.00 0.00 C ATOM 1816 SG CYS A 116 0.179 -2.097 -12.761 1.00 0.00 S ATOM 0 H CYS A 116 -2.595 -0.430 -12.078 1.00 0.00 H new ATOM 0 HA CYS A 116 -1.713 -2.811 -10.800 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -0.507 -0.148 -11.551 1.00 0.00 H new ATOM 0 HB3 CYS A 116 0.398 -1.250 -10.532 1.00 0.00 H new ATOM 0 HG CYS A 116 1.291 -1.577 -13.190 1.00 0.00 H new ATOM 1822 N VAL A 117 -1.664 -0.083 -8.917 1.00 0.00 N ATOM 1823 CA VAL A 117 -1.723 0.386 -7.538 1.00 0.00 C ATOM 1824 C VAL A 117 -3.019 -0.050 -6.864 1.00 0.00 C ATOM 1825 O VAL A 117 -3.060 -0.256 -5.651 1.00 0.00 O ATOM 1826 CB VAL A 117 -1.609 1.920 -7.462 1.00 0.00 C ATOM 1827 CG1 VAL A 117 -2.612 2.578 -8.396 1.00 0.00 C ATOM 1828 CG2 VAL A 117 -1.807 2.398 -6.031 1.00 0.00 C ATOM 0 H VAL A 117 -1.540 0.656 -9.609 1.00 0.00 H new ATOM 0 HA VAL A 117 -0.877 -0.061 -7.015 1.00 0.00 H new ATOM 0 HB VAL A 117 -0.608 2.209 -7.783 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -2.516 3.662 -8.328 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -2.418 2.260 -9.420 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -3.622 2.285 -8.110 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -1.723 3.484 -5.995 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -2.795 2.099 -5.681 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -1.045 1.954 -5.390 1.00 0.00 H new ATOM 1838 N GLN A 118 -4.075 -0.190 -7.659 1.00 0.00 N ATOM 1839 CA GLN A 118 -5.373 -0.602 -7.139 1.00 0.00 C ATOM 1840 C GLN A 118 -5.284 -1.973 -6.476 1.00 0.00 C ATOM 1841 O GLN A 118 -5.801 -2.177 -5.377 1.00 0.00 O ATOM 1842 CB GLN A 118 -6.410 -0.633 -8.263 1.00 0.00 C ATOM 1843 CG GLN A 118 -7.065 0.714 -8.523 1.00 0.00 C ATOM 1844 CD GLN A 118 -7.847 1.224 -7.328 1.00 0.00 C ATOM 1845 OE1 GLN A 118 -7.681 2.369 -6.906 1.00 0.00 O ATOM 1846 NE2 GLN A 118 -8.704 0.374 -6.775 1.00 0.00 N ATOM 0 H GLN A 118 -4.057 -0.024 -8.665 1.00 0.00 H new ATOM 0 HA GLN A 118 -5.682 0.125 -6.388 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -5.930 -0.977 -9.179 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -7.182 -1.361 -8.014 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -6.298 1.442 -8.788 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -7.733 0.629 -9.380 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -8.809 -0.566 -7.158 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -9.257 0.661 -5.967 1.00 0.00 H new ATOM 1855 N ARG A 119 -4.625 -2.909 -7.150 1.00 0.00 N ATOM 1856 CA ARG A 119 -4.469 -4.261 -6.627 1.00 0.00 C ATOM 1857 C ARG A 119 -3.380 -4.309 -5.559 1.00 0.00 C ATOM 1858 O ARG A 119 -3.525 -4.983 -4.539 1.00 0.00 O ATOM 1859 CB ARG A 119 -4.131 -5.233 -7.759 1.00 0.00 C ATOM 1860 CG ARG A 119 -4.095 -6.688 -7.322 1.00 0.00 C ATOM 1861 CD ARG A 119 -5.460 -7.345 -7.459 1.00 0.00 C ATOM 1862 NE ARG A 119 -6.289 -7.137 -6.275 1.00 0.00 N ATOM 1863 CZ ARG A 119 -7.337 -7.895 -5.969 1.00 0.00 C ATOM 1864 NH1 ARG A 119 -7.681 -8.904 -6.756 1.00 0.00 N ATOM 1865 NH2 ARG A 119 -8.042 -7.642 -4.874 1.00 0.00 N ATOM 0 H ARG A 119 -4.190 -2.756 -8.060 1.00 0.00 H new ATOM 0 HA ARG A 119 -5.414 -4.558 -6.172 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -4.867 -5.120 -8.555 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -3.162 -4.965 -8.180 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -3.366 -7.232 -7.923 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -3.763 -6.750 -6.286 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -5.970 -6.942 -8.334 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -5.332 -8.414 -7.629 1.00 0.00 H new ATOM 0 HE ARG A 119 -6.051 -6.368 -5.649 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -7.141 -9.100 -7.599 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -8.486 -9.484 -6.519 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -7.780 -6.866 -4.267 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -8.846 -8.224 -4.639 1.00 0.00 H new ATOM 1879 N THR A 120 -2.289 -3.589 -5.801 1.00 0.00 N ATOM 1880 CA THR A 120 -1.175 -3.551 -4.862 1.00 0.00 C ATOM 1881 C THR A 120 -1.665 -3.322 -3.437 1.00 0.00 C ATOM 1882 O THR A 120 -1.477 -4.168 -2.562 1.00 0.00 O ATOM 1883 CB THR A 120 -0.168 -2.445 -5.230 1.00 0.00 C ATOM 1884 OG1 THR A 120 0.336 -2.661 -6.553 1.00 0.00 O ATOM 1885 CG2 THR A 120 0.987 -2.413 -4.241 1.00 0.00 C ATOM 0 H THR A 120 -2.153 -3.024 -6.639 1.00 0.00 H new ATOM 0 HA THR A 120 -0.678 -4.519 -4.921 1.00 0.00 H new ATOM 0 HB THR A 120 -0.685 -1.486 -5.191 1.00 0.00 H new ATOM 0 HG1 THR A 120 0.484 -3.619 -6.694 1.00 0.00 H new ATOM 0 HG21 THR A 120 1.685 -1.624 -4.522 1.00 0.00 H new ATOM 0 HG22 THR A 120 0.603 -2.218 -3.240 1.00 0.00 H new ATOM 0 HG23 THR A 120 1.502 -3.374 -4.252 1.00 0.00 H new ATOM 1893 N LEU A 121 -2.295 -2.175 -3.210 1.00 0.00 N ATOM 1894 CA LEU A 121 -2.814 -1.835 -1.889 1.00 0.00 C ATOM 1895 C LEU A 121 -3.610 -2.996 -1.302 1.00 0.00 C ATOM 1896 O LEU A 121 -3.391 -3.396 -0.159 1.00 0.00 O ATOM 1897 CB LEU A 121 -3.694 -0.587 -1.971 1.00 0.00 C ATOM 1898 CG LEU A 121 -3.049 0.650 -2.595 1.00 0.00 C ATOM 1899 CD1 LEU A 121 -4.071 1.766 -2.749 1.00 0.00 C ATOM 1900 CD2 LEU A 121 -1.869 1.117 -1.756 1.00 0.00 C ATOM 0 H LEU A 121 -2.459 -1.464 -3.923 1.00 0.00 H new ATOM 0 HA LEU A 121 -1.967 -1.632 -1.234 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -4.588 -0.834 -2.544 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -4.022 -0.332 -0.963 1.00 0.00 H new ATOM 0 HG LEU A 121 -2.682 0.383 -3.586 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -3.593 2.638 -3.195 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -4.884 1.429 -3.393 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -4.470 2.032 -1.770 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -1.422 1.999 -2.215 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -2.212 1.366 -0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -1.126 0.322 -1.699 1.00 0.00 H new ATOM 1912 N MET A 122 -4.533 -3.534 -2.093 1.00 0.00 N ATOM 1913 CA MET A 122 -5.359 -4.652 -1.652 1.00 0.00 C ATOM 1914 C MET A 122 -4.501 -5.751 -1.034 1.00 0.00 C ATOM 1915 O MET A 122 -4.804 -6.254 0.047 1.00 0.00 O ATOM 1916 CB MET A 122 -6.162 -5.214 -2.826 1.00 0.00 C ATOM 1917 CG MET A 122 -7.518 -4.552 -3.008 1.00 0.00 C ATOM 1918 SD MET A 122 -8.544 -4.652 -1.528 1.00 0.00 S ATOM 1919 CE MET A 122 -9.045 -6.371 -1.580 1.00 0.00 C ATOM 0 H MET A 122 -4.727 -3.214 -3.042 1.00 0.00 H new ATOM 0 HA MET A 122 -6.049 -4.285 -0.892 1.00 0.00 H new ATOM 0 HB2 MET A 122 -5.583 -5.095 -3.742 1.00 0.00 H new ATOM 0 HB3 MET A 122 -6.306 -6.284 -2.677 1.00 0.00 H new ATOM 0 HG2 MET A 122 -7.374 -3.505 -3.275 1.00 0.00 H new ATOM 0 HG3 MET A 122 -8.040 -5.025 -3.840 1.00 0.00 H new ATOM 0 HE1 MET A 122 -10.133 -6.433 -1.585 1.00 0.00 H new ATOM 0 HE2 MET A 122 -8.651 -6.838 -2.483 1.00 0.00 H new ATOM 0 HE3 MET A 122 -8.656 -6.890 -0.704 1.00 0.00 H new ATOM 1929 N ASN A 123 -3.430 -6.121 -1.728 1.00 0.00 N ATOM 1930 CA ASN A 123 -2.529 -7.162 -1.248 1.00 0.00 C ATOM 1931 C ASN A 123 -2.012 -6.832 0.149 1.00 0.00 C ATOM 1932 O ASN A 123 -2.081 -7.658 1.060 1.00 0.00 O ATOM 1933 CB ASN A 123 -1.353 -7.333 -2.211 1.00 0.00 C ATOM 1934 CG ASN A 123 -1.754 -8.035 -3.494 1.00 0.00 C ATOM 1935 OD1 ASN A 123 -2.436 -9.060 -3.467 1.00 0.00 O ATOM 1936 ND2 ASN A 123 -1.331 -7.485 -4.627 1.00 0.00 N ATOM 0 H ASN A 123 -3.165 -5.715 -2.625 1.00 0.00 H new ATOM 0 HA ASN A 123 -3.088 -8.096 -1.199 1.00 0.00 H new ATOM 0 HB2 ASN A 123 -0.937 -6.354 -2.450 1.00 0.00 H new ATOM 0 HB3 ASN A 123 -0.564 -7.903 -1.720 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -1.569 -7.913 -5.522 1.00 0.00 H new ATOM 0 HD22 ASN A 123 -0.768 -6.635 -4.602 1.00 0.00 H new ATOM 1943 N LEU A 124 -1.496 -5.619 0.312 1.00 0.00 N ATOM 1944 CA LEU A 124 -0.968 -5.178 1.598 1.00 0.00 C ATOM 1945 C LEU A 124 -1.828 -5.696 2.746 1.00 0.00 C ATOM 1946 O LEU A 124 -1.312 -6.176 3.755 1.00 0.00 O ATOM 1947 CB LEU A 124 -0.898 -3.651 1.647 1.00 0.00 C ATOM 1948 CG LEU A 124 0.043 -3.054 2.694 1.00 0.00 C ATOM 1949 CD1 LEU A 124 1.487 -3.416 2.381 1.00 0.00 C ATOM 1950 CD2 LEU A 124 -0.127 -1.544 2.765 1.00 0.00 C ATOM 0 H LEU A 124 -1.432 -4.923 -0.431 1.00 0.00 H new ATOM 0 HA LEU A 124 0.037 -5.585 1.709 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -0.592 -3.290 0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -1.902 -3.267 1.829 1.00 0.00 H new ATOM 0 HG LEU A 124 -0.213 -3.474 3.667 1.00 0.00 H new ATOM 0 HD11 LEU A 124 2.143 -2.983 3.136 1.00 0.00 H new ATOM 0 HD12 LEU A 124 1.599 -4.500 2.382 1.00 0.00 H new ATOM 0 HD13 LEU A 124 1.756 -3.025 1.400 1.00 0.00 H new ATOM 0 HD21 LEU A 124 0.551 -1.136 3.515 1.00 0.00 H new ATOM 0 HD22 LEU A 124 0.102 -1.106 1.793 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -1.155 -1.306 3.037 1.00 0.00 H new ATOM 1962 N GLY A 125 -3.144 -5.597 2.584 1.00 0.00 N ATOM 1963 CA GLY A 125 -4.055 -6.062 3.614 1.00 0.00 C ATOM 1964 C GLY A 125 -4.119 -7.574 3.693 1.00 0.00 C ATOM 1965 O GLY A 125 -3.920 -8.157 4.758 1.00 0.00 O ATOM 0 H GLY A 125 -3.595 -5.203 1.758 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -3.741 -5.664 4.579 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -5.052 -5.669 3.417 1.00 0.00 H new ATOM 1969 N GLY A 126 -4.398 -8.213 2.561 1.00 0.00 N ATOM 1970 CA GLY A 126 -4.484 -9.662 2.528 1.00 0.00 C ATOM 1971 C GLY A 126 -3.328 -10.328 3.247 1.00 0.00 C ATOM 1972 O GLY A 126 -3.520 -11.295 3.985 1.00 0.00 O ATOM 0 H GLY A 126 -4.566 -7.753 1.666 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -5.422 -9.978 2.985 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -4.505 -9.998 1.491 1.00 0.00 H new ATOM 1976 N LEU A 127 -2.123 -9.811 3.032 1.00 0.00 N ATOM 1977 CA LEU A 127 -0.930 -10.363 3.664 1.00 0.00 C ATOM 1978 C LEU A 127 -0.963 -10.146 5.173 1.00 0.00 C ATOM 1979 O LEU A 127 -0.701 -11.066 5.948 1.00 0.00 O ATOM 1980 CB LEU A 127 0.327 -9.722 3.073 1.00 0.00 C ATOM 1981 CG LEU A 127 0.794 -10.275 1.726 1.00 0.00 C ATOM 1982 CD1 LEU A 127 1.508 -9.198 0.925 1.00 0.00 C ATOM 1983 CD2 LEU A 127 1.700 -11.481 1.929 1.00 0.00 C ATOM 0 H LEU A 127 -1.947 -9.011 2.425 1.00 0.00 H new ATOM 0 HA LEU A 127 -0.910 -11.435 3.470 1.00 0.00 H new ATOM 0 HB2 LEU A 127 0.147 -8.653 2.961 1.00 0.00 H new ATOM 0 HB3 LEU A 127 1.140 -9.835 3.791 1.00 0.00 H new ATOM 0 HG LEU A 127 -0.083 -10.596 1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 127 1.833 -9.610 -0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 127 0.828 -8.365 0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 127 2.376 -8.845 1.482 1.00 0.00 H new ATOM 0 HD21 LEU A 127 2.022 -11.861 0.960 1.00 0.00 H new ATOM 0 HD22 LEU A 127 2.573 -11.186 2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 127 1.155 -12.260 2.461 1.00 0.00 H new ATOM 1995 N ALA A 128 -1.290 -8.925 5.583 1.00 0.00 N ATOM 1996 CA ALA A 128 -1.363 -8.589 7.000 1.00 0.00 C ATOM 1997 C ALA A 128 -2.268 -9.561 7.749 1.00 0.00 C ATOM 1998 O ALA A 128 -1.877 -10.130 8.768 1.00 0.00 O ATOM 1999 CB ALA A 128 -1.856 -7.161 7.179 1.00 0.00 C ATOM 0 H ALA A 128 -1.509 -8.152 4.954 1.00 0.00 H new ATOM 0 HA ALA A 128 -0.360 -8.671 7.419 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -1.906 -6.924 8.242 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -1.168 -6.474 6.686 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -2.848 -7.061 6.738 1.00 0.00 H new ATOM 2005 N VAL A 129 -3.482 -9.746 7.238 1.00 0.00 N ATOM 2006 CA VAL A 129 -4.443 -10.649 7.859 1.00 0.00 C ATOM 2007 C VAL A 129 -3.875 -12.059 7.979 1.00 0.00 C ATOM 2008 O VAL A 129 -4.367 -12.873 8.759 1.00 0.00 O ATOM 2009 CB VAL A 129 -5.759 -10.704 7.060 1.00 0.00 C ATOM 2010 CG1 VAL A 129 -6.778 -11.582 7.770 1.00 0.00 C ATOM 2011 CG2 VAL A 129 -6.309 -9.302 6.843 1.00 0.00 C ATOM 0 H VAL A 129 -3.822 -9.282 6.396 1.00 0.00 H new ATOM 0 HA VAL A 129 -4.647 -10.257 8.855 1.00 0.00 H new ATOM 0 HB VAL A 129 -5.554 -11.144 6.084 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -7.701 -11.609 7.191 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -6.382 -12.593 7.868 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -6.982 -11.174 8.760 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -7.239 -9.359 6.277 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -6.500 -8.833 7.808 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -5.583 -8.708 6.288 1.00 0.00 H new ATOM 2021 N ALA A 130 -2.835 -12.339 7.201 1.00 0.00 N ATOM 2022 CA ALA A 130 -2.197 -13.650 7.221 1.00 0.00 C ATOM 2023 C ALA A 130 -1.004 -13.665 8.170 1.00 0.00 C ATOM 2024 O ALA A 130 -0.126 -14.522 8.066 1.00 0.00 O ATOM 2025 CB ALA A 130 -1.763 -14.047 5.818 1.00 0.00 C ATOM 0 H ALA A 130 -2.416 -11.676 6.549 1.00 0.00 H new ATOM 0 HA ALA A 130 -2.925 -14.376 7.583 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -1.288 -15.028 5.848 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -2.635 -14.086 5.165 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -1.055 -13.313 5.435 1.00 0.00 H new ATOM 2031 N ARG A 131 -0.977 -12.711 9.096 1.00 0.00 N ATOM 2032 CA ARG A 131 0.110 -12.614 10.062 1.00 0.00 C ATOM 2033 C ARG A 131 -0.413 -12.777 11.487 1.00 0.00 C ATOM 2034 O ARG A 131 -1.611 -12.958 11.702 1.00 0.00 O ATOM 2035 CB ARG A 131 0.828 -11.271 9.921 1.00 0.00 C ATOM 2036 CG ARG A 131 1.150 -10.900 8.483 1.00 0.00 C ATOM 2037 CD ARG A 131 2.517 -11.419 8.066 1.00 0.00 C ATOM 2038 NE ARG A 131 2.611 -12.872 8.187 1.00 0.00 N ATOM 2039 CZ ARG A 131 3.762 -13.530 8.266 1.00 0.00 C ATOM 2040 NH1 ARG A 131 4.911 -12.868 8.238 1.00 0.00 N ATOM 2041 NH2 ARG A 131 3.766 -14.852 8.374 1.00 0.00 N ATOM 0 H ARG A 131 -1.696 -11.995 9.197 1.00 0.00 H new ATOM 0 HA ARG A 131 0.817 -13.419 9.858 1.00 0.00 H new ATOM 0 HB2 ARG A 131 0.207 -10.489 10.359 1.00 0.00 H new ATOM 0 HB3 ARG A 131 1.754 -11.302 10.495 1.00 0.00 H new ATOM 0 HG2 ARG A 131 0.387 -11.309 7.821 1.00 0.00 H new ATOM 0 HG3 ARG A 131 1.121 -9.816 8.371 1.00 0.00 H new ATOM 0 HD2 ARG A 131 2.716 -11.127 7.035 1.00 0.00 H new ATOM 0 HD3 ARG A 131 3.285 -10.953 8.683 1.00 0.00 H new ATOM 0 HE ARG A 131 1.745 -13.411 8.212 1.00 0.00 H new ATOM 0 HH11 ARG A 131 4.912 -11.851 8.156 1.00 0.00 H new ATOM 0 HH12 ARG A 131 5.794 -13.376 8.299 1.00 0.00 H new ATOM 0 HH21 ARG A 131 2.884 -15.365 8.396 1.00 0.00 H new ATOM 0 HH22 ARG A 131 4.651 -15.356 8.435 1.00 0.00 H new ATOM 2055 N ASP A 132 0.494 -12.711 12.455 1.00 0.00 N ATOM 2056 CA ASP A 132 0.125 -12.850 13.859 1.00 0.00 C ATOM 2057 C ASP A 132 0.628 -11.663 14.674 1.00 0.00 C ATOM 2058 O ASP A 132 0.671 -11.714 15.903 1.00 0.00 O ATOM 2059 CB ASP A 132 0.688 -14.152 14.430 1.00 0.00 C ATOM 2060 CG ASP A 132 0.248 -14.396 15.860 1.00 0.00 C ATOM 2061 OD1 ASP A 132 -0.963 -14.610 16.079 1.00 0.00 O ATOM 2062 OD2 ASP A 132 1.113 -14.373 16.759 1.00 0.00 O ATOM 0 H ASP A 132 1.490 -12.562 12.293 1.00 0.00 H new ATOM 0 HA ASP A 132 -0.963 -12.875 13.922 1.00 0.00 H new ATOM 0 HB2 ASP A 132 0.367 -14.987 13.807 1.00 0.00 H new ATOM 0 HB3 ASP A 132 1.777 -14.123 14.388 1.00 0.00 H new ATOM 2067 N ASP A 133 1.010 -10.595 13.981 1.00 0.00 N ATOM 2068 CA ASP A 133 1.511 -9.395 14.639 1.00 0.00 C ATOM 2069 C ASP A 133 0.411 -8.723 15.455 1.00 0.00 C ATOM 2070 O ASP A 133 0.669 -8.152 16.513 1.00 0.00 O ATOM 2071 CB ASP A 133 2.067 -8.414 13.606 1.00 0.00 C ATOM 2072 CG ASP A 133 2.915 -9.102 12.554 1.00 0.00 C ATOM 2073 OD1 ASP A 133 3.971 -9.662 12.915 1.00 0.00 O ATOM 2074 OD2 ASP A 133 2.522 -9.080 11.369 1.00 0.00 O ATOM 0 H ASP A 133 0.982 -10.537 12.963 1.00 0.00 H new ATOM 0 HA ASP A 133 2.313 -9.691 15.316 1.00 0.00 H new ATOM 0 HB2 ASP A 133 1.241 -7.895 13.120 1.00 0.00 H new ATOM 0 HB3 ASP A 133 2.665 -7.657 14.113 1.00 0.00 H new ATOM 2079 N GLY A 134 -0.819 -8.795 14.954 1.00 0.00 N ATOM 2080 CA GLY A 134 -1.940 -8.189 15.648 1.00 0.00 C ATOM 2081 C GLY A 134 -1.938 -6.677 15.542 1.00 0.00 C ATOM 2082 O GLY A 134 -2.247 -5.979 16.509 1.00 0.00 O ATOM 0 H GLY A 134 -1.059 -9.262 14.080 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -2.871 -8.578 15.236 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -1.911 -8.477 16.699 1.00 0.00 H new ATOM 2086 N LEU A 135 -1.588 -6.168 14.366 1.00 0.00 N ATOM 2087 CA LEU A 135 -1.546 -4.728 14.137 1.00 0.00 C ATOM 2088 C LEU A 135 -2.625 -4.302 13.147 1.00 0.00 C ATOM 2089 O LEU A 135 -3.340 -3.326 13.374 1.00 0.00 O ATOM 2090 CB LEU A 135 -0.168 -4.315 13.616 1.00 0.00 C ATOM 2091 CG LEU A 135 1.031 -4.802 14.430 1.00 0.00 C ATOM 2092 CD1 LEU A 135 2.315 -4.655 13.629 1.00 0.00 C ATOM 2093 CD2 LEU A 135 1.129 -4.040 15.744 1.00 0.00 C ATOM 0 H LEU A 135 -1.329 -6.731 13.556 1.00 0.00 H new ATOM 0 HA LEU A 135 -1.734 -4.228 15.087 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -0.062 -4.683 12.595 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -0.131 -3.227 13.568 1.00 0.00 H new ATOM 0 HG LEU A 135 0.887 -5.859 14.656 1.00 0.00 H new ATOM 0 HD11 LEU A 135 3.158 -5.007 14.224 1.00 0.00 H new ATOM 0 HD12 LEU A 135 2.244 -5.246 12.716 1.00 0.00 H new ATOM 0 HD13 LEU A 135 2.465 -3.607 13.371 1.00 0.00 H new ATOM 0 HD21 LEU A 135 1.988 -4.400 16.310 1.00 0.00 H new ATOM 0 HD22 LEU A 135 1.249 -2.976 15.540 1.00 0.00 H new ATOM 0 HD23 LEU A 135 0.220 -4.198 16.325 1.00 0.00 H new ATOM 2105 N PHE A 136 -2.740 -5.042 12.049 1.00 0.00 N ATOM 2106 CA PHE A 136 -3.733 -4.742 11.025 1.00 0.00 C ATOM 2107 C PHE A 136 -5.029 -4.241 11.654 1.00 0.00 C ATOM 2108 O PHE A 136 -5.367 -4.607 12.780 1.00 0.00 O ATOM 2109 CB PHE A 136 -4.012 -5.984 10.176 1.00 0.00 C ATOM 2110 CG PHE A 136 -5.349 -5.954 9.492 1.00 0.00 C ATOM 2111 CD1 PHE A 136 -6.498 -6.325 10.172 1.00 0.00 C ATOM 2112 CD2 PHE A 136 -5.457 -5.555 8.170 1.00 0.00 C ATOM 2113 CE1 PHE A 136 -7.730 -6.299 9.545 1.00 0.00 C ATOM 2114 CE2 PHE A 136 -6.686 -5.527 7.537 1.00 0.00 C ATOM 2115 CZ PHE A 136 -7.824 -5.899 8.226 1.00 0.00 C ATOM 0 H PHE A 136 -2.157 -5.854 11.846 1.00 0.00 H new ATOM 0 HA PHE A 136 -3.332 -3.955 10.386 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -3.230 -6.083 9.423 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -3.957 -6.868 10.811 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -6.430 -6.638 11.203 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -4.571 -5.262 7.627 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -8.618 -6.591 10.086 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -6.756 -5.215 6.505 1.00 0.00 H new ATOM 0 HZ PHE A 136 -8.785 -5.877 7.734 1.00 0.00 H new ATOM 2125 N SER A 137 -5.751 -3.400 10.920 1.00 0.00 N ATOM 2126 CA SER A 137 -7.007 -2.844 11.407 1.00 0.00 C ATOM 2127 C SER A 137 -8.052 -2.806 10.295 1.00 0.00 C ATOM 2128 O SER A 137 -7.715 -2.750 9.113 1.00 0.00 O ATOM 2129 CB SER A 137 -6.785 -1.436 11.962 1.00 0.00 C ATOM 2130 OG SER A 137 -6.465 -1.476 13.341 1.00 0.00 O ATOM 0 H SER A 137 -5.487 -3.089 9.985 1.00 0.00 H new ATOM 0 HA SER A 137 -7.375 -3.488 12.206 1.00 0.00 H new ATOM 0 HB2 SER A 137 -5.980 -0.948 11.413 1.00 0.00 H new ATOM 0 HB3 SER A 137 -7.683 -0.837 11.811 1.00 0.00 H new ATOM 0 HG SER A 137 -6.326 -0.564 13.671 1.00 0.00 H new ATOM 2136 N GLY A 138 -9.323 -2.837 10.684 1.00 0.00 N ATOM 2137 CA GLY A 138 -10.398 -2.806 9.710 1.00 0.00 C ATOM 2138 C GLY A 138 -10.972 -4.182 9.435 1.00 0.00 C ATOM 2139 O GLY A 138 -10.341 -5.196 9.734 1.00 0.00 O ATOM 0 H GLY A 138 -9.627 -2.883 11.656 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -11.191 -2.150 10.070 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -10.028 -2.377 8.779 1.00 0.00 H new ATOM 2143 N ASP A 139 -12.172 -4.218 8.867 1.00 0.00 N ATOM 2144 CA ASP A 139 -12.832 -5.480 8.553 1.00 0.00 C ATOM 2145 C ASP A 139 -11.853 -6.460 7.913 1.00 0.00 C ATOM 2146 O ASP A 139 -11.389 -6.268 6.789 1.00 0.00 O ATOM 2147 CB ASP A 139 -14.018 -5.241 7.617 1.00 0.00 C ATOM 2148 CG ASP A 139 -15.090 -6.303 7.759 1.00 0.00 C ATOM 2149 OD1 ASP A 139 -15.160 -6.935 8.833 1.00 0.00 O ATOM 2150 OD2 ASP A 139 -15.859 -6.502 6.795 1.00 0.00 O ATOM 0 H ASP A 139 -12.708 -3.388 8.614 1.00 0.00 H new ATOM 0 HA ASP A 139 -13.196 -5.913 9.485 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -14.450 -4.262 7.825 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -13.665 -5.221 6.586 1.00 0.00 H new ATOM 2155 N PRO A 140 -11.530 -7.536 8.645 1.00 0.00 N ATOM 2156 CA PRO A 140 -10.603 -8.568 8.170 1.00 0.00 C ATOM 2157 C PRO A 140 -11.191 -9.396 7.033 1.00 0.00 C ATOM 2158 O PRO A 140 -10.514 -10.247 6.457 1.00 0.00 O ATOM 2159 CB PRO A 140 -10.379 -9.440 9.407 1.00 0.00 C ATOM 2160 CG PRO A 140 -11.602 -9.246 10.235 1.00 0.00 C ATOM 2161 CD PRO A 140 -12.044 -7.829 9.993 1.00 0.00 C ATOM 0 HA PRO A 140 -9.687 -8.138 7.764 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -10.248 -10.487 9.134 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -9.483 -9.137 9.948 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -12.382 -9.952 9.951 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -11.389 -9.414 11.291 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -13.129 -7.733 10.039 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -11.632 -7.147 10.737 1.00 0.00 H new ATOM 2169 N ASN A 141 -12.456 -9.142 6.714 1.00 0.00 N ATOM 2170 CA ASN A 141 -13.136 -9.865 5.646 1.00 0.00 C ATOM 2171 C ASN A 141 -12.751 -9.305 4.280 1.00 0.00 C ATOM 2172 O ASN A 141 -12.527 -10.056 3.330 1.00 0.00 O ATOM 2173 CB ASN A 141 -14.652 -9.786 5.832 1.00 0.00 C ATOM 2174 CG ASN A 141 -15.139 -10.649 6.981 1.00 0.00 C ATOM 2175 OD1 ASN A 141 -15.022 -11.873 6.945 1.00 0.00 O ATOM 2176 ND2 ASN A 141 -15.688 -10.011 8.008 1.00 0.00 N ATOM 0 H ASN A 141 -13.031 -8.440 7.180 1.00 0.00 H new ATOM 0 HA ASN A 141 -12.825 -10.909 5.693 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -14.940 -8.750 6.012 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -15.145 -10.099 4.912 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -16.033 -10.538 8.810 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -15.764 -8.994 7.995 1.00 0.00 H new ATOM 2183 N TRP A 142 -12.675 -7.982 4.189 1.00 0.00 N ATOM 2184 CA TRP A 142 -12.316 -7.321 2.939 1.00 0.00 C ATOM 2185 C TRP A 142 -11.271 -8.128 2.177 1.00 0.00 C ATOM 2186 O TRP A 142 -11.403 -8.355 0.975 1.00 0.00 O ATOM 2187 CB TRP A 142 -11.788 -5.912 3.217 1.00 0.00 C ATOM 2188 CG TRP A 142 -12.851 -4.959 3.673 1.00 0.00 C ATOM 2189 CD1 TRP A 142 -14.130 -4.873 3.205 1.00 0.00 C ATOM 2190 CD2 TRP A 142 -12.724 -3.956 4.687 1.00 0.00 C ATOM 2191 NE1 TRP A 142 -14.807 -3.876 3.866 1.00 0.00 N ATOM 2192 CE2 TRP A 142 -13.967 -3.299 4.781 1.00 0.00 C ATOM 2193 CE3 TRP A 142 -11.683 -3.550 5.527 1.00 0.00 C ATOM 2194 CZ2 TRP A 142 -14.193 -2.260 5.679 1.00 0.00 C ATOM 2195 CZ3 TRP A 142 -11.909 -2.518 6.417 1.00 0.00 C ATOM 2196 CH2 TRP A 142 -13.156 -1.883 6.489 1.00 0.00 C ATOM 0 H TRP A 142 -12.857 -7.346 4.965 1.00 0.00 H new ATOM 0 HA TRP A 142 -13.213 -7.251 2.323 1.00 0.00 H new ATOM 0 HB2 TRP A 142 -11.009 -5.967 3.977 1.00 0.00 H new ATOM 0 HB3 TRP A 142 -11.323 -5.521 2.312 1.00 0.00 H new ATOM 0 HD1 TRP A 142 -14.549 -5.497 2.429 1.00 0.00 H new ATOM 0 HE1 TRP A 142 -15.778 -3.609 3.702 1.00 0.00 H new ATOM 0 HE3 TRP A 142 -10.719 -4.035 5.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 142 -15.153 -1.768 5.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 142 -11.111 -2.195 7.069 1.00 0.00 H new ATOM 0 HH2 TRP A 142 -13.302 -1.081 7.197 1.00 0.00 H new ATOM 2207 N PHE A 143 -10.231 -8.559 2.884 1.00 0.00 N ATOM 2208 CA PHE A 143 -9.163 -9.341 2.273 1.00 0.00 C ATOM 2209 C PHE A 143 -9.255 -10.806 2.689 1.00 0.00 C ATOM 2210 O PHE A 143 -9.604 -11.135 3.823 1.00 0.00 O ATOM 2211 CB PHE A 143 -7.797 -8.772 2.666 1.00 0.00 C ATOM 2212 CG PHE A 143 -7.769 -7.272 2.729 1.00 0.00 C ATOM 2213 CD1 PHE A 143 -8.303 -6.601 3.817 1.00 0.00 C ATOM 2214 CD2 PHE A 143 -7.208 -6.533 1.700 1.00 0.00 C ATOM 2215 CE1 PHE A 143 -8.277 -5.220 3.879 1.00 0.00 C ATOM 2216 CE2 PHE A 143 -7.179 -5.152 1.756 1.00 0.00 C ATOM 2217 CZ PHE A 143 -7.716 -4.495 2.846 1.00 0.00 C ATOM 0 H PHE A 143 -10.106 -8.380 3.880 1.00 0.00 H new ATOM 0 HA PHE A 143 -9.276 -9.281 1.191 1.00 0.00 H new ATOM 0 HB2 PHE A 143 -7.511 -9.174 3.638 1.00 0.00 H new ATOM 0 HB3 PHE A 143 -7.050 -9.112 1.948 1.00 0.00 H new ATOM 0 HD1 PHE A 143 -8.745 -7.163 4.626 1.00 0.00 H new ATOM 0 HD2 PHE A 143 -6.789 -7.042 0.845 1.00 0.00 H new ATOM 0 HE1 PHE A 143 -8.695 -4.709 4.734 1.00 0.00 H new ATOM 0 HE2 PHE A 143 -6.737 -4.587 0.948 1.00 0.00 H new ATOM 0 HZ PHE A 143 -7.697 -3.416 2.890 1.00 0.00 H new ATOM 2227 N PRO A 144 -8.934 -11.708 1.750 1.00 0.00 N ATOM 2228 CA PRO A 144 -8.973 -13.153 1.994 1.00 0.00 C ATOM 2229 C PRO A 144 -7.873 -13.610 2.946 1.00 0.00 C ATOM 2230 O PRO A 144 -7.042 -12.811 3.381 1.00 0.00 O ATOM 2231 CB PRO A 144 -8.758 -13.754 0.602 1.00 0.00 C ATOM 2232 CG PRO A 144 -8.016 -12.706 -0.153 1.00 0.00 C ATOM 2233 CD PRO A 144 -8.509 -11.387 0.377 1.00 0.00 C ATOM 0 HA PRO A 144 -9.905 -13.461 2.467 1.00 0.00 H new ATOM 0 HB2 PRO A 144 -8.188 -14.682 0.655 1.00 0.00 H new ATOM 0 HB3 PRO A 144 -9.708 -13.990 0.122 1.00 0.00 H new ATOM 0 HG2 PRO A 144 -6.941 -12.808 -0.007 1.00 0.00 H new ATOM 0 HG3 PRO A 144 -8.202 -12.791 -1.224 1.00 0.00 H new ATOM 0 HD2 PRO A 144 -7.724 -10.631 0.366 1.00 0.00 H new ATOM 0 HD3 PRO A 144 -9.335 -10.998 -0.219 1.00 0.00 H new ATOM 2241 N LYS A 145 -7.873 -14.899 3.268 1.00 0.00 N ATOM 2242 CA LYS A 145 -6.874 -15.463 4.168 1.00 0.00 C ATOM 2243 C LYS A 145 -5.817 -16.240 3.390 1.00 0.00 C ATOM 2244 O LYS A 145 -6.107 -16.832 2.349 1.00 0.00 O ATOM 2245 CB LYS A 145 -7.543 -16.380 5.195 1.00 0.00 C ATOM 2246 CG LYS A 145 -8.087 -15.641 6.406 1.00 0.00 C ATOM 2247 CD LYS A 145 -8.390 -16.594 7.550 1.00 0.00 C ATOM 2248 CE LYS A 145 -9.482 -16.046 8.457 1.00 0.00 C ATOM 2249 NZ LYS A 145 -10.823 -16.113 7.814 1.00 0.00 N ATOM 0 H LYS A 145 -8.554 -15.573 2.919 1.00 0.00 H new ATOM 0 HA LYS A 145 -6.385 -14.640 4.689 1.00 0.00 H new ATOM 0 HB2 LYS A 145 -8.358 -16.919 4.712 1.00 0.00 H new ATOM 0 HB3 LYS A 145 -6.821 -17.126 5.529 1.00 0.00 H new ATOM 0 HG2 LYS A 145 -7.363 -14.895 6.734 1.00 0.00 H new ATOM 0 HG3 LYS A 145 -8.994 -15.104 6.129 1.00 0.00 H new ATOM 0 HD2 LYS A 145 -8.699 -17.559 7.149 1.00 0.00 H new ATOM 0 HD3 LYS A 145 -7.484 -16.766 8.132 1.00 0.00 H new ATOM 0 HE2 LYS A 145 -9.498 -16.611 9.389 1.00 0.00 H new ATOM 0 HE3 LYS A 145 -9.254 -15.012 8.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 145 -11.561 -15.992 8.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 145 -10.906 -15.357 7.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 145 -10.940 -17.037 7.351 1.00 0.00 H new ATOM 2263 N LYS A 146 -4.591 -16.236 3.901 1.00 0.00 N ATOM 2264 CA LYS A 146 -3.490 -16.943 3.256 1.00 0.00 C ATOM 2265 C LYS A 146 -2.789 -17.873 4.241 1.00 0.00 C ATOM 2266 O LYS A 146 -2.512 -17.492 5.378 1.00 0.00 O ATOM 2267 CB LYS A 146 -2.486 -15.945 2.676 1.00 0.00 C ATOM 2268 CG LYS A 146 -1.409 -16.591 1.822 1.00 0.00 C ATOM 2269 CD LYS A 146 -1.943 -16.987 0.456 1.00 0.00 C ATOM 2270 CE LYS A 146 -2.066 -15.783 -0.465 1.00 0.00 C ATOM 2271 NZ LYS A 146 -0.808 -15.534 -1.223 1.00 0.00 N ATOM 0 H LYS A 146 -4.334 -15.751 4.761 1.00 0.00 H new ATOM 0 HA LYS A 146 -3.902 -17.545 2.446 1.00 0.00 H new ATOM 0 HB2 LYS A 146 -3.022 -15.211 2.075 1.00 0.00 H new ATOM 0 HB3 LYS A 146 -2.012 -15.402 3.494 1.00 0.00 H new ATOM 0 HG2 LYS A 146 -0.576 -15.899 1.701 1.00 0.00 H new ATOM 0 HG3 LYS A 146 -1.020 -17.473 2.331 1.00 0.00 H new ATOM 0 HD2 LYS A 146 -1.280 -17.725 0.005 1.00 0.00 H new ATOM 0 HD3 LYS A 146 -2.918 -17.461 0.569 1.00 0.00 H new ATOM 0 HE2 LYS A 146 -2.886 -15.943 -1.165 1.00 0.00 H new ATOM 0 HE3 LYS A 146 -2.317 -14.900 0.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 -0.932 -14.706 -1.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 -0.030 -15.356 -0.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 -0.582 -16.367 -1.804 1.00 0.00 H new ATOM 2285 N SER A 147 -2.503 -19.092 3.796 1.00 0.00 N ATOM 2286 CA SER A 147 -1.836 -20.077 4.639 1.00 0.00 C ATOM 2287 C SER A 147 -0.377 -19.694 4.871 1.00 0.00 C ATOM 2288 O SER A 147 0.186 -18.877 4.143 1.00 0.00 O ATOM 2289 CB SER A 147 -1.916 -21.465 4.001 1.00 0.00 C ATOM 2290 OG SER A 147 -1.894 -22.482 4.988 1.00 0.00 O ATOM 0 H SER A 147 -2.723 -19.421 2.856 1.00 0.00 H new ATOM 0 HA SER A 147 -2.346 -20.099 5.602 1.00 0.00 H new ATOM 0 HB2 SER A 147 -2.829 -21.546 3.412 1.00 0.00 H new ATOM 0 HB3 SER A 147 -1.080 -21.602 3.315 1.00 0.00 H new ATOM 0 HG SER A 147 -1.948 -23.359 4.555 1.00 0.00 H new ATOM 2296 N LYS A 148 0.230 -20.292 5.890 1.00 0.00 N ATOM 2297 CA LYS A 148 1.624 -20.017 6.219 1.00 0.00 C ATOM 2298 C LYS A 148 2.499 -21.236 5.944 1.00 0.00 C ATOM 2299 O LYS A 148 2.183 -22.346 6.370 1.00 0.00 O ATOM 2300 CB LYS A 148 1.751 -19.606 7.688 1.00 0.00 C ATOM 2301 CG LYS A 148 3.189 -19.473 8.160 1.00 0.00 C ATOM 2302 CD LYS A 148 3.744 -18.089 7.870 1.00 0.00 C ATOM 2303 CE LYS A 148 4.364 -18.017 6.482 1.00 0.00 C ATOM 2304 NZ LYS A 148 5.202 -16.798 6.312 1.00 0.00 N ATOM 0 H LYS A 148 -0.222 -20.971 6.503 1.00 0.00 H new ATOM 0 HA LYS A 148 1.965 -19.197 5.587 1.00 0.00 H new ATOM 0 HB2 LYS A 148 1.239 -18.655 7.836 1.00 0.00 H new ATOM 0 HB3 LYS A 148 1.240 -20.343 8.308 1.00 0.00 H new ATOM 0 HG2 LYS A 148 3.241 -19.670 9.231 1.00 0.00 H new ATOM 0 HG3 LYS A 148 3.806 -20.224 7.667 1.00 0.00 H new ATOM 0 HD2 LYS A 148 2.946 -17.351 7.952 1.00 0.00 H new ATOM 0 HD3 LYS A 148 4.494 -17.832 8.618 1.00 0.00 H new ATOM 0 HE2 LYS A 148 4.974 -18.904 6.310 1.00 0.00 H new ATOM 0 HE3 LYS A 148 3.574 -18.023 5.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 5.777 -16.890 5.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 4.588 -15.963 6.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 5.827 -16.689 7.136 1.00 0.00 H new ATOM 2318 N GLU A 149 3.599 -21.020 5.229 1.00 0.00 N ATOM 2319 CA GLU A 149 4.518 -22.102 4.899 1.00 0.00 C ATOM 2320 C GLU A 149 5.850 -21.925 5.622 1.00 0.00 C ATOM 2321 O GLU A 149 6.571 -20.955 5.389 1.00 0.00 O ATOM 2322 CB GLU A 149 4.751 -22.159 3.387 1.00 0.00 C ATOM 2323 CG GLU A 149 3.478 -22.366 2.583 1.00 0.00 C ATOM 2324 CD GLU A 149 2.569 -21.153 2.607 1.00 0.00 C ATOM 2325 OE1 GLU A 149 3.092 -20.021 2.681 1.00 0.00 O ATOM 2326 OE2 GLU A 149 1.335 -21.336 2.552 1.00 0.00 O ATOM 0 H GLU A 149 3.875 -20.107 4.868 1.00 0.00 H new ATOM 0 HA GLU A 149 4.068 -23.039 5.227 1.00 0.00 H new ATOM 0 HB2 GLU A 149 5.227 -21.233 3.066 1.00 0.00 H new ATOM 0 HB3 GLU A 149 5.447 -22.968 3.165 1.00 0.00 H new ATOM 0 HG2 GLU A 149 3.739 -22.600 1.551 1.00 0.00 H new ATOM 0 HG3 GLU A 149 2.939 -23.227 2.978 1.00 0.00 H new ATOM 2333 N SER A 150 6.169 -22.868 6.502 1.00 0.00 N ATOM 2334 CA SER A 150 7.411 -22.815 7.264 1.00 0.00 C ATOM 2335 C SER A 150 8.023 -24.205 7.403 1.00 0.00 C ATOM 2336 O SER A 150 7.320 -25.183 7.655 1.00 0.00 O ATOM 2337 CB SER A 150 7.159 -22.215 8.649 1.00 0.00 C ATOM 2338 OG SER A 150 6.941 -20.817 8.568 1.00 0.00 O ATOM 0 H SER A 150 5.584 -23.679 6.705 1.00 0.00 H new ATOM 0 HA SER A 150 8.113 -22.181 6.723 1.00 0.00 H new ATOM 0 HB2 SER A 150 6.293 -22.695 9.105 1.00 0.00 H new ATOM 0 HB3 SER A 150 8.012 -22.416 9.297 1.00 0.00 H new ATOM 0 HG SER A 150 6.781 -20.458 9.466 1.00 0.00 H new ATOM 2344 N GLY A 151 9.340 -24.285 7.237 1.00 0.00 N ATOM 2345 CA GLY A 151 10.026 -25.559 7.348 1.00 0.00 C ATOM 2346 C GLY A 151 11.523 -25.398 7.523 1.00 0.00 C ATOM 2347 O GLY A 151 12.057 -25.518 8.626 1.00 0.00 O ATOM 0 H GLY A 151 9.944 -23.490 7.028 1.00 0.00 H new ATOM 0 HA2 GLY A 151 9.622 -26.113 8.195 1.00 0.00 H new ATOM 0 HA3 GLY A 151 9.829 -26.153 6.455 1.00 0.00 H new ATOM 2351 N PRO A 152 12.226 -25.121 6.415 1.00 0.00 N ATOM 2352 CA PRO A 152 13.681 -24.939 6.425 1.00 0.00 C ATOM 2353 C PRO A 152 14.099 -23.653 7.130 1.00 0.00 C ATOM 2354 O PRO A 152 15.119 -23.614 7.817 1.00 0.00 O ATOM 2355 CB PRO A 152 14.041 -24.875 4.938 1.00 0.00 C ATOM 2356 CG PRO A 152 12.798 -24.400 4.268 1.00 0.00 C ATOM 2357 CD PRO A 152 11.655 -24.964 5.066 1.00 0.00 C ATOM 0 HA PRO A 152 14.188 -25.738 6.966 1.00 0.00 H new ATOM 0 HB2 PRO A 152 14.872 -24.192 4.761 1.00 0.00 H new ATOM 0 HB3 PRO A 152 14.345 -25.852 4.562 1.00 0.00 H new ATOM 0 HG2 PRO A 152 12.758 -23.311 4.246 1.00 0.00 H new ATOM 0 HG3 PRO A 152 12.758 -24.741 3.234 1.00 0.00 H new ATOM 0 HD2 PRO A 152 10.797 -24.292 5.069 1.00 0.00 H new ATOM 0 HD3 PRO A 152 11.313 -25.916 4.661 1.00 0.00 H new ATOM 2365 N SER A 153 13.304 -22.602 6.955 1.00 0.00 N ATOM 2366 CA SER A 153 13.594 -21.313 7.572 1.00 0.00 C ATOM 2367 C SER A 153 14.155 -21.498 8.978 1.00 0.00 C ATOM 2368 O SER A 153 13.436 -21.883 9.900 1.00 0.00 O ATOM 2369 CB SER A 153 12.330 -20.453 7.624 1.00 0.00 C ATOM 2370 OG SER A 153 11.750 -20.321 6.338 1.00 0.00 O ATOM 0 H SER A 153 12.454 -22.618 6.391 1.00 0.00 H new ATOM 0 HA SER A 153 14.344 -20.807 6.964 1.00 0.00 H new ATOM 0 HB2 SER A 153 11.609 -20.902 8.307 1.00 0.00 H new ATOM 0 HB3 SER A 153 12.573 -19.467 8.020 1.00 0.00 H new ATOM 0 HG SER A 153 10.943 -19.769 6.398 1.00 0.00 H new ATOM 2376 N SER A 154 15.446 -21.220 9.135 1.00 0.00 N ATOM 2377 CA SER A 154 16.106 -21.359 10.428 1.00 0.00 C ATOM 2378 C SER A 154 17.523 -20.796 10.377 1.00 0.00 C ATOM 2379 O SER A 154 18.197 -20.871 9.351 1.00 0.00 O ATOM 2380 CB SER A 154 16.144 -22.830 10.849 1.00 0.00 C ATOM 2381 OG SER A 154 16.840 -22.991 12.073 1.00 0.00 O ATOM 0 H SER A 154 16.055 -20.897 8.383 1.00 0.00 H new ATOM 0 HA SER A 154 15.535 -20.793 11.163 1.00 0.00 H new ATOM 0 HB2 SER A 154 15.127 -23.209 10.952 1.00 0.00 H new ATOM 0 HB3 SER A 154 16.627 -23.422 10.072 1.00 0.00 H new ATOM 0 HG SER A 154 16.849 -23.939 12.322 1.00 0.00 H new ATOM 2387 N GLY A 155 17.969 -20.231 11.495 1.00 0.00 N ATOM 2388 CA GLY A 155 19.303 -19.663 11.559 1.00 0.00 C ATOM 2389 C GLY A 155 20.204 -20.406 12.524 1.00 0.00 C ATOM 2390 O GLY A 155 19.937 -21.556 12.873 1.00 0.00 O ATOM 0 H GLY A 155 17.430 -20.157 12.358 1.00 0.00 H new ATOM 0 HA2 GLY A 155 19.749 -19.679 10.565 1.00 0.00 H new ATOM 0 HA3 GLY A 155 19.235 -18.618 11.861 1.00 0.00 H new TER 2394 GLY A 155