USER MOD reduce.3.24.130724 H: found=0, std=0, add=964, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 962 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 71 CYS SG : rot 130:sc= -1.35 USER MOD Set 1.2: A 116 SER OG : rot -14:sc= 0.185 USER MOD Set 2.1: A 45 HIS : no HD1:sc=-0.00173 X(o=-0.43,f=-0.26) USER MOD Set 2.2: A 69 ASN : amide:sc= -0.429 X(o=-0.43,f=-0.26) USER MOD Set 3.1: A 38 MET CE :methyl -123:sc= -1.13 (180deg=-5.77!) USER MOD Set 3.2: A 51 LYS NZ :NH3+ -135:sc= -0.133 (180deg=-0.555) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS :FLIP no HE2:sc= -1.76 F(o=-3,f=-1.8) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.118 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.266 K(o=-0.27,f=-0.84) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= -0.811 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -7.03! C(o=-7!,f=-10!) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0885 USER MOD Single : A 58 THR OG1 : rot 125:sc= 0.0859 USER MOD Single : A 60 SER OG : rot 90:sc= -0.997 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 165:sc= -0.0101 (180deg=-0.157) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -0.324 X(o=-0.32,f=-0.8) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot -56:sc= 0.504 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot 22:sc= -0.243 USER MOD Single : A 95 CYS SG : rot -26:sc= -1.61! USER MOD Single : A 98 GLN : amide:sc= -2.77! K(o=-2.8!,f=-3.6) USER MOD Single : A 105 MET CE :methyl 142:sc= -0.545 (180deg=-2.02!) USER MOD Single : A 110 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.539) USER MOD Single : A 111 THR OG1 : rot 82:sc= 1.31 USER MOD Single : A 113 GLN : amide:sc= -0.647 X(o=-0.65,f=-0.68) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= -0.0152 X(o=-0.015,f=0) USER MOD Single : A 119 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.325 -11.807 -4.803 1.00 0.00 N ATOM 2 CA GLY A 1 -20.530 -10.621 -5.065 1.00 0.00 C ATOM 3 C GLY A 1 -19.518 -10.834 -6.172 1.00 0.00 C ATOM 4 O GLY A 1 -18.355 -11.141 -5.909 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.002 -11.609 -4.038 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.844 -12.074 -5.664 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.700 -12.588 -4.519 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.191 -9.797 -5.335 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.010 -10.327 -4.153 1.00 0.00 H new ATOM 8 N SER A 2 -19.960 -10.672 -7.416 1.00 0.00 N ATOM 9 CA SER A 2 -19.085 -10.854 -8.568 1.00 0.00 C ATOM 10 C SER A 2 -18.459 -9.529 -8.989 1.00 0.00 C ATOM 11 O SER A 2 -19.062 -8.752 -9.730 1.00 0.00 O ATOM 12 CB SER A 2 -19.866 -11.457 -9.737 1.00 0.00 C ATOM 13 OG SER A 2 -18.989 -11.965 -10.728 1.00 0.00 O ATOM 0 H SER A 2 -20.919 -10.415 -7.651 1.00 0.00 H new ATOM 0 HA SER A 2 -18.286 -11.538 -8.282 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.511 -12.257 -9.373 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.515 -10.698 -10.175 1.00 0.00 H new ATOM 0 HG SER A 2 -19.512 -12.346 -11.464 1.00 0.00 H new ATOM 19 N SER A 3 -17.244 -9.277 -8.512 1.00 0.00 N ATOM 20 CA SER A 3 -16.536 -8.044 -8.835 1.00 0.00 C ATOM 21 C SER A 3 -15.941 -8.111 -10.238 1.00 0.00 C ATOM 22 O SER A 3 -16.217 -7.261 -11.083 1.00 0.00 O ATOM 23 CB SER A 3 -15.430 -7.783 -7.811 1.00 0.00 C ATOM 24 OG SER A 3 -15.974 -7.445 -6.547 1.00 0.00 O ATOM 0 H SER A 3 -16.729 -9.911 -7.900 1.00 0.00 H new ATOM 0 HA SER A 3 -17.252 -7.223 -8.802 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.803 -8.669 -7.715 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.789 -6.975 -8.162 1.00 0.00 H new ATOM 0 HG SER A 3 -15.247 -7.285 -5.910 1.00 0.00 H new ATOM 30 N GLY A 4 -15.121 -9.130 -10.478 1.00 0.00 N ATOM 31 CA GLY A 4 -14.498 -9.291 -11.779 1.00 0.00 C ATOM 32 C GLY A 4 -12.985 -9.277 -11.703 1.00 0.00 C ATOM 33 O GLY A 4 -12.340 -8.349 -12.192 1.00 0.00 O ATOM 0 H GLY A 4 -14.877 -9.847 -9.795 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.828 -10.231 -12.222 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.833 -8.492 -12.440 1.00 0.00 H new ATOM 37 N SER A 5 -12.415 -10.308 -11.088 1.00 0.00 N ATOM 38 CA SER A 5 -10.967 -10.409 -10.944 1.00 0.00 C ATOM 39 C SER A 5 -10.440 -11.667 -11.627 1.00 0.00 C ATOM 40 O SER A 5 -11.044 -12.736 -11.536 1.00 0.00 O ATOM 41 CB SER A 5 -10.579 -10.417 -9.465 1.00 0.00 C ATOM 42 OG SER A 5 -9.173 -10.485 -9.307 1.00 0.00 O ATOM 0 H SER A 5 -12.934 -11.086 -10.681 1.00 0.00 H new ATOM 0 HA SER A 5 -10.518 -9.540 -11.425 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.959 -9.517 -8.981 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.045 -11.268 -8.968 1.00 0.00 H new ATOM 0 HG SER A 5 -8.951 -10.487 -8.353 1.00 0.00 H new ATOM 48 N SER A 6 -9.309 -11.531 -12.312 1.00 0.00 N ATOM 49 CA SER A 6 -8.701 -12.655 -13.015 1.00 0.00 C ATOM 50 C SER A 6 -7.388 -13.063 -12.353 1.00 0.00 C ATOM 51 O SER A 6 -6.407 -13.366 -13.029 1.00 0.00 O ATOM 52 CB SER A 6 -8.455 -12.295 -14.481 1.00 0.00 C ATOM 53 OG SER A 6 -9.589 -12.594 -15.277 1.00 0.00 O ATOM 0 H SER A 6 -8.795 -10.654 -12.395 1.00 0.00 H new ATOM 0 HA SER A 6 -9.391 -13.498 -12.966 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.218 -11.234 -14.563 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.590 -12.844 -14.853 1.00 0.00 H new ATOM 0 HG SER A 6 -9.407 -12.353 -16.209 1.00 0.00 H new ATOM 59 N GLY A 7 -7.380 -13.068 -11.023 1.00 0.00 N ATOM 60 CA GLY A 7 -6.183 -13.440 -10.290 1.00 0.00 C ATOM 61 C GLY A 7 -6.472 -13.771 -8.839 1.00 0.00 C ATOM 62 O GLY A 7 -7.588 -13.572 -8.360 1.00 0.00 O ATOM 0 H GLY A 7 -8.180 -12.821 -10.441 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.719 -14.301 -10.771 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.463 -12.623 -10.337 1.00 0.00 H new ATOM 66 N ASP A 8 -5.464 -14.279 -8.139 1.00 0.00 N ATOM 67 CA ASP A 8 -5.614 -14.639 -6.734 1.00 0.00 C ATOM 68 C ASP A 8 -5.262 -13.461 -5.830 1.00 0.00 C ATOM 69 O ASP A 8 -4.880 -13.645 -4.675 1.00 0.00 O ATOM 70 CB ASP A 8 -4.729 -15.839 -6.395 1.00 0.00 C ATOM 71 CG ASP A 8 -5.306 -16.688 -5.280 1.00 0.00 C ATOM 72 OD1 ASP A 8 -6.540 -16.659 -5.090 1.00 0.00 O ATOM 73 OD2 ASP A 8 -4.524 -17.382 -4.597 1.00 0.00 O ATOM 0 H ASP A 8 -4.534 -14.451 -8.521 1.00 0.00 H new ATOM 0 HA ASP A 8 -6.657 -14.907 -6.563 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.599 -16.454 -7.286 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -3.740 -15.486 -6.104 1.00 0.00 H new ATOM 78 N ALA A 9 -5.394 -12.252 -6.365 1.00 0.00 N ATOM 79 CA ALA A 9 -5.091 -11.044 -5.607 1.00 0.00 C ATOM 80 C ALA A 9 -6.251 -10.056 -5.662 1.00 0.00 C ATOM 81 O ALA A 9 -6.650 -9.612 -6.738 1.00 0.00 O ATOM 82 CB ALA A 9 -3.818 -10.397 -6.132 1.00 0.00 C ATOM 0 H ALA A 9 -5.709 -12.083 -7.320 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.939 -11.327 -4.565 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.604 -9.496 -5.557 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.987 -11.096 -6.034 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.949 -10.135 -7.182 1.00 0.00 H new ATOM 88 N ALA A 10 -6.788 -9.716 -4.495 1.00 0.00 N ATOM 89 CA ALA A 10 -7.902 -8.779 -4.411 1.00 0.00 C ATOM 90 C ALA A 10 -7.720 -7.621 -5.386 1.00 0.00 C ATOM 91 O ALA A 10 -8.627 -7.290 -6.150 1.00 0.00 O ATOM 92 CB ALA A 10 -8.046 -8.256 -2.989 1.00 0.00 C ATOM 0 H ALA A 10 -6.470 -10.075 -3.595 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.813 -9.311 -4.685 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.881 -7.558 -2.941 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.231 -9.090 -2.312 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.129 -7.746 -2.694 1.00 0.00 H new ATOM 98 N LYS A 11 -6.542 -7.007 -5.355 1.00 0.00 N ATOM 99 CA LYS A 11 -6.240 -5.885 -6.237 1.00 0.00 C ATOM 100 C LYS A 11 -4.747 -5.823 -6.545 1.00 0.00 C ATOM 101 O LYS A 11 -3.928 -6.367 -5.805 1.00 0.00 O ATOM 102 CB LYS A 11 -6.695 -4.571 -5.598 1.00 0.00 C ATOM 103 CG LYS A 11 -6.716 -3.400 -6.565 1.00 0.00 C ATOM 104 CD LYS A 11 -7.736 -2.353 -6.151 1.00 0.00 C ATOM 105 CE LYS A 11 -7.504 -1.033 -6.871 1.00 0.00 C ATOM 106 NZ LYS A 11 -8.044 -1.056 -8.258 1.00 0.00 N ATOM 0 H LYS A 11 -5.780 -7.267 -4.728 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.780 -6.033 -7.172 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.693 -4.706 -5.182 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.032 -4.333 -4.766 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.726 -2.947 -6.610 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.948 -3.759 -7.568 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.740 -2.716 -6.369 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.681 -2.196 -5.074 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.976 -0.226 -6.311 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.436 -0.818 -6.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.866 -0.139 -8.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.576 -1.810 -8.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.068 -1.236 -8.229 1.00 0.00 H new ATOM 120 N GLU A 12 -4.402 -5.155 -7.642 1.00 0.00 N ATOM 121 CA GLU A 12 -3.007 -5.022 -8.046 1.00 0.00 C ATOM 122 C GLU A 12 -2.824 -3.833 -8.986 1.00 0.00 C ATOM 123 O GLU A 12 -3.764 -3.407 -9.656 1.00 0.00 O ATOM 124 CB GLU A 12 -2.526 -6.304 -8.729 1.00 0.00 C ATOM 125 CG GLU A 12 -3.172 -6.552 -10.082 1.00 0.00 C ATOM 126 CD GLU A 12 -2.972 -7.973 -10.572 1.00 0.00 C ATOM 127 OE1 GLU A 12 -2.904 -8.888 -9.725 1.00 0.00 O ATOM 128 OE2 GLU A 12 -2.884 -8.170 -11.802 1.00 0.00 O ATOM 0 H GLU A 12 -5.068 -4.699 -8.265 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.411 -4.851 -7.150 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.445 -6.254 -8.856 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.732 -7.153 -8.077 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.239 -6.342 -10.015 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.756 -5.858 -10.812 1.00 0.00 H new ATOM 135 N GLY A 13 -1.606 -3.301 -9.027 1.00 0.00 N ATOM 136 CA GLY A 13 -1.322 -2.166 -9.886 1.00 0.00 C ATOM 137 C GLY A 13 -0.141 -1.351 -9.397 1.00 0.00 C ATOM 138 O GLY A 13 0.228 -1.422 -8.225 1.00 0.00 O ATOM 0 H GLY A 13 -0.812 -3.635 -8.481 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.121 -2.520 -10.897 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.203 -1.527 -9.941 1.00 0.00 H new ATOM 142 N TRP A 14 0.454 -0.577 -10.297 1.00 0.00 N ATOM 143 CA TRP A 14 1.601 0.254 -9.951 1.00 0.00 C ATOM 144 C TRP A 14 1.196 1.372 -8.996 1.00 0.00 C ATOM 145 O TRP A 14 0.368 2.219 -9.332 1.00 0.00 O ATOM 146 CB TRP A 14 2.227 0.848 -11.214 1.00 0.00 C ATOM 147 CG TRP A 14 2.852 -0.181 -12.107 1.00 0.00 C ATOM 148 CD1 TRP A 14 2.230 -0.908 -13.081 1.00 0.00 C ATOM 149 CD2 TRP A 14 4.222 -0.597 -12.107 1.00 0.00 C ATOM 150 NE1 TRP A 14 3.130 -1.752 -13.686 1.00 0.00 N ATOM 151 CE2 TRP A 14 4.359 -1.579 -13.107 1.00 0.00 C ATOM 152 CE3 TRP A 14 5.347 -0.234 -11.361 1.00 0.00 C ATOM 153 CZ2 TRP A 14 5.575 -2.202 -13.377 1.00 0.00 C ATOM 154 CZ3 TRP A 14 6.552 -0.853 -11.629 1.00 0.00 C ATOM 155 CH2 TRP A 14 6.660 -1.827 -12.631 1.00 0.00 C ATOM 0 H TRP A 14 0.161 -0.507 -11.272 1.00 0.00 H new ATOM 0 HA TRP A 14 2.336 -0.377 -9.451 1.00 0.00 H new ATOM 0 HB2 TRP A 14 1.461 1.386 -11.772 1.00 0.00 H new ATOM 0 HB3 TRP A 14 2.984 1.578 -10.927 1.00 0.00 H new ATOM 0 HD1 TRP A 14 1.184 -0.831 -13.338 1.00 0.00 H new ATOM 0 HE1 TRP A 14 2.917 -2.402 -14.443 1.00 0.00 H new ATOM 0 HE3 TRP A 14 5.275 0.517 -10.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 5.659 -2.954 -14.147 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 7.427 -0.582 -11.056 1.00 0.00 H new ATOM 0 HH2 TRP A 14 7.617 -2.291 -12.818 1.00 0.00 H new ATOM 166 N LEU A 15 1.785 1.369 -7.805 1.00 0.00 N ATOM 167 CA LEU A 15 1.485 2.384 -6.801 1.00 0.00 C ATOM 168 C LEU A 15 2.757 2.851 -6.102 1.00 0.00 C ATOM 169 O LEU A 15 3.661 2.057 -5.839 1.00 0.00 O ATOM 170 CB LEU A 15 0.496 1.834 -5.771 1.00 0.00 C ATOM 171 CG LEU A 15 -0.901 1.497 -6.294 1.00 0.00 C ATOM 172 CD1 LEU A 15 -1.767 0.934 -5.179 1.00 0.00 C ATOM 173 CD2 LEU A 15 -1.551 2.729 -6.907 1.00 0.00 C ATOM 0 H LEU A 15 2.473 0.675 -7.511 1.00 0.00 H new ATOM 0 HA LEU A 15 1.036 3.239 -7.307 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.924 0.933 -5.331 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.395 2.564 -4.968 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.805 0.737 -7.069 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.757 0.700 -5.570 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.309 0.027 -4.785 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.857 1.671 -4.381 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.544 2.472 -7.274 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.635 3.510 -6.152 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.940 3.089 -7.735 1.00 0.00 H new ATOM 185 N HIS A 16 2.821 4.145 -5.803 1.00 0.00 N ATOM 186 CA HIS A 16 3.982 4.718 -5.131 1.00 0.00 C ATOM 187 C HIS A 16 3.913 4.478 -3.626 1.00 0.00 C ATOM 188 O HIS A 16 3.088 5.070 -2.930 1.00 0.00 O ATOM 189 CB HIS A 16 4.073 6.217 -5.416 1.00 0.00 C ATOM 190 CG HIS A 16 4.426 6.537 -6.837 1.00 0.00 C ATOM 191 ND1 HIS A 16 3.673 7.033 -7.846 1.00 0.00 N flip ATOM 192 CD2 HIS A 16 5.688 6.348 -7.359 1.00 0.00 C flip ATOM 193 CE1 HIS A 16 4.485 7.135 -8.948 1.00 0.00 C flip ATOM 194 NE2 HIS A 16 5.696 6.716 -8.628 1.00 0.00 N flip ATOM 0 H HIS A 16 2.083 4.816 -6.015 1.00 0.00 H new ATOM 0 HA HIS A 16 4.874 4.226 -5.518 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.118 6.683 -5.174 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.820 6.659 -4.756 1.00 0.00 H new ATOM 0 HD1 HIS A 16 2.686 7.284 -7.797 1.00 0.00 H new ATOM 0 HD2 HIS A 16 6.537 5.960 -6.816 1.00 0.00 H new ATOM 0 HE1 HIS A 16 4.183 7.499 -9.919 1.00 0.00 H new ATOM 203 N PHE A 17 4.783 3.604 -3.131 1.00 0.00 N ATOM 204 CA PHE A 17 4.820 3.284 -1.709 1.00 0.00 C ATOM 205 C PHE A 17 5.840 4.156 -0.981 1.00 0.00 C ATOM 206 O PHE A 17 7.047 3.997 -1.160 1.00 0.00 O ATOM 207 CB PHE A 17 5.158 1.806 -1.506 1.00 0.00 C ATOM 208 CG PHE A 17 5.685 1.495 -0.134 1.00 0.00 C ATOM 209 CD1 PHE A 17 4.817 1.255 0.918 1.00 0.00 C ATOM 210 CD2 PHE A 17 7.049 1.442 0.103 1.00 0.00 C ATOM 211 CE1 PHE A 17 5.298 0.968 2.182 1.00 0.00 C ATOM 212 CE2 PHE A 17 7.537 1.155 1.364 1.00 0.00 C ATOM 213 CZ PHE A 17 6.660 0.919 2.405 1.00 0.00 C ATOM 0 H PHE A 17 5.472 3.105 -3.694 1.00 0.00 H new ATOM 0 HA PHE A 17 3.833 3.485 -1.291 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.264 1.209 -1.687 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.898 1.505 -2.248 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.751 1.292 0.749 1.00 0.00 H new ATOM 0 HD2 PHE A 17 7.739 1.627 -0.707 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.610 0.782 2.993 1.00 0.00 H new ATOM 0 HE2 PHE A 17 8.603 1.115 1.535 1.00 0.00 H new ATOM 0 HZ PHE A 17 7.039 0.697 3.392 1.00 0.00 H new ATOM 223 N ARG A 18 5.344 5.076 -0.161 1.00 0.00 N ATOM 224 CA ARG A 18 6.211 5.974 0.593 1.00 0.00 C ATOM 225 C ARG A 18 6.035 5.767 2.094 1.00 0.00 C ATOM 226 O ARG A 18 5.113 6.296 2.715 1.00 0.00 O ATOM 227 CB ARG A 18 5.911 7.430 0.230 1.00 0.00 C ATOM 228 CG ARG A 18 6.788 8.433 0.963 1.00 0.00 C ATOM 229 CD ARG A 18 6.303 9.858 0.747 1.00 0.00 C ATOM 230 NE ARG A 18 6.909 10.791 1.693 1.00 0.00 N ATOM 231 CZ ARG A 18 8.123 11.309 1.540 1.00 0.00 C ATOM 232 NH1 ARG A 18 8.856 10.986 0.484 1.00 0.00 N ATOM 233 NH2 ARG A 18 8.604 12.151 2.445 1.00 0.00 N ATOM 0 H ARG A 18 4.347 5.219 -0.002 1.00 0.00 H new ATOM 0 HA ARG A 18 7.244 5.746 0.331 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.042 7.562 -0.844 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.865 7.643 0.453 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.790 8.206 2.029 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.817 8.341 0.615 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.537 10.170 -0.271 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.218 9.891 0.849 1.00 0.00 H new ATOM 0 HE ARG A 18 6.371 11.060 2.517 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.488 10.339 -0.213 1.00 0.00 H new ATOM 0 HH12 ARG A 18 9.788 11.385 0.369 1.00 0.00 H new ATOM 0 HH21 ARG A 18 8.042 12.401 3.259 1.00 0.00 H new ATOM 0 HH22 ARG A 18 9.536 12.548 2.327 1.00 0.00 H new ATOM 247 N PRO A 19 6.940 4.977 2.693 1.00 0.00 N ATOM 248 CA PRO A 19 6.906 4.681 4.128 1.00 0.00 C ATOM 249 C PRO A 19 7.259 5.897 4.979 1.00 0.00 C ATOM 250 O PRO A 19 8.136 6.684 4.621 1.00 0.00 O ATOM 251 CB PRO A 19 7.966 3.589 4.290 1.00 0.00 C ATOM 252 CG PRO A 19 8.904 3.799 3.152 1.00 0.00 C ATOM 253 CD PRO A 19 8.065 4.313 2.014 1.00 0.00 C ATOM 0 HA PRO A 19 5.912 4.381 4.459 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.480 3.675 5.247 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.519 2.595 4.256 1.00 0.00 H new ATOM 0 HG2 PRO A 19 9.684 4.513 3.416 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.403 2.869 2.880 1.00 0.00 H new ATOM 0 HD2 PRO A 19 8.622 5.008 1.386 1.00 0.00 H new ATOM 0 HD3 PRO A 19 7.724 3.504 1.369 1.00 0.00 H new ATOM 261 N LEU A 20 6.571 6.044 6.106 1.00 0.00 N ATOM 262 CA LEU A 20 6.813 7.164 7.008 1.00 0.00 C ATOM 263 C LEU A 20 7.849 6.797 8.066 1.00 0.00 C ATOM 264 O LEU A 20 8.864 7.477 8.218 1.00 0.00 O ATOM 265 CB LEU A 20 5.508 7.592 7.683 1.00 0.00 C ATOM 266 CG LEU A 20 4.576 8.468 6.846 1.00 0.00 C ATOM 267 CD1 LEU A 20 3.538 9.141 7.731 1.00 0.00 C ATOM 268 CD2 LEU A 20 5.373 9.507 6.071 1.00 0.00 C ATOM 0 H LEU A 20 5.842 5.402 6.417 1.00 0.00 H new ATOM 0 HA LEU A 20 7.200 7.996 6.419 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.963 6.695 7.978 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.755 8.130 8.598 1.00 0.00 H new ATOM 0 HG LEU A 20 4.056 7.831 6.131 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.884 9.760 7.118 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.946 8.381 8.240 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.040 9.765 8.470 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.693 10.121 5.481 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.921 10.140 6.769 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.077 9.005 5.407 1.00 0.00 H new ATOM 280 N VAL A 21 7.587 5.716 8.794 1.00 0.00 N ATOM 281 CA VAL A 21 8.498 5.256 9.835 1.00 0.00 C ATOM 282 C VAL A 21 8.763 3.760 9.712 1.00 0.00 C ATOM 283 O VAL A 21 7.875 2.988 9.347 1.00 0.00 O ATOM 284 CB VAL A 21 7.941 5.554 11.240 1.00 0.00 C ATOM 285 CG1 VAL A 21 8.428 6.908 11.732 1.00 0.00 C ATOM 286 CG2 VAL A 21 6.421 5.496 11.233 1.00 0.00 C ATOM 0 H VAL A 21 6.751 5.142 8.682 1.00 0.00 H new ATOM 0 HA VAL A 21 9.433 5.800 9.700 1.00 0.00 H new ATOM 0 HB VAL A 21 8.308 4.791 11.927 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.024 7.101 12.726 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.517 6.909 11.776 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.092 7.686 11.047 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.044 5.709 12.233 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.032 6.236 10.534 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.096 4.502 10.927 1.00 0.00 H new ATOM 296 N THR A 22 9.991 3.355 10.020 1.00 0.00 N ATOM 297 CA THR A 22 10.374 1.951 9.944 1.00 0.00 C ATOM 298 C THR A 22 11.163 1.528 11.178 1.00 0.00 C ATOM 299 O THR A 22 10.768 0.608 11.894 1.00 0.00 O ATOM 300 CB THR A 22 11.217 1.666 8.687 1.00 0.00 C ATOM 301 OG1 THR A 22 12.324 2.572 8.624 1.00 0.00 O ATOM 302 CG2 THR A 22 10.374 1.800 7.428 1.00 0.00 C ATOM 0 H THR A 22 10.737 3.980 10.325 1.00 0.00 H new ATOM 0 HA THR A 22 9.451 1.374 9.892 1.00 0.00 H new ATOM 0 HB THR A 22 11.588 0.643 8.750 1.00 0.00 H new ATOM 0 HG1 THR A 22 12.856 2.383 7.823 1.00 0.00 H new ATOM 0 HG21 THR A 22 10.991 1.594 6.553 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.549 1.089 7.465 1.00 0.00 H new ATOM 0 HG23 THR A 22 9.977 2.813 7.362 1.00 0.00 H new ATOM 310 N ASP A 23 12.279 2.206 11.421 1.00 0.00 N ATOM 311 CA ASP A 23 13.124 1.902 12.570 1.00 0.00 C ATOM 312 C ASP A 23 12.642 2.647 13.811 1.00 0.00 C ATOM 313 O ASP A 23 11.791 3.533 13.726 1.00 0.00 O ATOM 314 CB ASP A 23 14.578 2.269 12.273 1.00 0.00 C ATOM 315 CG ASP A 23 14.737 3.719 11.861 1.00 0.00 C ATOM 316 OD1 ASP A 23 13.774 4.286 11.305 1.00 0.00 O ATOM 317 OD2 ASP A 23 15.825 4.287 12.095 1.00 0.00 O ATOM 0 H ASP A 23 12.620 2.970 10.838 1.00 0.00 H new ATOM 0 HA ASP A 23 13.060 0.831 12.763 1.00 0.00 H new ATOM 0 HB2 ASP A 23 15.186 2.077 13.157 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.957 1.625 11.479 1.00 0.00 H new ATOM 322 N LYS A 24 13.190 2.281 14.965 1.00 0.00 N ATOM 323 CA LYS A 24 12.817 2.914 16.224 1.00 0.00 C ATOM 324 C LYS A 24 14.013 3.622 16.853 1.00 0.00 C ATOM 325 O LYS A 24 14.630 3.110 17.786 1.00 0.00 O ATOM 326 CB LYS A 24 12.259 1.872 17.197 1.00 0.00 C ATOM 327 CG LYS A 24 11.479 2.474 18.352 1.00 0.00 C ATOM 328 CD LYS A 24 10.553 1.453 18.992 1.00 0.00 C ATOM 329 CE LYS A 24 9.758 2.062 20.137 1.00 0.00 C ATOM 330 NZ LYS A 24 8.491 2.685 19.664 1.00 0.00 N ATOM 0 H LYS A 24 13.894 1.549 15.054 1.00 0.00 H new ATOM 0 HA LYS A 24 12.047 3.656 16.014 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.611 1.187 16.650 1.00 0.00 H new ATOM 0 HB3 LYS A 24 13.084 1.281 17.595 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.173 2.857 19.100 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.895 3.322 17.995 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.868 1.060 18.241 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.138 0.611 19.361 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.531 1.290 20.872 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.366 2.813 20.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.979 3.088 20.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.709 3.439 18.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.899 1.963 19.205 1.00 0.00 H new ATOM 344 N GLY A 25 14.335 4.804 16.335 1.00 0.00 N ATOM 345 CA GLY A 25 15.455 5.563 16.859 1.00 0.00 C ATOM 346 C GLY A 25 16.792 5.011 16.407 1.00 0.00 C ATOM 347 O GLY A 25 17.618 4.611 17.228 1.00 0.00 O ATOM 0 H GLY A 25 13.840 5.249 15.562 1.00 0.00 H new ATOM 0 HA2 GLY A 25 15.367 6.601 16.539 1.00 0.00 H new ATOM 0 HA3 GLY A 25 15.414 5.560 17.948 1.00 0.00 H new ATOM 351 N LYS A 26 17.007 4.985 15.096 1.00 0.00 N ATOM 352 CA LYS A 26 18.253 4.477 14.534 1.00 0.00 C ATOM 353 C LYS A 26 18.632 5.242 13.270 1.00 0.00 C ATOM 354 O LYS A 26 17.763 5.687 12.519 1.00 0.00 O ATOM 355 CB LYS A 26 18.124 2.985 14.220 1.00 0.00 C ATOM 356 CG LYS A 26 19.432 2.223 14.343 1.00 0.00 C ATOM 357 CD LYS A 26 19.201 0.785 14.778 1.00 0.00 C ATOM 358 CE LYS A 26 19.144 0.664 16.293 1.00 0.00 C ATOM 359 NZ LYS A 26 20.502 0.528 16.890 1.00 0.00 N ATOM 0 H LYS A 26 16.334 5.310 14.402 1.00 0.00 H new ATOM 0 HA LYS A 26 19.041 4.620 15.274 1.00 0.00 H new ATOM 0 HB2 LYS A 26 17.390 2.542 14.894 1.00 0.00 H new ATOM 0 HB3 LYS A 26 17.738 2.867 13.207 1.00 0.00 H new ATOM 0 HG2 LYS A 26 19.953 2.235 13.385 1.00 0.00 H new ATOM 0 HG3 LYS A 26 20.079 2.723 15.064 1.00 0.00 H new ATOM 0 HD2 LYS A 26 18.269 0.419 14.347 1.00 0.00 H new ATOM 0 HD3 LYS A 26 20.001 0.154 14.391 1.00 0.00 H new ATOM 0 HE2 LYS A 26 18.651 1.542 16.709 1.00 0.00 H new ATOM 0 HE3 LYS A 26 18.539 -0.201 16.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 20.420 0.448 17.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 20.964 -0.324 16.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 21.072 1.365 16.651 1.00 0.00 H new ATOM 373 N ARG A 27 19.932 5.391 13.040 1.00 0.00 N ATOM 374 CA ARG A 27 20.425 6.102 11.867 1.00 0.00 C ATOM 375 C ARG A 27 20.803 5.124 10.758 1.00 0.00 C ATOM 376 O ARG A 27 21.851 5.260 10.126 1.00 0.00 O ATOM 377 CB ARG A 27 21.634 6.963 12.236 1.00 0.00 C ATOM 378 CG ARG A 27 22.016 7.969 11.163 1.00 0.00 C ATOM 379 CD ARG A 27 23.402 8.545 11.407 1.00 0.00 C ATOM 380 NE ARG A 27 23.635 9.758 10.628 1.00 0.00 N ATOM 381 CZ ARG A 27 24.524 10.687 10.964 1.00 0.00 C ATOM 382 NH1 ARG A 27 25.259 10.541 12.057 1.00 0.00 N ATOM 383 NH2 ARG A 27 24.679 11.764 10.204 1.00 0.00 N ATOM 0 H ARG A 27 20.664 5.028 13.651 1.00 0.00 H new ATOM 0 HA ARG A 27 19.626 6.748 11.502 1.00 0.00 H new ATOM 0 HB2 ARG A 27 21.420 7.496 13.162 1.00 0.00 H new ATOM 0 HB3 ARG A 27 22.486 6.312 12.432 1.00 0.00 H new ATOM 0 HG2 ARG A 27 21.988 7.488 10.185 1.00 0.00 H new ATOM 0 HG3 ARG A 27 21.284 8.776 11.142 1.00 0.00 H new ATOM 0 HD2 ARG A 27 23.521 8.767 12.468 1.00 0.00 H new ATOM 0 HD3 ARG A 27 24.155 7.799 11.151 1.00 0.00 H new ATOM 0 HE ARG A 27 23.086 9.900 9.780 1.00 0.00 H new ATOM 0 HH11 ARG A 27 25.143 9.714 12.643 1.00 0.00 H new ATOM 0 HH12 ARG A 27 25.941 11.256 12.312 1.00 0.00 H new ATOM 0 HH21 ARG A 27 24.116 11.879 9.362 1.00 0.00 H new ATOM 0 HH22 ARG A 27 25.361 12.477 10.462 1.00 0.00 H new ATOM 397 N VAL A 28 19.943 4.137 10.527 1.00 0.00 N ATOM 398 CA VAL A 28 20.186 3.137 9.495 1.00 0.00 C ATOM 399 C VAL A 28 19.122 3.203 8.404 1.00 0.00 C ATOM 400 O VAL A 28 19.417 3.021 7.224 1.00 0.00 O ATOM 401 CB VAL A 28 20.211 1.715 10.086 1.00 0.00 C ATOM 402 CG1 VAL A 28 18.882 1.388 10.750 1.00 0.00 C ATOM 403 CG2 VAL A 28 20.542 0.695 9.006 1.00 0.00 C ATOM 0 H VAL A 28 19.071 4.009 11.041 1.00 0.00 H new ATOM 0 HA VAL A 28 21.161 3.360 9.062 1.00 0.00 H new ATOM 0 HB VAL A 28 20.990 1.671 10.847 1.00 0.00 H new ATOM 0 HG11 VAL A 28 18.919 0.379 11.161 1.00 0.00 H new ATOM 0 HG12 VAL A 28 18.691 2.100 11.553 1.00 0.00 H new ATOM 0 HG13 VAL A 28 18.082 1.450 10.012 1.00 0.00 H new ATOM 0 HG21 VAL A 28 20.555 -0.304 9.441 1.00 0.00 H new ATOM 0 HG22 VAL A 28 19.787 0.739 8.221 1.00 0.00 H new ATOM 0 HG23 VAL A 28 21.521 0.919 8.582 1.00 0.00 H new ATOM 413 N GLY A 29 17.883 3.466 8.809 1.00 0.00 N ATOM 414 CA GLY A 29 16.794 3.552 7.854 1.00 0.00 C ATOM 415 C GLY A 29 16.971 4.695 6.873 1.00 0.00 C ATOM 416 O GLY A 29 17.770 5.601 7.104 1.00 0.00 O ATOM 0 H GLY A 29 17.614 3.621 9.781 1.00 0.00 H new ATOM 0 HA2 GLY A 29 16.722 2.614 7.304 1.00 0.00 H new ATOM 0 HA3 GLY A 29 15.854 3.680 8.390 1.00 0.00 H new ATOM 420 N GLY A 30 16.225 4.650 5.774 1.00 0.00 N ATOM 421 CA GLY A 30 16.320 5.695 4.770 1.00 0.00 C ATOM 422 C GLY A 30 16.200 7.083 5.366 1.00 0.00 C ATOM 423 O GLY A 30 15.648 7.254 6.453 1.00 0.00 O ATOM 0 H GLY A 30 15.557 3.910 5.560 1.00 0.00 H new ATOM 0 HA2 GLY A 30 17.273 5.608 4.248 1.00 0.00 H new ATOM 0 HA3 GLY A 30 15.536 5.553 4.027 1.00 0.00 H new ATOM 427 N SER A 31 16.718 8.078 4.653 1.00 0.00 N ATOM 428 CA SER A 31 16.671 9.459 5.120 1.00 0.00 C ATOM 429 C SER A 31 15.638 10.262 4.336 1.00 0.00 C ATOM 430 O SER A 31 15.929 10.788 3.261 1.00 0.00 O ATOM 431 CB SER A 31 18.048 10.111 4.988 1.00 0.00 C ATOM 432 OG SER A 31 19.028 9.386 5.710 1.00 0.00 O ATOM 0 H SER A 31 17.175 7.954 3.750 1.00 0.00 H new ATOM 0 HA SER A 31 16.380 9.452 6.170 1.00 0.00 H new ATOM 0 HB2 SER A 31 18.330 10.162 3.936 1.00 0.00 H new ATOM 0 HB3 SER A 31 18.005 11.136 5.356 1.00 0.00 H new ATOM 0 HG SER A 31 19.899 9.823 5.608 1.00 0.00 H new ATOM 438 N ILE A 32 14.430 10.353 4.882 1.00 0.00 N ATOM 439 CA ILE A 32 13.353 11.093 4.236 1.00 0.00 C ATOM 440 C ILE A 32 13.366 10.875 2.726 1.00 0.00 C ATOM 441 O ILE A 32 13.189 11.816 1.952 1.00 0.00 O ATOM 442 CB ILE A 32 13.453 12.602 4.526 1.00 0.00 C ATOM 443 CG1 ILE A 32 13.581 12.846 6.031 1.00 0.00 C ATOM 444 CG2 ILE A 32 12.241 13.331 3.966 1.00 0.00 C ATOM 445 CD1 ILE A 32 14.373 14.087 6.377 1.00 0.00 C ATOM 0 H ILE A 32 14.173 9.923 5.771 1.00 0.00 H new ATOM 0 HA ILE A 32 12.418 10.714 4.648 1.00 0.00 H new ATOM 0 HB ILE A 32 14.345 12.993 4.036 1.00 0.00 H new ATOM 0 HG12 ILE A 32 12.584 12.929 6.463 1.00 0.00 H new ATOM 0 HG13 ILE A 32 14.057 11.981 6.492 1.00 0.00 H new ATOM 0 HG21 ILE A 32 12.327 14.397 4.179 1.00 0.00 H new ATOM 0 HG22 ILE A 32 12.191 13.180 2.888 1.00 0.00 H new ATOM 0 HG23 ILE A 32 11.335 12.940 4.429 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.423 14.197 7.460 1.00 0.00 H new ATOM 0 HD12 ILE A 32 15.382 13.999 5.975 1.00 0.00 H new ATOM 0 HD13 ILE A 32 13.886 14.962 5.946 1.00 0.00 H new ATOM 457 N ARG A 33 13.574 9.629 2.316 1.00 0.00 N ATOM 458 CA ARG A 33 13.609 9.287 0.899 1.00 0.00 C ATOM 459 C ARG A 33 12.269 9.588 0.234 1.00 0.00 C ATOM 460 O ARG A 33 11.210 9.522 0.858 1.00 0.00 O ATOM 461 CB ARG A 33 13.960 7.809 0.717 1.00 0.00 C ATOM 462 CG ARG A 33 15.300 7.423 1.321 1.00 0.00 C ATOM 463 CD ARG A 33 15.870 6.177 0.661 1.00 0.00 C ATOM 464 NE ARG A 33 16.683 6.500 -0.508 1.00 0.00 N ATOM 465 CZ ARG A 33 16.905 5.652 -1.506 1.00 0.00 C ATOM 466 NH1 ARG A 33 16.377 4.436 -1.477 1.00 0.00 N ATOM 467 NH2 ARG A 33 17.656 6.019 -2.536 1.00 0.00 N ATOM 0 H ARG A 33 13.721 8.839 2.944 1.00 0.00 H new ATOM 0 HA ARG A 33 14.377 9.897 0.423 1.00 0.00 H new ATOM 0 HB2 ARG A 33 13.178 7.200 1.170 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.970 7.575 -0.348 1.00 0.00 H new ATOM 0 HG2 ARG A 33 16.002 8.249 1.209 1.00 0.00 H new ATOM 0 HG3 ARG A 33 15.182 7.248 2.390 1.00 0.00 H new ATOM 0 HD2 ARG A 33 16.475 5.629 1.383 1.00 0.00 H new ATOM 0 HD3 ARG A 33 15.054 5.518 0.364 1.00 0.00 H new ATOM 0 HE ARG A 33 17.104 7.428 -0.561 1.00 0.00 H new ATOM 0 HH11 ARG A 33 15.799 4.150 -0.687 1.00 0.00 H new ATOM 0 HH12 ARG A 33 16.549 3.787 -2.245 1.00 0.00 H new ATOM 0 HH21 ARG A 33 18.064 6.954 -2.562 1.00 0.00 H new ATOM 0 HH22 ARG A 33 17.826 5.367 -3.302 1.00 0.00 H new ATOM 481 N PRO A 34 12.315 9.928 -1.063 1.00 0.00 N ATOM 482 CA PRO A 34 11.114 10.247 -1.841 1.00 0.00 C ATOM 483 C PRO A 34 10.244 9.020 -2.092 1.00 0.00 C ATOM 484 O PRO A 34 10.638 7.894 -1.785 1.00 0.00 O ATOM 485 CB PRO A 34 11.677 10.782 -3.160 1.00 0.00 C ATOM 486 CG PRO A 34 13.026 10.161 -3.276 1.00 0.00 C ATOM 487 CD PRO A 34 13.543 10.028 -1.870 1.00 0.00 C ATOM 0 HA PRO A 34 10.467 10.953 -1.321 1.00 0.00 H new ATOM 0 HB2 PRO A 34 11.041 10.508 -4.002 1.00 0.00 H new ATOM 0 HB3 PRO A 34 11.742 11.870 -3.150 1.00 0.00 H new ATOM 0 HG2 PRO A 34 12.967 9.188 -3.764 1.00 0.00 H new ATOM 0 HG3 PRO A 34 13.690 10.780 -3.879 1.00 0.00 H new ATOM 0 HD2 PRO A 34 14.172 9.145 -1.755 1.00 0.00 H new ATOM 0 HD3 PRO A 34 14.145 10.889 -1.580 1.00 0.00 H new ATOM 495 N TRP A 35 9.061 9.244 -2.652 1.00 0.00 N ATOM 496 CA TRP A 35 8.136 8.155 -2.945 1.00 0.00 C ATOM 497 C TRP A 35 8.839 7.030 -3.697 1.00 0.00 C ATOM 498 O TRP A 35 9.723 7.276 -4.518 1.00 0.00 O ATOM 499 CB TRP A 35 6.952 8.671 -3.766 1.00 0.00 C ATOM 500 CG TRP A 35 6.126 9.690 -3.041 1.00 0.00 C ATOM 501 CD1 TRP A 35 6.448 10.998 -2.819 1.00 0.00 C ATOM 502 CD2 TRP A 35 4.843 9.483 -2.442 1.00 0.00 C ATOM 503 NE1 TRP A 35 5.442 11.618 -2.118 1.00 0.00 N ATOM 504 CE2 TRP A 35 4.445 10.710 -1.875 1.00 0.00 C ATOM 505 CE3 TRP A 35 3.989 8.382 -2.330 1.00 0.00 C ATOM 506 CZ2 TRP A 35 3.233 10.863 -1.207 1.00 0.00 C ATOM 507 CZ3 TRP A 35 2.787 8.536 -1.667 1.00 0.00 C ATOM 508 CH2 TRP A 35 2.418 9.769 -1.113 1.00 0.00 C ATOM 0 H TRP A 35 8.720 10.169 -2.912 1.00 0.00 H new ATOM 0 HA TRP A 35 7.769 7.760 -1.998 1.00 0.00 H new ATOM 0 HB2 TRP A 35 7.324 9.108 -4.692 1.00 0.00 H new ATOM 0 HB3 TRP A 35 6.317 7.830 -4.043 1.00 0.00 H new ATOM 0 HD1 TRP A 35 7.360 11.475 -3.146 1.00 0.00 H new ATOM 0 HE1 TRP A 35 5.438 12.595 -1.826 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.264 7.428 -2.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 2.947 11.812 -0.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.120 7.692 -1.574 1.00 0.00 H new ATOM 0 HH2 TRP A 35 1.471 9.857 -0.601 1.00 0.00 H new ATOM 519 N LYS A 36 8.442 5.795 -3.411 1.00 0.00 N ATOM 520 CA LYS A 36 9.033 4.631 -4.061 1.00 0.00 C ATOM 521 C LYS A 36 8.020 3.942 -4.970 1.00 0.00 C ATOM 522 O LYS A 36 7.023 3.396 -4.500 1.00 0.00 O ATOM 523 CB LYS A 36 9.548 3.642 -3.012 1.00 0.00 C ATOM 524 CG LYS A 36 10.479 4.270 -1.990 1.00 0.00 C ATOM 525 CD LYS A 36 11.923 4.248 -2.463 1.00 0.00 C ATOM 526 CE LYS A 36 12.278 5.513 -3.229 1.00 0.00 C ATOM 527 NZ LYS A 36 13.729 5.572 -3.560 1.00 0.00 N ATOM 0 H LYS A 36 7.713 5.574 -2.733 1.00 0.00 H new ATOM 0 HA LYS A 36 9.869 4.973 -4.671 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.697 3.200 -2.493 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.071 2.830 -3.517 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.173 5.299 -1.801 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.397 3.734 -1.044 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.587 4.143 -1.605 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.085 3.378 -3.100 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.694 5.557 -4.148 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.005 6.386 -2.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.931 6.449 -4.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 14.286 5.556 -2.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 13.985 4.753 -4.148 1.00 0.00 H new ATOM 541 N GLN A 37 8.284 3.973 -6.273 1.00 0.00 N ATOM 542 CA GLN A 37 7.395 3.350 -7.246 1.00 0.00 C ATOM 543 C GLN A 37 7.690 1.860 -7.378 1.00 0.00 C ATOM 544 O GLN A 37 8.690 1.466 -7.977 1.00 0.00 O ATOM 545 CB GLN A 37 7.538 4.033 -8.608 1.00 0.00 C ATOM 546 CG GLN A 37 6.397 3.727 -9.564 1.00 0.00 C ATOM 547 CD GLN A 37 6.412 4.614 -10.793 1.00 0.00 C ATOM 548 OE1 GLN A 37 7.422 5.246 -11.105 1.00 0.00 O ATOM 549 NE2 GLN A 37 5.288 4.667 -11.500 1.00 0.00 N ATOM 0 H GLN A 37 9.105 4.422 -6.678 1.00 0.00 H new ATOM 0 HA GLN A 37 6.371 3.468 -6.893 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.598 5.111 -8.460 1.00 0.00 H new ATOM 0 HB3 GLN A 37 8.477 3.721 -9.065 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.457 2.683 -9.873 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.448 3.851 -9.043 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.474 4.127 -11.206 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.239 5.248 -12.337 1.00 0.00 H new ATOM 558 N MET A 38 6.813 1.036 -6.813 1.00 0.00 N ATOM 559 CA MET A 38 6.980 -0.412 -6.869 1.00 0.00 C ATOM 560 C MET A 38 5.626 -1.113 -6.924 1.00 0.00 C ATOM 561 O MET A 38 4.768 -0.896 -6.068 1.00 0.00 O ATOM 562 CB MET A 38 7.772 -0.902 -5.655 1.00 0.00 C ATOM 563 CG MET A 38 7.227 -0.397 -4.329 1.00 0.00 C ATOM 564 SD MET A 38 8.402 -0.595 -2.975 1.00 0.00 S ATOM 565 CE MET A 38 8.731 -2.353 -3.066 1.00 0.00 C ATOM 0 H MET A 38 5.980 1.346 -6.312 1.00 0.00 H new ATOM 0 HA MET A 38 7.532 -0.655 -7.777 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.771 -1.992 -5.647 1.00 0.00 H new ATOM 0 HB3 MET A 38 8.810 -0.584 -5.756 1.00 0.00 H new ATOM 0 HG2 MET A 38 6.964 0.656 -4.426 1.00 0.00 H new ATOM 0 HG3 MET A 38 6.309 -0.934 -4.090 1.00 0.00 H new ATOM 0 HE1 MET A 38 8.498 -2.817 -2.108 1.00 0.00 H new ATOM 0 HE2 MET A 38 8.113 -2.799 -3.845 1.00 0.00 H new ATOM 0 HE3 MET A 38 9.783 -2.515 -3.301 1.00 0.00 H new ATOM 575 N TYR A 39 5.442 -1.954 -7.935 1.00 0.00 N ATOM 576 CA TYR A 39 4.191 -2.685 -8.103 1.00 0.00 C ATOM 577 C TYR A 39 3.667 -3.184 -6.760 1.00 0.00 C ATOM 578 O TYR A 39 4.292 -4.022 -6.110 1.00 0.00 O ATOM 579 CB TYR A 39 4.389 -3.864 -9.057 1.00 0.00 C ATOM 580 CG TYR A 39 3.121 -4.299 -9.755 1.00 0.00 C ATOM 581 CD1 TYR A 39 2.279 -5.245 -9.183 1.00 0.00 C ATOM 582 CD2 TYR A 39 2.763 -3.764 -10.986 1.00 0.00 C ATOM 583 CE1 TYR A 39 1.119 -5.646 -9.817 1.00 0.00 C ATOM 584 CE2 TYR A 39 1.605 -4.157 -11.627 1.00 0.00 C ATOM 585 CZ TYR A 39 0.786 -5.099 -11.039 1.00 0.00 C ATOM 586 OH TYR A 39 -0.369 -5.494 -11.674 1.00 0.00 O ATOM 0 H TYR A 39 6.143 -2.147 -8.651 1.00 0.00 H new ATOM 0 HA TYR A 39 3.455 -2.003 -8.528 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.132 -3.592 -9.807 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.794 -4.708 -8.499 1.00 0.00 H new ATOM 0 HD1 TYR A 39 2.536 -5.674 -8.226 1.00 0.00 H new ATOM 0 HD2 TYR A 39 3.402 -3.027 -11.450 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.477 -6.383 -9.359 1.00 0.00 H new ATOM 0 HE2 TYR A 39 1.342 -3.730 -12.583 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.456 -5.013 -12.523 1.00 0.00 H new ATOM 596 N VAL A 40 2.515 -2.663 -6.351 1.00 0.00 N ATOM 597 CA VAL A 40 1.904 -3.057 -5.087 1.00 0.00 C ATOM 598 C VAL A 40 0.740 -4.014 -5.313 1.00 0.00 C ATOM 599 O VAL A 40 -0.220 -3.687 -6.011 1.00 0.00 O ATOM 600 CB VAL A 40 1.402 -1.831 -4.301 1.00 0.00 C ATOM 601 CG1 VAL A 40 0.756 -2.263 -2.993 1.00 0.00 C ATOM 602 CG2 VAL A 40 2.542 -0.857 -4.046 1.00 0.00 C ATOM 0 H VAL A 40 1.986 -1.967 -6.876 1.00 0.00 H new ATOM 0 HA VAL A 40 2.676 -3.561 -4.506 1.00 0.00 H new ATOM 0 HB VAL A 40 0.648 -1.322 -4.900 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.407 -1.384 -2.451 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.089 -2.918 -3.204 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.486 -2.797 -2.385 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.168 0.003 -3.490 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.322 -1.353 -3.468 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.954 -0.522 -4.998 1.00 0.00 H new ATOM 612 N VAL A 41 0.831 -5.199 -4.718 1.00 0.00 N ATOM 613 CA VAL A 41 -0.216 -6.205 -4.853 1.00 0.00 C ATOM 614 C VAL A 41 -0.877 -6.494 -3.509 1.00 0.00 C ATOM 615 O VAL A 41 -0.206 -6.569 -2.479 1.00 0.00 O ATOM 616 CB VAL A 41 0.340 -7.519 -5.432 1.00 0.00 C ATOM 617 CG1 VAL A 41 -0.774 -8.542 -5.600 1.00 0.00 C ATOM 618 CG2 VAL A 41 1.042 -7.262 -6.757 1.00 0.00 C ATOM 0 H VAL A 41 1.619 -5.486 -4.138 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.958 -5.799 -5.540 1.00 0.00 H new ATOM 0 HB VAL A 41 1.071 -7.924 -4.732 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.362 -9.464 -6.010 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.229 -8.747 -4.631 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.530 -8.148 -6.279 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.429 -8.201 -7.152 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.334 -6.834 -7.467 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.867 -6.566 -6.603 1.00 0.00 H new ATOM 628 N LEU A 42 -2.195 -6.656 -3.527 1.00 0.00 N ATOM 629 CA LEU A 42 -2.948 -6.938 -2.310 1.00 0.00 C ATOM 630 C LEU A 42 -3.478 -8.369 -2.317 1.00 0.00 C ATOM 631 O LEU A 42 -4.299 -8.733 -3.158 1.00 0.00 O ATOM 632 CB LEU A 42 -4.109 -5.953 -2.166 1.00 0.00 C ATOM 633 CG LEU A 42 -5.099 -6.243 -1.037 1.00 0.00 C ATOM 634 CD1 LEU A 42 -4.445 -6.017 0.318 1.00 0.00 C ATOM 635 CD2 LEU A 42 -6.342 -5.377 -1.182 1.00 0.00 C ATOM 0 H LEU A 42 -2.765 -6.597 -4.371 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.275 -6.824 -1.460 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.696 -4.956 -2.013 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.658 -5.930 -3.107 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.399 -7.289 -1.103 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.165 -6.228 1.109 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.586 -6.680 0.422 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.115 -4.981 0.395 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.035 -5.597 -0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.059 -4.325 -1.143 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.823 -5.588 -2.137 1.00 0.00 H new ATOM 647 N ARG A 43 -3.004 -9.174 -1.372 1.00 0.00 N ATOM 648 CA ARG A 43 -3.430 -10.564 -1.268 1.00 0.00 C ATOM 649 C ARG A 43 -3.848 -10.900 0.161 1.00 0.00 C ATOM 650 O ARG A 43 -3.024 -10.903 1.074 1.00 0.00 O ATOM 651 CB ARG A 43 -2.306 -11.500 -1.715 1.00 0.00 C ATOM 652 CG ARG A 43 -2.033 -11.453 -3.210 1.00 0.00 C ATOM 653 CD ARG A 43 -1.172 -12.625 -3.656 1.00 0.00 C ATOM 654 NE ARG A 43 -1.933 -13.870 -3.721 1.00 0.00 N ATOM 655 CZ ARG A 43 -1.414 -15.028 -4.115 1.00 0.00 C ATOM 656 NH1 ARG A 43 -0.141 -15.099 -4.476 1.00 0.00 N ATOM 657 NH2 ARG A 43 -2.171 -16.117 -4.147 1.00 0.00 N ATOM 0 H ARG A 43 -2.325 -8.887 -0.667 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.291 -10.703 -1.922 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.393 -11.240 -1.179 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.561 -12.521 -1.433 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.977 -11.466 -3.754 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.534 -10.517 -3.461 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.746 -12.409 -4.636 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.338 -12.746 -2.965 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.916 -13.849 -3.449 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.443 -14.263 -4.452 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.255 -15.989 -4.778 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.151 -16.065 -3.869 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.773 -17.006 -4.449 1.00 0.00 H new ATOM 671 N GLY A 44 -5.134 -11.182 0.346 1.00 0.00 N ATOM 672 CA GLY A 44 -5.638 -11.514 1.665 1.00 0.00 C ATOM 673 C GLY A 44 -5.651 -10.320 2.599 1.00 0.00 C ATOM 674 O GLY A 44 -6.380 -9.353 2.372 1.00 0.00 O ATOM 0 H GLY A 44 -5.836 -11.186 -0.394 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.649 -11.912 1.575 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.023 -12.303 2.098 1.00 0.00 H new ATOM 678 N HIS A 45 -4.844 -10.385 3.652 1.00 0.00 N ATOM 679 CA HIS A 45 -4.766 -9.301 4.625 1.00 0.00 C ATOM 680 C HIS A 45 -3.360 -8.710 4.669 1.00 0.00 C ATOM 681 O HIS A 45 -3.016 -7.968 5.589 1.00 0.00 O ATOM 682 CB HIS A 45 -5.165 -9.802 6.013 1.00 0.00 C ATOM 683 CG HIS A 45 -6.341 -10.729 5.999 1.00 0.00 C ATOM 684 ND1 HIS A 45 -6.218 -12.102 6.058 1.00 0.00 N ATOM 685 CD2 HIS A 45 -7.669 -10.474 5.935 1.00 0.00 C ATOM 686 CE1 HIS A 45 -7.420 -12.650 6.029 1.00 0.00 C ATOM 687 NE2 HIS A 45 -8.317 -11.684 5.955 1.00 0.00 N ATOM 0 H HIS A 45 -4.234 -11.177 3.854 1.00 0.00 H new ATOM 0 HA HIS A 45 -5.460 -8.519 4.316 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.315 -10.314 6.464 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.395 -8.946 6.647 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -8.132 -9.500 5.879 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.633 -13.708 6.060 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -9.328 -11.816 5.919 1.00 0.00 H new ATOM 696 N SER A 46 -2.550 -9.046 3.669 1.00 0.00 N ATOM 697 CA SER A 46 -1.180 -8.553 3.597 1.00 0.00 C ATOM 698 C SER A 46 -0.913 -7.887 2.251 1.00 0.00 C ATOM 699 O SER A 46 -1.519 -8.240 1.238 1.00 0.00 O ATOM 700 CB SER A 46 -0.191 -9.700 3.816 1.00 0.00 C ATOM 701 OG SER A 46 -0.272 -10.197 5.141 1.00 0.00 O ATOM 0 H SER A 46 -2.819 -9.657 2.898 1.00 0.00 H new ATOM 0 HA SER A 46 -1.045 -7.811 4.384 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.399 -10.504 3.109 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.823 -9.354 3.615 1.00 0.00 H new ATOM 0 HG SER A 46 0.368 -10.930 5.255 1.00 0.00 H new ATOM 707 N LEU A 47 -0.002 -6.920 2.247 1.00 0.00 N ATOM 708 CA LEU A 47 0.347 -6.202 1.026 1.00 0.00 C ATOM 709 C LEU A 47 1.732 -6.609 0.532 1.00 0.00 C ATOM 710 O LEU A 47 2.721 -6.483 1.254 1.00 0.00 O ATOM 711 CB LEU A 47 0.302 -4.693 1.268 1.00 0.00 C ATOM 712 CG LEU A 47 -1.042 -4.011 1.008 1.00 0.00 C ATOM 713 CD1 LEU A 47 -1.026 -2.583 1.529 1.00 0.00 C ATOM 714 CD2 LEU A 47 -1.374 -4.035 -0.477 1.00 0.00 C ATOM 0 H LEU A 47 0.508 -6.615 3.076 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.383 -6.462 0.259 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.589 -4.502 2.302 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.054 -4.221 0.636 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.816 -4.562 1.542 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.991 -2.114 1.335 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.835 -2.589 2.602 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.241 -2.020 1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.334 -3.545 -0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.597 -3.509 -1.032 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.429 -5.068 -0.821 1.00 0.00 H new ATOM 726 N TYR A 48 1.795 -7.094 -0.703 1.00 0.00 N ATOM 727 CA TYR A 48 3.059 -7.518 -1.294 1.00 0.00 C ATOM 728 C TYR A 48 3.492 -6.561 -2.400 1.00 0.00 C ATOM 729 O TYR A 48 2.861 -6.487 -3.455 1.00 0.00 O ATOM 730 CB TYR A 48 2.934 -8.937 -1.851 1.00 0.00 C ATOM 731 CG TYR A 48 2.533 -9.962 -0.814 1.00 0.00 C ATOM 732 CD1 TYR A 48 3.373 -10.267 0.250 1.00 0.00 C ATOM 733 CD2 TYR A 48 1.315 -10.625 -0.899 1.00 0.00 C ATOM 734 CE1 TYR A 48 3.011 -11.204 1.199 1.00 0.00 C ATOM 735 CE2 TYR A 48 0.944 -11.561 0.047 1.00 0.00 C ATOM 736 CZ TYR A 48 1.796 -11.848 1.093 1.00 0.00 C ATOM 737 OH TYR A 48 1.431 -12.780 2.037 1.00 0.00 O ATOM 0 H TYR A 48 0.986 -7.203 -1.314 1.00 0.00 H new ATOM 0 HA TYR A 48 3.819 -7.507 -0.512 1.00 0.00 H new ATOM 0 HB2 TYR A 48 2.198 -8.939 -2.655 1.00 0.00 H new ATOM 0 HB3 TYR A 48 3.887 -9.231 -2.291 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.324 -9.763 0.337 1.00 0.00 H new ATOM 0 HD2 TYR A 48 0.647 -10.405 -1.719 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.676 -11.431 2.019 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -0.008 -12.065 -0.032 1.00 0.00 H new ATOM 0 HH TYR A 48 0.546 -13.139 1.817 1.00 0.00 H new ATOM 747 N LEU A 49 4.574 -5.831 -2.152 1.00 0.00 N ATOM 748 CA LEU A 49 5.094 -4.878 -3.126 1.00 0.00 C ATOM 749 C LEU A 49 6.221 -5.498 -3.946 1.00 0.00 C ATOM 750 O LEU A 49 6.839 -6.478 -3.529 1.00 0.00 O ATOM 751 CB LEU A 49 5.596 -3.618 -2.419 1.00 0.00 C ATOM 752 CG LEU A 49 4.566 -2.869 -1.572 1.00 0.00 C ATOM 753 CD1 LEU A 49 4.506 -3.449 -0.167 1.00 0.00 C ATOM 754 CD2 LEU A 49 4.895 -1.384 -1.524 1.00 0.00 C ATOM 0 H LEU A 49 5.108 -5.881 -1.285 1.00 0.00 H new ATOM 0 HA LEU A 49 4.283 -4.608 -3.802 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.433 -3.894 -1.777 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.985 -2.933 -3.173 1.00 0.00 H new ATOM 0 HG LEU A 49 3.586 -2.990 -2.034 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.768 -2.903 0.421 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.223 -4.500 -0.219 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.484 -3.360 0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.152 -0.866 -0.917 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.883 -1.244 -1.085 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.886 -0.976 -2.535 1.00 0.00 H new ATOM 766 N TYR A 50 6.485 -4.920 -5.112 1.00 0.00 N ATOM 767 CA TYR A 50 7.538 -5.415 -5.990 1.00 0.00 C ATOM 768 C TYR A 50 8.104 -4.290 -6.851 1.00 0.00 C ATOM 769 O TYR A 50 7.360 -3.483 -7.408 1.00 0.00 O ATOM 770 CB TYR A 50 7.000 -6.534 -6.884 1.00 0.00 C ATOM 771 CG TYR A 50 6.265 -7.615 -6.125 1.00 0.00 C ATOM 772 CD1 TYR A 50 6.958 -8.620 -5.460 1.00 0.00 C ATOM 773 CD2 TYR A 50 4.876 -7.632 -6.071 1.00 0.00 C ATOM 774 CE1 TYR A 50 6.290 -9.610 -4.766 1.00 0.00 C ATOM 775 CE2 TYR A 50 4.200 -8.617 -5.378 1.00 0.00 C ATOM 776 CZ TYR A 50 4.911 -9.604 -4.727 1.00 0.00 C ATOM 777 OH TYR A 50 4.242 -10.588 -4.036 1.00 0.00 O ATOM 0 H TYR A 50 5.984 -4.108 -5.471 1.00 0.00 H new ATOM 0 HA TYR A 50 8.340 -5.809 -5.366 1.00 0.00 H new ATOM 0 HB2 TYR A 50 6.329 -6.103 -7.627 1.00 0.00 H new ATOM 0 HB3 TYR A 50 7.831 -6.984 -7.428 1.00 0.00 H new ATOM 0 HD1 TYR A 50 8.038 -8.627 -5.486 1.00 0.00 H new ATOM 0 HD2 TYR A 50 4.316 -6.862 -6.580 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.844 -10.385 -4.257 1.00 0.00 H new ATOM 0 HE2 TYR A 50 3.120 -8.615 -5.346 1.00 0.00 H new ATOM 0 HH TYR A 50 3.276 -10.438 -4.106 1.00 0.00 H new ATOM 787 N LYS A 51 9.428 -4.243 -6.955 1.00 0.00 N ATOM 788 CA LYS A 51 10.098 -3.219 -7.748 1.00 0.00 C ATOM 789 C LYS A 51 9.686 -3.311 -9.214 1.00 0.00 C ATOM 790 O LYS A 51 9.513 -2.293 -9.885 1.00 0.00 O ATOM 791 CB LYS A 51 11.616 -3.361 -7.624 1.00 0.00 C ATOM 792 CG LYS A 51 12.136 -3.127 -6.216 1.00 0.00 C ATOM 793 CD LYS A 51 12.141 -4.410 -5.403 1.00 0.00 C ATOM 794 CE LYS A 51 13.078 -4.309 -4.209 1.00 0.00 C ATOM 795 NZ LYS A 51 12.617 -3.290 -3.226 1.00 0.00 N ATOM 0 H LYS A 51 10.059 -4.903 -6.500 1.00 0.00 H new ATOM 0 HA LYS A 51 9.798 -2.244 -7.365 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.907 -4.360 -7.948 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.095 -2.654 -8.301 1.00 0.00 H new ATOM 0 HG2 LYS A 51 13.147 -2.721 -6.263 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.516 -2.382 -5.717 1.00 0.00 H new ATOM 0 HD2 LYS A 51 11.130 -4.627 -5.057 1.00 0.00 H new ATOM 0 HD3 LYS A 51 12.446 -5.243 -6.037 1.00 0.00 H new ATOM 0 HE2 LYS A 51 13.148 -5.280 -3.719 1.00 0.00 H new ATOM 0 HE3 LYS A 51 14.080 -4.053 -4.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.425 -2.708 -2.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 11.898 -2.682 -3.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.206 -3.767 -2.398 1.00 0.00 H new ATOM 809 N ASP A 52 9.529 -4.535 -9.704 1.00 0.00 N ATOM 810 CA ASP A 52 9.135 -4.760 -11.090 1.00 0.00 C ATOM 811 C ASP A 52 7.875 -5.616 -11.165 1.00 0.00 C ATOM 812 O ASP A 52 7.376 -6.096 -10.147 1.00 0.00 O ATOM 813 CB ASP A 52 10.271 -5.433 -11.863 1.00 0.00 C ATOM 814 CG ASP A 52 11.305 -4.439 -12.355 1.00 0.00 C ATOM 815 OD1 ASP A 52 10.935 -3.532 -13.131 1.00 0.00 O ATOM 816 OD2 ASP A 52 12.483 -4.568 -11.963 1.00 0.00 O ATOM 0 H ASP A 52 9.669 -5.388 -9.162 1.00 0.00 H new ATOM 0 HA ASP A 52 8.922 -3.792 -11.543 1.00 0.00 H new ATOM 0 HB2 ASP A 52 10.756 -6.170 -11.223 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.857 -5.974 -12.714 1.00 0.00 H new ATOM 821 N LYS A 53 7.363 -5.802 -12.378 1.00 0.00 N ATOM 822 CA LYS A 53 6.161 -6.600 -12.587 1.00 0.00 C ATOM 823 C LYS A 53 6.505 -8.081 -12.708 1.00 0.00 C ATOM 824 O LYS A 53 5.976 -8.913 -11.972 1.00 0.00 O ATOM 825 CB LYS A 53 5.426 -6.131 -13.845 1.00 0.00 C ATOM 826 CG LYS A 53 3.963 -6.538 -13.881 1.00 0.00 C ATOM 827 CD LYS A 53 3.178 -5.706 -14.881 1.00 0.00 C ATOM 828 CE LYS A 53 1.678 -5.846 -14.667 1.00 0.00 C ATOM 829 NZ LYS A 53 0.913 -4.807 -15.411 1.00 0.00 N ATOM 0 H LYS A 53 7.762 -5.410 -13.231 1.00 0.00 H new ATOM 0 HA LYS A 53 5.511 -6.466 -11.722 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.494 -5.045 -13.912 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.929 -6.537 -14.723 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.884 -7.593 -14.143 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.528 -6.422 -12.888 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.464 -4.658 -14.788 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.433 -6.017 -15.894 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.356 -6.836 -14.990 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.454 -5.770 -13.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.105 -4.936 -15.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.202 -3.863 -15.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.107 -4.896 -16.429 1.00 0.00 H new ATOM 843 N ARG A 54 7.396 -8.402 -13.641 1.00 0.00 N ATOM 844 CA ARG A 54 7.811 -9.783 -13.858 1.00 0.00 C ATOM 845 C ARG A 54 8.266 -10.426 -12.551 1.00 0.00 C ATOM 846 O ARG A 54 8.631 -9.733 -11.602 1.00 0.00 O ATOM 847 CB ARG A 54 8.940 -9.842 -14.888 1.00 0.00 C ATOM 848 CG ARG A 54 8.550 -9.298 -16.252 1.00 0.00 C ATOM 849 CD ARG A 54 7.919 -10.374 -17.122 1.00 0.00 C ATOM 850 NE ARG A 54 7.402 -9.832 -18.376 1.00 0.00 N ATOM 851 CZ ARG A 54 7.193 -10.566 -19.463 1.00 0.00 C ATOM 852 NH1 ARG A 54 7.455 -11.866 -19.450 1.00 0.00 N ATOM 853 NH2 ARG A 54 6.720 -10.000 -20.566 1.00 0.00 N ATOM 0 H ARG A 54 7.844 -7.725 -14.258 1.00 0.00 H new ATOM 0 HA ARG A 54 6.953 -10.339 -14.237 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.793 -9.278 -14.512 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.266 -10.876 -14.998 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.850 -8.472 -16.129 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.432 -8.897 -16.751 1.00 0.00 H new ATOM 0 HD2 ARG A 54 8.659 -11.145 -17.338 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.109 -10.854 -16.574 1.00 0.00 H new ATOM 0 HE ARG A 54 7.190 -8.835 -18.419 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.818 -12.305 -18.604 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.293 -12.427 -20.286 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.517 -9.001 -20.579 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.560 -10.564 -21.400 1.00 0.00 H new ATOM 867 N GLU A 55 8.241 -11.754 -12.510 1.00 0.00 N ATOM 868 CA GLU A 55 8.649 -12.489 -11.319 1.00 0.00 C ATOM 869 C GLU A 55 7.750 -12.148 -10.134 1.00 0.00 C ATOM 870 O GLU A 55 8.233 -11.817 -9.052 1.00 0.00 O ATOM 871 CB GLU A 55 10.107 -12.177 -10.975 1.00 0.00 C ATOM 872 CG GLU A 55 11.108 -13.027 -11.738 1.00 0.00 C ATOM 873 CD GLU A 55 11.090 -14.480 -11.304 1.00 0.00 C ATOM 874 OE1 GLU A 55 10.858 -14.737 -10.104 1.00 0.00 O ATOM 875 OE2 GLU A 55 11.308 -15.360 -12.163 1.00 0.00 O ATOM 0 H GLU A 55 7.943 -12.343 -13.288 1.00 0.00 H new ATOM 0 HA GLU A 55 8.553 -13.554 -11.530 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.303 -11.125 -11.183 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.259 -12.324 -9.906 1.00 0.00 H new ATOM 0 HG2 GLU A 55 10.891 -12.968 -12.805 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.109 -12.621 -11.593 1.00 0.00 H new ATOM 882 N GLN A 56 6.441 -12.230 -10.349 1.00 0.00 N ATOM 883 CA GLN A 56 5.475 -11.928 -9.299 1.00 0.00 C ATOM 884 C GLN A 56 5.115 -13.185 -8.513 1.00 0.00 C ATOM 885 O GLN A 56 4.105 -13.223 -7.811 1.00 0.00 O ATOM 886 CB GLN A 56 4.212 -11.310 -9.901 1.00 0.00 C ATOM 887 CG GLN A 56 3.495 -10.355 -8.962 1.00 0.00 C ATOM 888 CD GLN A 56 4.246 -9.052 -8.768 1.00 0.00 C ATOM 889 OE1 GLN A 56 5.317 -9.024 -8.162 1.00 0.00 O ATOM 890 NE2 GLN A 56 3.686 -7.964 -9.285 1.00 0.00 N ATOM 0 H GLN A 56 6.025 -12.503 -11.240 1.00 0.00 H new ATOM 0 HA GLN A 56 5.931 -11.212 -8.616 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.478 -10.777 -10.814 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.527 -12.109 -10.186 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.501 -10.142 -9.356 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.357 -10.838 -7.995 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.797 -8.034 -9.780 1.00 0.00 H new ATOM 0 HE22 GLN A 56 4.145 -7.059 -9.187 1.00 0.00 H new ATOM 899 N THR A 57 5.949 -14.213 -8.636 1.00 0.00 N ATOM 900 CA THR A 57 5.718 -15.472 -7.939 1.00 0.00 C ATOM 901 C THR A 57 6.113 -15.367 -6.470 1.00 0.00 C ATOM 902 O THR A 57 5.333 -15.709 -5.580 1.00 0.00 O ATOM 903 CB THR A 57 6.504 -16.626 -8.589 1.00 0.00 C ATOM 904 OG1 THR A 57 7.899 -16.307 -8.631 1.00 0.00 O ATOM 905 CG2 THR A 57 5.998 -16.899 -9.997 1.00 0.00 C ATOM 0 H THR A 57 6.791 -14.198 -9.212 1.00 0.00 H new ATOM 0 HA THR A 57 4.651 -15.683 -8.012 1.00 0.00 H new ATOM 0 HB THR A 57 6.355 -17.522 -7.986 1.00 0.00 H new ATOM 0 HG1 THR A 57 8.391 -17.047 -9.044 1.00 0.00 H new ATOM 0 HG21 THR A 57 6.568 -17.718 -10.436 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.943 -17.171 -9.958 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.120 -16.004 -10.607 1.00 0.00 H new ATOM 913 N THR A 58 7.330 -14.891 -6.221 1.00 0.00 N ATOM 914 CA THR A 58 7.828 -14.742 -4.860 1.00 0.00 C ATOM 915 C THR A 58 7.419 -13.398 -4.269 1.00 0.00 C ATOM 916 O THR A 58 7.160 -12.430 -4.986 1.00 0.00 O ATOM 917 CB THR A 58 9.362 -14.868 -4.807 1.00 0.00 C ATOM 918 OG1 THR A 58 9.953 -14.113 -5.870 1.00 0.00 O ATOM 919 CG2 THR A 58 9.790 -16.324 -4.914 1.00 0.00 C ATOM 0 H THR A 58 7.988 -14.602 -6.945 1.00 0.00 H new ATOM 0 HA THR A 58 7.384 -15.545 -4.271 1.00 0.00 H new ATOM 0 HB THR A 58 9.703 -14.475 -3.849 1.00 0.00 H new ATOM 0 HG1 THR A 58 10.599 -13.476 -5.499 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.877 -16.387 -4.874 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.363 -16.891 -4.086 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.437 -16.739 -5.858 1.00 0.00 H new ATOM 927 N PRO A 59 7.359 -13.332 -2.931 1.00 0.00 N ATOM 928 CA PRO A 59 6.984 -12.110 -2.214 1.00 0.00 C ATOM 929 C PRO A 59 8.051 -11.026 -2.317 1.00 0.00 C ATOM 930 O PRO A 59 9.109 -11.237 -2.911 1.00 0.00 O ATOM 931 CB PRO A 59 6.837 -12.580 -0.765 1.00 0.00 C ATOM 932 CG PRO A 59 7.710 -13.783 -0.666 1.00 0.00 C ATOM 933 CD PRO A 59 7.655 -14.446 -2.014 1.00 0.00 C ATOM 0 HA PRO A 59 6.081 -11.658 -2.624 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.149 -11.806 -0.064 1.00 0.00 H new ATOM 0 HB3 PRO A 59 5.800 -12.823 -0.531 1.00 0.00 H new ATOM 0 HG2 PRO A 59 8.732 -13.504 -0.410 1.00 0.00 H new ATOM 0 HG3 PRO A 59 7.359 -14.457 0.115 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.599 -14.931 -2.262 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.883 -15.214 -2.053 1.00 0.00 H new ATOM 941 N SER A 60 7.767 -9.865 -1.735 1.00 0.00 N ATOM 942 CA SER A 60 8.702 -8.747 -1.765 1.00 0.00 C ATOM 943 C SER A 60 10.143 -9.241 -1.681 1.00 0.00 C ATOM 944 O SER A 60 10.499 -9.998 -0.778 1.00 0.00 O ATOM 945 CB SER A 60 8.414 -7.783 -0.612 1.00 0.00 C ATOM 946 OG SER A 60 9.084 -6.548 -0.800 1.00 0.00 O ATOM 0 H SER A 60 6.897 -9.674 -1.237 1.00 0.00 H new ATOM 0 HA SER A 60 8.571 -8.221 -2.711 1.00 0.00 H new ATOM 0 HB2 SER A 60 7.340 -7.610 -0.538 1.00 0.00 H new ATOM 0 HB3 SER A 60 8.730 -8.232 0.329 1.00 0.00 H new ATOM 0 HG SER A 60 8.506 -5.936 -1.302 1.00 0.00 H new ATOM 952 N GLU A 61 10.967 -8.806 -2.629 1.00 0.00 N ATOM 953 CA GLU A 61 12.370 -9.204 -2.663 1.00 0.00 C ATOM 954 C GLU A 61 13.133 -8.611 -1.482 1.00 0.00 C ATOM 955 O GLU A 61 13.635 -9.339 -0.626 1.00 0.00 O ATOM 956 CB GLU A 61 13.017 -8.762 -3.976 1.00 0.00 C ATOM 957 CG GLU A 61 12.491 -9.502 -5.194 1.00 0.00 C ATOM 958 CD GLU A 61 12.980 -10.936 -5.261 1.00 0.00 C ATOM 959 OE1 GLU A 61 14.186 -11.162 -5.031 1.00 0.00 O ATOM 960 OE2 GLU A 61 12.156 -11.831 -5.544 1.00 0.00 O ATOM 0 H GLU A 61 10.688 -8.178 -3.383 1.00 0.00 H new ATOM 0 HA GLU A 61 12.414 -10.291 -2.593 1.00 0.00 H new ATOM 0 HB2 GLU A 61 12.851 -7.693 -4.111 1.00 0.00 H new ATOM 0 HB3 GLU A 61 14.095 -8.911 -3.908 1.00 0.00 H new ATOM 0 HG2 GLU A 61 11.401 -9.494 -5.177 1.00 0.00 H new ATOM 0 HG3 GLU A 61 12.799 -8.974 -6.096 1.00 0.00 H new ATOM 967 N GLU A 62 13.215 -7.285 -1.444 1.00 0.00 N ATOM 968 CA GLU A 62 13.918 -6.595 -0.369 1.00 0.00 C ATOM 969 C GLU A 62 12.953 -6.194 0.743 1.00 0.00 C ATOM 970 O GLU A 62 13.091 -6.631 1.885 1.00 0.00 O ATOM 971 CB GLU A 62 14.632 -5.354 -0.911 1.00 0.00 C ATOM 972 CG GLU A 62 15.655 -5.664 -1.990 1.00 0.00 C ATOM 973 CD GLU A 62 16.348 -4.420 -2.512 1.00 0.00 C ATOM 974 OE1 GLU A 62 17.019 -3.736 -1.712 1.00 0.00 O ATOM 975 OE2 GLU A 62 16.218 -4.131 -3.720 1.00 0.00 O ATOM 0 H GLU A 62 12.804 -6.668 -2.144 1.00 0.00 H new ATOM 0 HA GLU A 62 14.658 -7.280 0.045 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.890 -4.665 -1.313 1.00 0.00 H new ATOM 0 HB3 GLU A 62 15.129 -4.842 -0.087 1.00 0.00 H new ATOM 0 HG2 GLU A 62 16.401 -6.351 -1.591 1.00 0.00 H new ATOM 0 HG3 GLU A 62 15.162 -6.175 -2.817 1.00 0.00 H new ATOM 982 N GLU A 63 11.976 -5.360 0.399 1.00 0.00 N ATOM 983 CA GLU A 63 10.989 -4.900 1.368 1.00 0.00 C ATOM 984 C GLU A 63 10.252 -6.079 1.997 1.00 0.00 C ATOM 985 O GLU A 63 10.387 -7.217 1.549 1.00 0.00 O ATOM 986 CB GLU A 63 9.987 -3.956 0.700 1.00 0.00 C ATOM 987 CG GLU A 63 10.595 -2.634 0.261 1.00 0.00 C ATOM 988 CD GLU A 63 10.643 -1.613 1.380 1.00 0.00 C ATOM 989 OE1 GLU A 63 11.609 -1.643 2.171 1.00 0.00 O ATOM 990 OE2 GLU A 63 9.713 -0.783 1.465 1.00 0.00 O ATOM 0 H GLU A 63 11.847 -4.990 -0.543 1.00 0.00 H new ATOM 0 HA GLU A 63 11.516 -4.361 2.156 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.555 -4.454 -0.168 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.170 -3.758 1.393 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.605 -2.808 -0.110 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.016 -2.230 -0.569 1.00 0.00 H new ATOM 997 N GLN A 64 9.475 -5.797 3.037 1.00 0.00 N ATOM 998 CA GLN A 64 8.718 -6.834 3.728 1.00 0.00 C ATOM 999 C GLN A 64 7.219 -6.563 3.643 1.00 0.00 C ATOM 1000 O GLN A 64 6.777 -5.422 3.509 1.00 0.00 O ATOM 1001 CB GLN A 64 9.150 -6.921 5.193 1.00 0.00 C ATOM 1002 CG GLN A 64 8.490 -5.881 6.084 1.00 0.00 C ATOM 1003 CD GLN A 64 8.734 -6.137 7.558 1.00 0.00 C ATOM 1004 OE1 GLN A 64 9.814 -6.579 7.953 1.00 0.00 O ATOM 1005 NE2 GLN A 64 7.730 -5.860 8.382 1.00 0.00 N ATOM 0 H GLN A 64 9.353 -4.859 3.420 1.00 0.00 H new ATOM 0 HA GLN A 64 8.925 -7.786 3.238 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.916 -7.915 5.574 1.00 0.00 H new ATOM 0 HB3 GLN A 64 10.232 -6.804 5.252 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.868 -4.892 5.823 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.417 -5.873 5.893 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.852 -5.495 8.012 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.837 -6.012 9.385 1.00 0.00 H new ATOM 1014 N PRO A 65 6.418 -7.635 3.721 1.00 0.00 N ATOM 1015 CA PRO A 65 4.957 -7.538 3.655 1.00 0.00 C ATOM 1016 C PRO A 65 4.363 -6.881 4.897 1.00 0.00 C ATOM 1017 O PRO A 65 4.842 -7.093 6.011 1.00 0.00 O ATOM 1018 CB PRO A 65 4.508 -8.998 3.556 1.00 0.00 C ATOM 1019 CG PRO A 65 5.610 -9.777 4.188 1.00 0.00 C ATOM 1020 CD PRO A 65 6.876 -9.026 3.881 1.00 0.00 C ATOM 0 HA PRO A 65 4.627 -6.919 2.821 1.00 0.00 H new ATOM 0 HB2 PRO A 65 3.563 -9.157 4.075 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.357 -9.296 2.519 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.459 -9.864 5.264 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.651 -10.790 3.789 1.00 0.00 H new ATOM 0 HD2 PRO A 65 7.604 -9.119 4.687 1.00 0.00 H new ATOM 0 HD3 PRO A 65 7.354 -9.398 2.975 1.00 0.00 H new ATOM 1028 N ILE A 66 3.318 -6.086 4.697 1.00 0.00 N ATOM 1029 CA ILE A 66 2.658 -5.400 5.801 1.00 0.00 C ATOM 1030 C ILE A 66 1.255 -5.951 6.031 1.00 0.00 C ATOM 1031 O ILE A 66 0.432 -5.983 5.116 1.00 0.00 O ATOM 1032 CB ILE A 66 2.567 -3.883 5.548 1.00 0.00 C ATOM 1033 CG1 ILE A 66 3.923 -3.337 5.096 1.00 0.00 C ATOM 1034 CG2 ILE A 66 2.093 -3.165 6.803 1.00 0.00 C ATOM 1035 CD1 ILE A 66 3.817 -2.126 4.196 1.00 0.00 C ATOM 0 H ILE A 66 2.910 -5.901 3.781 1.00 0.00 H new ATOM 0 HA ILE A 66 3.265 -5.576 6.689 1.00 0.00 H new ATOM 0 HB ILE A 66 1.842 -3.705 4.754 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.512 -3.076 5.975 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.466 -4.123 4.571 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.034 -2.094 6.609 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.108 -3.538 7.086 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.797 -3.348 7.615 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.816 -1.793 3.915 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.256 -2.387 3.299 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.303 -1.324 4.725 1.00 0.00 H new ATOM 1047 N SER A 67 0.988 -6.381 7.260 1.00 0.00 N ATOM 1048 CA SER A 67 -0.316 -6.933 7.610 1.00 0.00 C ATOM 1049 C SER A 67 -1.351 -5.823 7.766 1.00 0.00 C ATOM 1050 O SER A 67 -1.325 -5.066 8.736 1.00 0.00 O ATOM 1051 CB SER A 67 -0.220 -7.741 8.905 1.00 0.00 C ATOM 1052 OG SER A 67 -1.442 -8.402 9.186 1.00 0.00 O ATOM 0 H SER A 67 1.657 -6.358 8.030 1.00 0.00 H new ATOM 0 HA SER A 67 -0.633 -7.592 6.802 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.583 -8.474 8.821 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.038 -7.079 9.732 1.00 0.00 H new ATOM 0 HG SER A 67 -1.354 -8.913 10.018 1.00 0.00 H new ATOM 1058 N VAL A 68 -2.262 -5.733 6.802 1.00 0.00 N ATOM 1059 CA VAL A 68 -3.308 -4.717 6.831 1.00 0.00 C ATOM 1060 C VAL A 68 -4.531 -5.210 7.595 1.00 0.00 C ATOM 1061 O VAL A 68 -5.458 -4.445 7.862 1.00 0.00 O ATOM 1062 CB VAL A 68 -3.734 -4.310 5.408 1.00 0.00 C ATOM 1063 CG1 VAL A 68 -2.521 -3.922 4.577 1.00 0.00 C ATOM 1064 CG2 VAL A 68 -4.508 -5.438 4.741 1.00 0.00 C ATOM 0 H VAL A 68 -2.297 -6.351 5.991 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.892 -3.848 7.340 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.389 -3.441 5.478 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.842 -3.638 3.575 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.012 -3.081 5.047 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.838 -4.769 4.512 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.801 -5.134 3.736 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.878 -6.326 4.682 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.399 -5.664 5.327 1.00 0.00 H new ATOM 1074 N ASN A 69 -4.527 -6.492 7.945 1.00 0.00 N ATOM 1075 CA ASN A 69 -5.637 -7.087 8.680 1.00 0.00 C ATOM 1076 C ASN A 69 -6.258 -6.077 9.640 1.00 0.00 C ATOM 1077 O ASN A 69 -7.480 -5.969 9.739 1.00 0.00 O ATOM 1078 CB ASN A 69 -5.162 -8.319 9.453 1.00 0.00 C ATOM 1079 CG ASN A 69 -6.313 -9.193 9.911 1.00 0.00 C ATOM 1080 OD1 ASN A 69 -6.563 -10.257 9.344 1.00 0.00 O ATOM 1081 ND2 ASN A 69 -7.022 -8.747 10.942 1.00 0.00 N ATOM 0 H ASN A 69 -3.768 -7.139 7.732 1.00 0.00 H new ATOM 0 HA ASN A 69 -6.397 -7.390 7.959 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -4.493 -8.905 8.822 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.584 -8.000 10.320 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -7.809 -9.292 11.294 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.779 -7.859 11.382 1.00 0.00 H new ATOM 1088 N ALA A 70 -5.407 -5.340 10.346 1.00 0.00 N ATOM 1089 CA ALA A 70 -5.871 -4.337 11.296 1.00 0.00 C ATOM 1090 C ALA A 70 -5.193 -2.993 11.052 1.00 0.00 C ATOM 1091 O ALA A 70 -4.448 -2.500 11.899 1.00 0.00 O ATOM 1092 CB ALA A 70 -5.620 -4.805 12.722 1.00 0.00 C ATOM 0 H ALA A 70 -4.392 -5.419 10.278 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.943 -4.205 11.151 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.971 -4.046 13.421 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.156 -5.737 12.899 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.552 -4.967 12.869 1.00 0.00 H new ATOM 1098 N CYS A 71 -5.456 -2.406 9.889 1.00 0.00 N ATOM 1099 CA CYS A 71 -4.869 -1.119 9.533 1.00 0.00 C ATOM 1100 C CYS A 71 -5.945 -0.045 9.416 1.00 0.00 C ATOM 1101 O CYS A 71 -7.135 -0.323 9.571 1.00 0.00 O ATOM 1102 CB CYS A 71 -4.101 -1.233 8.215 1.00 0.00 C ATOM 1103 SG CYS A 71 -5.157 -1.317 6.750 1.00 0.00 S ATOM 0 H CYS A 71 -6.071 -2.801 9.177 1.00 0.00 H new ATOM 0 HA CYS A 71 -4.178 -0.831 10.325 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -3.434 -0.376 8.120 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -3.473 -2.123 8.249 1.00 0.00 H new ATOM 0 HG CYS A 71 -4.752 -0.448 5.872 1.00 0.00 H new ATOM 1109 N LEU A 72 -5.520 1.184 9.145 1.00 0.00 N ATOM 1110 CA LEU A 72 -6.447 2.302 9.009 1.00 0.00 C ATOM 1111 C LEU A 72 -6.117 3.137 7.776 1.00 0.00 C ATOM 1112 O LEU A 72 -4.985 3.588 7.605 1.00 0.00 O ATOM 1113 CB LEU A 72 -6.403 3.181 10.260 1.00 0.00 C ATOM 1114 CG LEU A 72 -7.131 4.522 10.165 1.00 0.00 C ATOM 1115 CD1 LEU A 72 -7.709 4.914 11.515 1.00 0.00 C ATOM 1116 CD2 LEU A 72 -6.191 5.604 9.651 1.00 0.00 C ATOM 0 H LEU A 72 -4.539 1.432 9.015 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.452 1.896 8.892 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.828 2.618 11.090 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.359 3.374 10.507 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.954 4.417 9.458 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.223 5.871 11.427 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.415 4.152 11.844 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.904 5.001 12.244 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.726 6.552 9.590 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.347 5.707 10.333 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.826 5.329 8.662 1.00 0.00 H new ATOM 1128 N ILE A 73 -7.114 3.339 6.921 1.00 0.00 N ATOM 1129 CA ILE A 73 -6.931 4.123 5.706 1.00 0.00 C ATOM 1130 C ILE A 73 -7.645 5.466 5.804 1.00 0.00 C ATOM 1131 O ILE A 73 -8.712 5.570 6.410 1.00 0.00 O ATOM 1132 CB ILE A 73 -7.447 3.368 4.466 1.00 0.00 C ATOM 1133 CG1 ILE A 73 -6.475 2.252 4.079 1.00 0.00 C ATOM 1134 CG2 ILE A 73 -7.647 4.331 3.305 1.00 0.00 C ATOM 1135 CD1 ILE A 73 -7.086 1.205 3.176 1.00 0.00 C ATOM 0 H ILE A 73 -8.057 2.971 7.047 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.860 4.292 5.599 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.409 2.917 4.708 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.611 2.691 3.580 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.109 1.770 4.985 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.012 3.783 2.436 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.375 5.093 3.585 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.698 4.808 3.061 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.340 0.446 2.943 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.933 0.739 3.680 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.427 1.674 2.253 1.00 0.00 H new ATOM 1147 N ASP A 74 -7.052 6.491 5.202 1.00 0.00 N ATOM 1148 CA ASP A 74 -7.634 7.828 5.219 1.00 0.00 C ATOM 1149 C ASP A 74 -7.019 8.702 4.130 1.00 0.00 C ATOM 1150 O ASP A 74 -5.803 8.889 4.083 1.00 0.00 O ATOM 1151 CB ASP A 74 -7.429 8.479 6.588 1.00 0.00 C ATOM 1152 CG ASP A 74 -8.520 8.109 7.574 1.00 0.00 C ATOM 1153 OD1 ASP A 74 -9.683 7.966 7.144 1.00 0.00 O ATOM 1154 OD2 ASP A 74 -8.210 7.963 8.775 1.00 0.00 O ATOM 0 H ASP A 74 -6.169 6.422 4.696 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.703 7.735 5.025 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.462 8.176 6.990 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.401 9.562 6.471 1.00 0.00 H new ATOM 1159 N ILE A 75 -7.867 9.232 3.255 1.00 0.00 N ATOM 1160 CA ILE A 75 -7.407 10.085 2.167 1.00 0.00 C ATOM 1161 C ILE A 75 -6.326 11.050 2.644 1.00 0.00 C ATOM 1162 O ILE A 75 -6.624 12.109 3.196 1.00 0.00 O ATOM 1163 CB ILE A 75 -8.567 10.894 1.556 1.00 0.00 C ATOM 1164 CG1 ILE A 75 -9.650 9.952 1.027 1.00 0.00 C ATOM 1165 CG2 ILE A 75 -8.055 11.798 0.445 1.00 0.00 C ATOM 1166 CD1 ILE A 75 -10.926 10.661 0.630 1.00 0.00 C ATOM 0 H ILE A 75 -8.876 9.086 3.279 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.992 9.426 1.404 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.004 11.520 2.334 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.260 9.412 0.164 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.879 9.209 1.791 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.886 12.363 0.023 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -7.315 12.489 0.850 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.596 11.191 -0.335 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.649 9.932 0.264 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -11.339 11.179 1.496 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -10.711 11.384 -0.157 1.00 0.00 H new ATOM 1178 N SER A 76 -5.069 10.677 2.425 1.00 0.00 N ATOM 1179 CA SER A 76 -3.943 11.507 2.834 1.00 0.00 C ATOM 1180 C SER A 76 -4.280 12.989 2.692 1.00 0.00 C ATOM 1181 O SER A 76 -5.097 13.373 1.854 1.00 0.00 O ATOM 1182 CB SER A 76 -2.705 11.173 1.999 1.00 0.00 C ATOM 1183 OG SER A 76 -1.532 11.702 2.591 1.00 0.00 O ATOM 0 H SER A 76 -4.805 9.805 1.966 1.00 0.00 H new ATOM 0 HA SER A 76 -3.733 11.298 3.883 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.610 10.092 1.900 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.822 11.576 0.993 1.00 0.00 H new ATOM 0 HG SER A 76 -0.755 11.473 2.039 1.00 0.00 H new ATOM 1189 N TYR A 77 -3.646 13.815 3.516 1.00 0.00 N ATOM 1190 CA TYR A 77 -3.880 15.254 3.485 1.00 0.00 C ATOM 1191 C TYR A 77 -3.697 15.805 2.075 1.00 0.00 C ATOM 1192 O TYR A 77 -2.575 15.917 1.581 1.00 0.00 O ATOM 1193 CB TYR A 77 -2.932 15.966 4.451 1.00 0.00 C ATOM 1194 CG TYR A 77 -1.503 15.481 4.365 1.00 0.00 C ATOM 1195 CD1 TYR A 77 -1.083 14.367 5.080 1.00 0.00 C ATOM 1196 CD2 TYR A 77 -0.572 16.138 3.569 1.00 0.00 C ATOM 1197 CE1 TYR A 77 0.223 13.920 5.005 1.00 0.00 C ATOM 1198 CE2 TYR A 77 0.734 15.698 3.486 1.00 0.00 C ATOM 1199 CZ TYR A 77 1.127 14.589 4.206 1.00 0.00 C ATOM 1200 OH TYR A 77 2.428 14.148 4.128 1.00 0.00 O ATOM 0 H TYR A 77 -2.966 13.513 4.214 1.00 0.00 H new ATOM 0 HA TYR A 77 -4.909 15.437 3.796 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.956 17.037 4.248 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -3.293 15.827 5.470 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.789 13.841 5.705 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -0.876 17.008 3.006 1.00 0.00 H new ATOM 0 HE1 TYR A 77 0.534 13.053 5.568 1.00 0.00 H new ATOM 0 HE2 TYR A 77 1.444 16.219 2.861 1.00 0.00 H new ATOM 0 HH TYR A 77 2.934 14.728 3.522 1.00 0.00 H new ATOM 1210 N SER A 78 -4.808 16.150 1.432 1.00 0.00 N ATOM 1211 CA SER A 78 -4.772 16.688 0.077 1.00 0.00 C ATOM 1212 C SER A 78 -3.665 17.727 -0.066 1.00 0.00 C ATOM 1213 O SER A 78 -3.182 17.987 -1.167 1.00 0.00 O ATOM 1214 CB SER A 78 -6.122 17.312 -0.282 1.00 0.00 C ATOM 1215 OG SER A 78 -6.265 18.593 0.307 1.00 0.00 O ATOM 0 H SER A 78 -5.744 16.067 1.828 1.00 0.00 H new ATOM 0 HA SER A 78 -4.565 15.866 -0.608 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.211 17.394 -1.365 1.00 0.00 H new ATOM 0 HB3 SER A 78 -6.928 16.661 0.056 1.00 0.00 H new ATOM 0 HG SER A 78 -7.135 18.971 0.061 1.00 0.00 H new ATOM 1221 N GLU A 79 -3.268 18.318 1.057 1.00 0.00 N ATOM 1222 CA GLU A 79 -2.218 19.330 1.057 1.00 0.00 C ATOM 1223 C GLU A 79 -1.012 18.862 0.247 1.00 0.00 C ATOM 1224 O GLU A 79 -0.437 19.625 -0.530 1.00 0.00 O ATOM 1225 CB GLU A 79 -1.789 19.652 2.490 1.00 0.00 C ATOM 1226 CG GLU A 79 -2.604 20.762 3.134 1.00 0.00 C ATOM 1227 CD GLU A 79 -4.098 20.548 2.988 1.00 0.00 C ATOM 1228 OE1 GLU A 79 -4.693 19.898 3.873 1.00 0.00 O ATOM 1229 OE2 GLU A 79 -4.672 21.030 1.989 1.00 0.00 O ATOM 0 H GLU A 79 -3.657 18.114 1.977 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.618 20.232 0.594 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.874 18.751 3.097 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.737 19.938 2.490 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.352 20.826 4.192 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.332 21.716 2.683 1.00 0.00 H new ATOM 1236 N THR A 80 -0.632 17.602 0.436 1.00 0.00 N ATOM 1237 CA THR A 80 0.506 17.032 -0.274 1.00 0.00 C ATOM 1238 C THR A 80 0.373 17.237 -1.779 1.00 0.00 C ATOM 1239 O THR A 80 -0.553 16.724 -2.407 1.00 0.00 O ATOM 1240 CB THR A 80 0.653 15.527 0.016 1.00 0.00 C ATOM 1241 OG1 THR A 80 1.808 15.009 -0.653 1.00 0.00 O ATOM 1242 CG2 THR A 80 -0.584 14.765 -0.435 1.00 0.00 C ATOM 0 H THR A 80 -1.096 16.957 1.075 1.00 0.00 H new ATOM 0 HA THR A 80 1.395 17.552 0.084 1.00 0.00 H new ATOM 0 HB THR A 80 0.768 15.397 1.092 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.895 14.052 -0.462 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.456 13.704 -0.220 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.457 15.141 0.098 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.726 14.903 -1.507 1.00 0.00 H new ATOM 1250 N LYS A 81 1.306 17.990 -2.353 1.00 0.00 N ATOM 1251 CA LYS A 81 1.295 18.262 -3.786 1.00 0.00 C ATOM 1252 C LYS A 81 0.754 17.066 -4.563 1.00 0.00 C ATOM 1253 O LYS A 81 0.024 17.227 -5.541 1.00 0.00 O ATOM 1254 CB LYS A 81 2.705 18.603 -4.272 1.00 0.00 C ATOM 1255 CG LYS A 81 3.727 17.517 -3.984 1.00 0.00 C ATOM 1256 CD LYS A 81 5.147 18.022 -4.176 1.00 0.00 C ATOM 1257 CE LYS A 81 5.598 18.879 -3.003 1.00 0.00 C ATOM 1258 NZ LYS A 81 5.840 18.063 -1.781 1.00 0.00 N ATOM 0 H LYS A 81 2.079 18.423 -1.848 1.00 0.00 H new ATOM 0 HA LYS A 81 0.640 19.115 -3.963 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.675 18.787 -5.346 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.029 19.530 -3.799 1.00 0.00 H new ATOM 0 HG2 LYS A 81 3.602 17.160 -2.962 1.00 0.00 H new ATOM 0 HG3 LYS A 81 3.550 16.666 -4.642 1.00 0.00 H new ATOM 0 HD2 LYS A 81 5.823 17.175 -4.290 1.00 0.00 H new ATOM 0 HD3 LYS A 81 5.206 18.603 -5.096 1.00 0.00 H new ATOM 0 HE2 LYS A 81 6.511 19.411 -3.271 1.00 0.00 H new ATOM 0 HE3 LYS A 81 4.840 19.633 -2.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.379 18.623 -1.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 4.929 17.783 -1.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 6.381 17.212 -2.034 1.00 0.00 H new ATOM 1272 N ARG A 82 1.116 15.866 -4.120 1.00 0.00 N ATOM 1273 CA ARG A 82 0.666 14.643 -4.774 1.00 0.00 C ATOM 1274 C ARG A 82 -0.854 14.519 -4.709 1.00 0.00 C ATOM 1275 O ARG A 82 -1.462 14.740 -3.662 1.00 0.00 O ATOM 1276 CB ARG A 82 1.316 13.421 -4.121 1.00 0.00 C ATOM 1277 CG ARG A 82 2.804 13.298 -4.406 1.00 0.00 C ATOM 1278 CD ARG A 82 3.639 13.845 -3.260 1.00 0.00 C ATOM 1279 NE ARG A 82 5.019 14.104 -3.662 1.00 0.00 N ATOM 1280 CZ ARG A 82 5.951 14.565 -2.835 1.00 0.00 C ATOM 1281 NH1 ARG A 82 5.653 14.816 -1.568 1.00 0.00 N ATOM 1282 NH2 ARG A 82 7.185 14.774 -3.276 1.00 0.00 N ATOM 0 H ARG A 82 1.719 15.715 -3.311 1.00 0.00 H new ATOM 0 HA ARG A 82 0.965 14.690 -5.821 1.00 0.00 H new ATOM 0 HB2 ARG A 82 1.164 13.472 -3.043 1.00 0.00 H new ATOM 0 HB3 ARG A 82 0.812 12.521 -4.472 1.00 0.00 H new ATOM 0 HG2 ARG A 82 3.058 12.251 -4.575 1.00 0.00 H new ATOM 0 HG3 ARG A 82 3.045 13.836 -5.322 1.00 0.00 H new ATOM 0 HD2 ARG A 82 3.190 14.767 -2.892 1.00 0.00 H new ATOM 0 HD3 ARG A 82 3.630 13.134 -2.434 1.00 0.00 H new ATOM 0 HE ARG A 82 5.282 13.921 -4.630 1.00 0.00 H new ATOM 0 HH11 ARG A 82 4.706 14.655 -1.225 1.00 0.00 H new ATOM 0 HH12 ARG A 82 6.371 15.170 -0.936 1.00 0.00 H new ATOM 0 HH21 ARG A 82 7.418 14.581 -4.250 1.00 0.00 H new ATOM 0 HH22 ARG A 82 7.900 15.128 -2.641 1.00 0.00 H new ATOM 1296 N LYS A 83 -1.461 14.164 -5.836 1.00 0.00 N ATOM 1297 CA LYS A 83 -2.909 14.010 -5.909 1.00 0.00 C ATOM 1298 C LYS A 83 -3.298 12.535 -5.955 1.00 0.00 C ATOM 1299 O LYS A 83 -2.476 11.677 -6.277 1.00 0.00 O ATOM 1300 CB LYS A 83 -3.458 14.731 -7.142 1.00 0.00 C ATOM 1301 CG LYS A 83 -2.920 16.141 -7.312 1.00 0.00 C ATOM 1302 CD LYS A 83 -3.462 16.797 -8.570 1.00 0.00 C ATOM 1303 CE LYS A 83 -4.905 17.241 -8.390 1.00 0.00 C ATOM 1304 NZ LYS A 83 -5.003 18.518 -7.631 1.00 0.00 N ATOM 0 H LYS A 83 -0.973 13.977 -6.712 1.00 0.00 H new ATOM 0 HA LYS A 83 -3.342 14.454 -5.013 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.215 14.149 -8.031 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -4.545 14.772 -7.075 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -3.189 16.741 -6.443 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -1.831 16.113 -7.355 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.845 17.658 -8.827 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -3.397 16.097 -9.403 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.372 17.363 -9.367 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -5.461 16.464 -7.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -6.003 18.786 -7.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.581 18.395 -6.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.494 19.266 -8.143 1.00 0.00 H new ATOM 1318 N ASN A 84 -4.555 12.249 -5.633 1.00 0.00 N ATOM 1319 CA ASN A 84 -5.052 10.878 -5.639 1.00 0.00 C ATOM 1320 C ASN A 84 -4.177 9.978 -4.770 1.00 0.00 C ATOM 1321 O ASN A 84 -3.812 8.874 -5.172 1.00 0.00 O ATOM 1322 CB ASN A 84 -5.098 10.336 -7.069 1.00 0.00 C ATOM 1323 CG ASN A 84 -5.287 11.434 -8.098 1.00 0.00 C ATOM 1324 OD1 ASN A 84 -4.359 11.783 -8.827 1.00 0.00 O ATOM 1325 ND2 ASN A 84 -6.494 11.984 -8.160 1.00 0.00 N ATOM 0 H ASN A 84 -5.248 12.948 -5.365 1.00 0.00 H new ATOM 0 HA ASN A 84 -6.061 10.882 -5.227 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -4.174 9.799 -7.281 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -5.912 9.616 -7.156 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -6.682 12.728 -8.832 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -7.234 11.663 -7.535 1.00 0.00 H new ATOM 1332 N VAL A 85 -3.846 10.459 -3.576 1.00 0.00 N ATOM 1333 CA VAL A 85 -3.016 9.699 -2.649 1.00 0.00 C ATOM 1334 C VAL A 85 -3.777 9.377 -1.368 1.00 0.00 C ATOM 1335 O VAL A 85 -4.409 10.249 -0.772 1.00 0.00 O ATOM 1336 CB VAL A 85 -1.729 10.466 -2.290 1.00 0.00 C ATOM 1337 CG1 VAL A 85 -2.065 11.827 -1.701 1.00 0.00 C ATOM 1338 CG2 VAL A 85 -0.878 9.654 -1.325 1.00 0.00 C ATOM 0 H VAL A 85 -4.140 11.372 -3.228 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.748 8.770 -3.152 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.154 10.624 -3.202 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.143 12.354 -1.454 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.631 12.408 -2.428 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.661 11.696 -0.798 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.027 10.210 -1.082 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.443 9.464 -0.413 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.607 8.705 -1.788 1.00 0.00 H new ATOM 1348 N PHE A 86 -3.712 8.117 -0.950 1.00 0.00 N ATOM 1349 CA PHE A 86 -4.395 7.678 0.262 1.00 0.00 C ATOM 1350 C PHE A 86 -3.391 7.277 1.338 1.00 0.00 C ATOM 1351 O PHE A 86 -2.331 6.728 1.039 1.00 0.00 O ATOM 1352 CB PHE A 86 -5.324 6.502 -0.049 1.00 0.00 C ATOM 1353 CG PHE A 86 -4.671 5.423 -0.865 1.00 0.00 C ATOM 1354 CD1 PHE A 86 -4.310 5.654 -2.182 1.00 0.00 C ATOM 1355 CD2 PHE A 86 -4.420 4.176 -0.315 1.00 0.00 C ATOM 1356 CE1 PHE A 86 -3.709 4.664 -2.936 1.00 0.00 C ATOM 1357 CE2 PHE A 86 -3.819 3.182 -1.063 1.00 0.00 C ATOM 1358 CZ PHE A 86 -3.464 3.425 -2.375 1.00 0.00 C ATOM 0 H PHE A 86 -3.194 7.382 -1.432 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.988 8.512 0.637 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.680 6.073 0.888 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.199 6.872 -0.584 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -4.501 6.620 -2.625 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -4.697 3.979 0.710 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.431 4.858 -3.961 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -3.627 2.215 -0.622 1.00 0.00 H new ATOM 0 HZ PHE A 86 -2.996 2.648 -2.962 1.00 0.00 H new ATOM 1368 N ARG A 87 -3.733 7.557 2.591 1.00 0.00 N ATOM 1369 CA ARG A 87 -2.861 7.228 3.713 1.00 0.00 C ATOM 1370 C ARG A 87 -3.293 5.920 4.371 1.00 0.00 C ATOM 1371 O ARG A 87 -4.482 5.684 4.585 1.00 0.00 O ATOM 1372 CB ARG A 87 -2.871 8.358 4.743 1.00 0.00 C ATOM 1373 CG ARG A 87 -1.768 8.244 5.783 1.00 0.00 C ATOM 1374 CD ARG A 87 -1.394 9.605 6.349 1.00 0.00 C ATOM 1375 NE ARG A 87 -2.329 10.044 7.381 1.00 0.00 N ATOM 1376 CZ ARG A 87 -2.139 11.121 8.136 1.00 0.00 C ATOM 1377 NH1 ARG A 87 -1.053 11.864 7.974 1.00 0.00 N ATOM 1378 NH2 ARG A 87 -3.036 11.456 9.054 1.00 0.00 N ATOM 0 H ARG A 87 -4.607 8.011 2.855 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.848 7.105 3.330 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.773 9.312 4.224 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.836 8.368 5.249 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.095 7.590 6.591 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -0.889 7.781 5.334 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.388 9.560 6.767 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.372 10.339 5.544 1.00 0.00 H new ATOM 0 HE ARG A 87 -3.175 9.494 7.531 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -0.361 11.609 7.269 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -0.909 12.690 8.555 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -3.873 10.887 9.181 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.889 12.283 9.633 1.00 0.00 H new ATOM 1392 N LEU A 88 -2.319 5.075 4.690 1.00 0.00 N ATOM 1393 CA LEU A 88 -2.598 3.791 5.324 1.00 0.00 C ATOM 1394 C LEU A 88 -1.673 3.559 6.514 1.00 0.00 C ATOM 1395 O LEU A 88 -0.450 3.646 6.392 1.00 0.00 O ATOM 1396 CB LEU A 88 -2.439 2.655 4.312 1.00 0.00 C ATOM 1397 CG LEU A 88 -2.347 1.244 4.895 1.00 0.00 C ATOM 1398 CD1 LEU A 88 -2.929 0.227 3.925 1.00 0.00 C ATOM 1399 CD2 LEU A 88 -0.904 0.899 5.231 1.00 0.00 C ATOM 0 H LEU A 88 -1.330 5.255 4.520 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.627 3.808 5.684 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.284 2.688 3.624 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.541 2.843 3.724 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.930 1.213 5.815 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.855 -0.771 4.357 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.976 0.463 3.735 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.374 0.259 2.988 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.858 -0.108 5.645 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.298 0.948 4.326 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.521 1.610 5.963 1.00 0.00 H new ATOM 1411 N THR A 89 -2.264 3.262 7.668 1.00 0.00 N ATOM 1412 CA THR A 89 -1.494 3.017 8.880 1.00 0.00 C ATOM 1413 C THR A 89 -1.649 1.575 9.348 1.00 0.00 C ATOM 1414 O THR A 89 -2.760 1.111 9.608 1.00 0.00 O ATOM 1415 CB THR A 89 -1.922 3.963 10.018 1.00 0.00 C ATOM 1416 OG1 THR A 89 -2.009 5.307 9.532 1.00 0.00 O ATOM 1417 CG2 THR A 89 -0.934 3.900 11.174 1.00 0.00 C ATOM 0 H THR A 89 -3.274 3.186 7.788 1.00 0.00 H new ATOM 0 HA THR A 89 -0.449 3.206 8.634 1.00 0.00 H new ATOM 0 HB THR A 89 -2.900 3.643 10.378 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.283 5.901 10.261 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.257 4.576 11.966 1.00 0.00 H new ATOM 0 HG22 THR A 89 -0.891 2.882 11.561 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.055 4.197 10.824 1.00 0.00 H new ATOM 1425 N THR A 90 -0.528 0.868 9.455 1.00 0.00 N ATOM 1426 CA THR A 90 -0.540 -0.523 9.891 1.00 0.00 C ATOM 1427 C THR A 90 0.210 -0.693 11.207 1.00 0.00 C ATOM 1428 O THR A 90 1.264 -0.091 11.414 1.00 0.00 O ATOM 1429 CB THR A 90 0.087 -1.449 8.832 1.00 0.00 C ATOM 1430 OG1 THR A 90 1.509 -1.287 8.820 1.00 0.00 O ATOM 1431 CG2 THR A 90 -0.474 -1.150 7.450 1.00 0.00 C ATOM 0 H THR A 90 0.400 1.236 9.246 1.00 0.00 H new ATOM 0 HA THR A 90 -1.584 -0.801 10.033 1.00 0.00 H new ATOM 0 HB THR A 90 -0.159 -2.479 9.091 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.730 -0.345 8.662 1.00 0.00 H new ATOM 0 HG21 THR A 90 -0.016 -1.817 6.719 1.00 0.00 H new ATOM 0 HG22 THR A 90 -1.553 -1.303 7.454 1.00 0.00 H new ATOM 0 HG23 THR A 90 -0.255 -0.116 7.185 1.00 0.00 H new ATOM 1439 N SER A 91 -0.338 -1.517 12.094 1.00 0.00 N ATOM 1440 CA SER A 91 0.278 -1.763 13.392 1.00 0.00 C ATOM 1441 C SER A 91 1.790 -1.914 13.255 1.00 0.00 C ATOM 1442 O SER A 91 2.545 -1.559 14.161 1.00 0.00 O ATOM 1443 CB SER A 91 -0.315 -3.020 14.032 1.00 0.00 C ATOM 1444 OG SER A 91 -0.293 -2.931 15.446 1.00 0.00 O ATOM 0 H SER A 91 -1.208 -2.026 11.937 1.00 0.00 H new ATOM 0 HA SER A 91 0.072 -0.906 14.033 1.00 0.00 H new ATOM 0 HB2 SER A 91 -1.340 -3.157 13.689 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.249 -3.896 13.711 1.00 0.00 H new ATOM 0 HG SER A 91 -0.679 -3.745 15.831 1.00 0.00 H new ATOM 1450 N ASP A 92 2.225 -2.441 12.116 1.00 0.00 N ATOM 1451 CA ASP A 92 3.647 -2.639 11.859 1.00 0.00 C ATOM 1452 C ASP A 92 4.353 -1.302 11.657 1.00 0.00 C ATOM 1453 O ASP A 92 5.191 -0.902 12.467 1.00 0.00 O ATOM 1454 CB ASP A 92 3.846 -3.525 10.628 1.00 0.00 C ATOM 1455 CG ASP A 92 3.614 -4.993 10.929 1.00 0.00 C ATOM 1456 OD1 ASP A 92 4.569 -5.666 11.370 1.00 0.00 O ATOM 1457 OD2 ASP A 92 2.478 -5.469 10.723 1.00 0.00 O ATOM 0 H ASP A 92 1.614 -2.739 11.356 1.00 0.00 H new ATOM 0 HA ASP A 92 4.083 -3.133 12.727 1.00 0.00 H new ATOM 0 HB2 ASP A 92 3.164 -3.206 9.840 1.00 0.00 H new ATOM 0 HB3 ASP A 92 4.858 -3.391 10.247 1.00 0.00 H new ATOM 1462 N CYS A 93 4.011 -0.615 10.572 1.00 0.00 N ATOM 1463 CA CYS A 93 4.613 0.676 10.263 1.00 0.00 C ATOM 1464 C CYS A 93 3.681 1.518 9.397 1.00 0.00 C ATOM 1465 O CYS A 93 2.840 0.984 8.674 1.00 0.00 O ATOM 1466 CB CYS A 93 5.953 0.480 9.551 1.00 0.00 C ATOM 1467 SG CYS A 93 7.312 0.019 10.650 1.00 0.00 S ATOM 0 H CYS A 93 3.320 -0.931 9.892 1.00 0.00 H new ATOM 0 HA CYS A 93 4.782 1.204 11.201 1.00 0.00 H new ATOM 0 HB2 CYS A 93 5.838 -0.291 8.789 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.216 1.403 9.033 1.00 0.00 H new ATOM 0 HG CYS A 93 6.831 -0.502 11.739 1.00 0.00 H new ATOM 1473 N GLU A 94 3.837 2.835 9.476 1.00 0.00 N ATOM 1474 CA GLU A 94 3.007 3.750 8.701 1.00 0.00 C ATOM 1475 C GLU A 94 3.668 4.086 7.367 1.00 0.00 C ATOM 1476 O GLU A 94 4.890 4.210 7.281 1.00 0.00 O ATOM 1477 CB GLU A 94 2.748 5.034 9.492 1.00 0.00 C ATOM 1478 CG GLU A 94 1.413 5.686 9.172 1.00 0.00 C ATOM 1479 CD GLU A 94 1.293 6.084 7.714 1.00 0.00 C ATOM 1480 OE1 GLU A 94 2.317 6.488 7.123 1.00 0.00 O ATOM 1481 OE2 GLU A 94 0.176 5.993 7.163 1.00 0.00 O ATOM 0 H GLU A 94 4.530 3.293 10.068 1.00 0.00 H new ATOM 0 HA GLU A 94 2.056 3.257 8.502 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.787 4.809 10.558 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.549 5.745 9.287 1.00 0.00 H new ATOM 0 HG2 GLU A 94 0.607 4.997 9.424 1.00 0.00 H new ATOM 0 HG3 GLU A 94 1.285 6.569 9.798 1.00 0.00 H new ATOM 1488 N CYS A 95 2.851 4.232 6.329 1.00 0.00 N ATOM 1489 CA CYS A 95 3.356 4.553 4.999 1.00 0.00 C ATOM 1490 C CYS A 95 2.304 5.299 4.184 1.00 0.00 C ATOM 1491 O CYS A 95 1.204 5.568 4.668 1.00 0.00 O ATOM 1492 CB CYS A 95 3.774 3.276 4.268 1.00 0.00 C ATOM 1493 SG CYS A 95 4.695 2.106 5.294 1.00 0.00 S ATOM 0 H CYS A 95 1.837 4.133 6.383 1.00 0.00 H new ATOM 0 HA CYS A 95 4.226 5.199 5.113 1.00 0.00 H new ATOM 0 HB2 CYS A 95 2.882 2.782 3.884 1.00 0.00 H new ATOM 0 HB3 CYS A 95 4.385 3.547 3.407 1.00 0.00 H new ATOM 0 HG CYS A 95 5.296 2.748 6.251 1.00 0.00 H new ATOM 1499 N LEU A 96 2.650 5.632 2.945 1.00 0.00 N ATOM 1500 CA LEU A 96 1.736 6.349 2.062 1.00 0.00 C ATOM 1501 C LEU A 96 1.619 5.647 0.714 1.00 0.00 C ATOM 1502 O LEU A 96 2.513 4.904 0.309 1.00 0.00 O ATOM 1503 CB LEU A 96 2.215 7.788 1.861 1.00 0.00 C ATOM 1504 CG LEU A 96 1.802 8.790 2.940 1.00 0.00 C ATOM 1505 CD1 LEU A 96 2.512 10.119 2.733 1.00 0.00 C ATOM 1506 CD2 LEU A 96 0.293 8.984 2.939 1.00 0.00 C ATOM 0 H LEU A 96 3.556 5.417 2.529 1.00 0.00 H new ATOM 0 HA LEU A 96 0.752 6.362 2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.303 7.782 1.797 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.841 8.144 0.901 1.00 0.00 H new ATOM 0 HG LEU A 96 2.096 8.391 3.911 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.206 10.820 3.510 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.590 9.967 2.785 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.249 10.524 1.756 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.018 9.700 3.713 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.025 9.361 1.967 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.197 8.030 3.136 1.00 0.00 H new ATOM 1518 N PHE A 97 0.511 5.889 0.021 1.00 0.00 N ATOM 1519 CA PHE A 97 0.276 5.280 -1.283 1.00 0.00 C ATOM 1520 C PHE A 97 -0.391 6.270 -2.233 1.00 0.00 C ATOM 1521 O PHE A 97 -1.465 6.797 -1.943 1.00 0.00 O ATOM 1522 CB PHE A 97 -0.594 4.030 -1.138 1.00 0.00 C ATOM 1523 CG PHE A 97 0.086 2.908 -0.406 1.00 0.00 C ATOM 1524 CD1 PHE A 97 0.854 1.981 -1.092 1.00 0.00 C ATOM 1525 CD2 PHE A 97 -0.044 2.780 0.968 1.00 0.00 C ATOM 1526 CE1 PHE A 97 1.481 0.948 -0.422 1.00 0.00 C ATOM 1527 CE2 PHE A 97 0.581 1.750 1.643 1.00 0.00 C ATOM 1528 CZ PHE A 97 1.344 0.831 0.948 1.00 0.00 C ATOM 0 H PHE A 97 -0.238 6.503 0.341 1.00 0.00 H new ATOM 0 HA PHE A 97 1.241 4.995 -1.702 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -1.511 4.294 -0.611 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -0.885 3.683 -2.129 1.00 0.00 H new ATOM 0 HD1 PHE A 97 0.964 2.067 -2.163 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -0.641 3.494 1.517 1.00 0.00 H new ATOM 0 HE1 PHE A 97 2.078 0.233 -0.969 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.473 1.663 2.714 1.00 0.00 H new ATOM 0 HZ PHE A 97 1.832 0.024 1.474 1.00 0.00 H new ATOM 1538 N GLN A 98 0.254 6.518 -3.369 1.00 0.00 N ATOM 1539 CA GLN A 98 -0.276 7.446 -4.361 1.00 0.00 C ATOM 1540 C GLN A 98 -0.897 6.694 -5.533 1.00 0.00 C ATOM 1541 O GLN A 98 -0.630 5.509 -5.733 1.00 0.00 O ATOM 1542 CB GLN A 98 0.830 8.375 -4.864 1.00 0.00 C ATOM 1543 CG GLN A 98 0.313 9.559 -5.664 1.00 0.00 C ATOM 1544 CD GLN A 98 1.406 10.552 -6.009 1.00 0.00 C ATOM 1545 OE1 GLN A 98 2.588 10.299 -5.773 1.00 0.00 O ATOM 1546 NE2 GLN A 98 1.016 11.690 -6.572 1.00 0.00 N ATOM 0 H GLN A 98 1.144 6.089 -3.625 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.053 8.043 -3.884 1.00 0.00 H new ATOM 0 HB2 GLN A 98 1.399 8.744 -4.011 1.00 0.00 H new ATOM 0 HB3 GLN A 98 1.520 7.802 -5.483 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.148 9.198 -6.583 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -0.466 10.065 -5.094 1.00 0.00 H new ATOM 0 HE21 GLN A 98 0.026 11.858 -6.750 1.00 0.00 H new ATOM 0 HE22 GLN A 98 1.707 12.396 -6.827 1.00 0.00 H new ATOM 1555 N ALA A 99 -1.726 7.389 -6.304 1.00 0.00 N ATOM 1556 CA ALA A 99 -2.383 6.787 -7.457 1.00 0.00 C ATOM 1557 C ALA A 99 -2.364 7.731 -8.655 1.00 0.00 C ATOM 1558 O ALA A 99 -1.782 8.813 -8.594 1.00 0.00 O ATOM 1559 CB ALA A 99 -3.814 6.403 -7.108 1.00 0.00 C ATOM 0 H ALA A 99 -1.959 8.370 -6.151 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.832 5.886 -7.729 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -4.293 5.955 -7.978 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -3.808 5.686 -6.287 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.367 7.293 -6.808 1.00 0.00 H new ATOM 1565 N GLU A 100 -3.005 7.313 -9.742 1.00 0.00 N ATOM 1566 CA GLU A 100 -3.059 8.121 -10.954 1.00 0.00 C ATOM 1567 C GLU A 100 -4.356 8.924 -11.015 1.00 0.00 C ATOM 1568 O GLU A 100 -4.337 10.155 -11.027 1.00 0.00 O ATOM 1569 CB GLU A 100 -2.938 7.232 -12.194 1.00 0.00 C ATOM 1570 CG GLU A 100 -2.165 7.876 -13.332 1.00 0.00 C ATOM 1571 CD GLU A 100 -2.189 7.043 -14.599 1.00 0.00 C ATOM 1572 OE1 GLU A 100 -2.279 5.802 -14.492 1.00 0.00 O ATOM 1573 OE2 GLU A 100 -2.119 7.633 -15.697 1.00 0.00 O ATOM 0 H GLU A 100 -3.494 6.420 -9.808 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.221 8.817 -10.933 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -2.448 6.299 -11.915 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -3.937 6.975 -12.545 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -2.585 8.860 -13.541 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.131 8.030 -13.023 1.00 0.00 H new ATOM 1580 N ASP A 101 -5.480 8.217 -11.055 1.00 0.00 N ATOM 1581 CA ASP A 101 -6.787 8.862 -11.114 1.00 0.00 C ATOM 1582 C ASP A 101 -7.558 8.648 -9.816 1.00 0.00 C ATOM 1583 O ASP A 101 -7.435 7.604 -9.174 1.00 0.00 O ATOM 1584 CB ASP A 101 -7.593 8.322 -12.296 1.00 0.00 C ATOM 1585 CG ASP A 101 -6.735 8.092 -13.525 1.00 0.00 C ATOM 1586 OD1 ASP A 101 -5.763 8.851 -13.721 1.00 0.00 O ATOM 1587 OD2 ASP A 101 -7.036 7.152 -14.290 1.00 0.00 O ATOM 0 H ASP A 101 -5.513 7.198 -11.048 1.00 0.00 H new ATOM 0 HA ASP A 101 -6.631 9.932 -11.250 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -8.070 7.385 -12.009 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -8.390 9.024 -12.539 1.00 0.00 H new ATOM 1592 N ARG A 102 -8.352 9.643 -9.434 1.00 0.00 N ATOM 1593 CA ARG A 102 -9.141 9.565 -8.210 1.00 0.00 C ATOM 1594 C ARG A 102 -9.844 8.215 -8.103 1.00 0.00 C ATOM 1595 O ARG A 102 -9.778 7.550 -7.068 1.00 0.00 O ATOM 1596 CB ARG A 102 -10.173 10.693 -8.171 1.00 0.00 C ATOM 1597 CG ARG A 102 -11.019 10.701 -6.908 1.00 0.00 C ATOM 1598 CD ARG A 102 -12.271 11.546 -7.082 1.00 0.00 C ATOM 1599 NE ARG A 102 -11.990 12.973 -6.956 1.00 0.00 N ATOM 1600 CZ ARG A 102 -12.925 13.915 -7.018 1.00 0.00 C ATOM 1601 NH1 ARG A 102 -14.195 13.581 -7.203 1.00 0.00 N ATOM 1602 NH2 ARG A 102 -12.591 15.193 -6.894 1.00 0.00 N ATOM 0 H ARG A 102 -8.466 10.513 -9.954 1.00 0.00 H new ATOM 0 HA ARG A 102 -8.464 9.672 -7.363 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -9.657 11.649 -8.259 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -10.829 10.604 -9.037 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -11.301 9.680 -6.651 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -10.430 11.088 -6.077 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -12.709 11.348 -8.060 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -13.011 11.255 -6.337 1.00 0.00 H new ATOM 0 HE ARG A 102 -11.023 13.263 -6.812 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -14.456 12.599 -7.298 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -14.911 14.306 -7.250 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -11.615 15.454 -6.751 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -13.310 15.915 -6.942 1.00 0.00 H new ATOM 1616 N ASP A 103 -10.516 7.816 -9.177 1.00 0.00 N ATOM 1617 CA ASP A 103 -11.230 6.545 -9.204 1.00 0.00 C ATOM 1618 C ASP A 103 -10.324 5.402 -8.756 1.00 0.00 C ATOM 1619 O ASP A 103 -10.665 4.648 -7.845 1.00 0.00 O ATOM 1620 CB ASP A 103 -11.766 6.266 -10.610 1.00 0.00 C ATOM 1621 CG ASP A 103 -13.150 6.845 -10.827 1.00 0.00 C ATOM 1622 OD1 ASP A 103 -14.139 6.134 -10.554 1.00 0.00 O ATOM 1623 OD2 ASP A 103 -13.244 8.009 -11.272 1.00 0.00 O ATOM 0 H ASP A 103 -10.581 8.355 -10.041 1.00 0.00 H new ATOM 0 HA ASP A 103 -12.068 6.613 -8.511 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -11.080 6.685 -11.347 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -11.795 5.189 -10.778 1.00 0.00 H new ATOM 1628 N ASP A 104 -9.171 5.280 -9.403 1.00 0.00 N ATOM 1629 CA ASP A 104 -8.215 4.230 -9.071 1.00 0.00 C ATOM 1630 C ASP A 104 -7.807 4.310 -7.604 1.00 0.00 C ATOM 1631 O ASP A 104 -7.678 3.289 -6.929 1.00 0.00 O ATOM 1632 CB ASP A 104 -6.978 4.336 -9.964 1.00 0.00 C ATOM 1633 CG ASP A 104 -7.157 3.622 -11.289 1.00 0.00 C ATOM 1634 OD1 ASP A 104 -8.088 3.985 -12.037 1.00 0.00 O ATOM 1635 OD2 ASP A 104 -6.366 2.699 -11.578 1.00 0.00 O ATOM 0 H ASP A 104 -8.875 5.895 -10.161 1.00 0.00 H new ATOM 0 HA ASP A 104 -8.696 3.267 -9.243 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -6.756 5.387 -10.148 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -6.119 3.915 -9.441 1.00 0.00 H new ATOM 1640 N MET A 105 -7.606 5.530 -7.117 1.00 0.00 N ATOM 1641 CA MET A 105 -7.213 5.742 -5.728 1.00 0.00 C ATOM 1642 C MET A 105 -8.274 5.204 -4.774 1.00 0.00 C ATOM 1643 O MET A 105 -7.963 4.470 -3.834 1.00 0.00 O ATOM 1644 CB MET A 105 -6.981 7.232 -5.464 1.00 0.00 C ATOM 1645 CG MET A 105 -6.330 7.516 -4.120 1.00 0.00 C ATOM 1646 SD MET A 105 -6.811 9.116 -3.441 1.00 0.00 S ATOM 1647 CE MET A 105 -8.595 8.963 -3.444 1.00 0.00 C ATOM 0 H MET A 105 -7.708 6.386 -7.662 1.00 0.00 H new ATOM 0 HA MET A 105 -6.284 5.199 -5.552 1.00 0.00 H new ATOM 0 HB2 MET A 105 -6.353 7.640 -6.256 1.00 0.00 H new ATOM 0 HB3 MET A 105 -7.936 7.755 -5.514 1.00 0.00 H new ATOM 0 HG2 MET A 105 -6.602 6.730 -3.415 1.00 0.00 H new ATOM 0 HG3 MET A 105 -5.246 7.484 -4.231 1.00 0.00 H new ATOM 0 HE1 MET A 105 -9.002 9.435 -2.550 1.00 0.00 H new ATOM 0 HE2 MET A 105 -9.001 9.453 -4.329 1.00 0.00 H new ATOM 0 HE3 MET A 105 -8.870 7.908 -3.455 1.00 0.00 H new ATOM 1657 N LEU A 106 -9.526 5.571 -5.021 1.00 0.00 N ATOM 1658 CA LEU A 106 -10.634 5.125 -4.183 1.00 0.00 C ATOM 1659 C LEU A 106 -10.758 3.605 -4.210 1.00 0.00 C ATOM 1660 O LEU A 106 -10.832 2.960 -3.164 1.00 0.00 O ATOM 1661 CB LEU A 106 -11.943 5.764 -4.650 1.00 0.00 C ATOM 1662 CG LEU A 106 -12.043 7.281 -4.492 1.00 0.00 C ATOM 1663 CD1 LEU A 106 -13.311 7.804 -5.149 1.00 0.00 C ATOM 1664 CD2 LEU A 106 -12.005 7.668 -3.021 1.00 0.00 C ATOM 0 H LEU A 106 -9.800 6.176 -5.795 1.00 0.00 H new ATOM 0 HA LEU A 106 -10.431 5.437 -3.158 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -12.089 5.518 -5.702 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -12.764 5.306 -4.099 1.00 0.00 H new ATOM 0 HG LEU A 106 -11.186 7.735 -4.989 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -13.365 8.886 -5.026 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -13.298 7.560 -6.211 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -14.180 7.342 -4.681 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -12.077 8.752 -2.928 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -12.842 7.202 -2.501 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -11.068 7.328 -2.579 1.00 0.00 H new ATOM 1676 N ALA A 107 -10.779 3.039 -5.412 1.00 0.00 N ATOM 1677 CA ALA A 107 -10.891 1.595 -5.575 1.00 0.00 C ATOM 1678 C ALA A 107 -9.957 0.861 -4.618 1.00 0.00 C ATOM 1679 O ALA A 107 -10.340 -0.134 -4.004 1.00 0.00 O ATOM 1680 CB ALA A 107 -10.591 1.201 -7.014 1.00 0.00 C ATOM 0 H ALA A 107 -10.720 3.559 -6.288 1.00 0.00 H new ATOM 0 HA ALA A 107 -11.914 1.306 -5.337 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -10.678 0.120 -7.121 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -11.301 1.690 -7.681 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -9.578 1.510 -7.272 1.00 0.00 H new ATOM 1686 N TRP A 108 -8.731 1.358 -4.498 1.00 0.00 N ATOM 1687 CA TRP A 108 -7.742 0.748 -3.616 1.00 0.00 C ATOM 1688 C TRP A 108 -8.167 0.868 -2.157 1.00 0.00 C ATOM 1689 O TRP A 108 -8.208 -0.125 -1.429 1.00 0.00 O ATOM 1690 CB TRP A 108 -6.376 1.405 -3.818 1.00 0.00 C ATOM 1691 CG TRP A 108 -5.540 0.728 -4.862 1.00 0.00 C ATOM 1692 CD1 TRP A 108 -5.244 1.201 -6.108 1.00 0.00 C ATOM 1693 CD2 TRP A 108 -4.894 -0.545 -4.750 1.00 0.00 C ATOM 1694 NE1 TRP A 108 -4.454 0.298 -6.778 1.00 0.00 N ATOM 1695 CE2 TRP A 108 -4.224 -0.781 -5.966 1.00 0.00 C ATOM 1696 CE3 TRP A 108 -4.816 -1.508 -3.740 1.00 0.00 C ATOM 1697 CZ2 TRP A 108 -3.488 -1.940 -6.197 1.00 0.00 C ATOM 1698 CZ3 TRP A 108 -4.084 -2.658 -3.971 1.00 0.00 C ATOM 1699 CH2 TRP A 108 -3.428 -2.865 -5.191 1.00 0.00 C ATOM 0 H TRP A 108 -8.398 2.181 -5.000 1.00 0.00 H new ATOM 0 HA TRP A 108 -7.670 -0.310 -3.868 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -6.521 2.448 -4.099 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -5.836 1.402 -2.871 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -5.581 2.146 -6.508 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -4.097 0.413 -7.726 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -5.318 -1.357 -2.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -2.982 -2.103 -7.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -4.017 -3.409 -3.198 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -2.863 -3.773 -5.341 1.00 0.00 H new ATOM 1710 N ILE A 109 -8.483 2.088 -1.735 1.00 0.00 N ATOM 1711 CA ILE A 109 -8.906 2.335 -0.362 1.00 0.00 C ATOM 1712 C ILE A 109 -10.005 1.364 0.058 1.00 0.00 C ATOM 1713 O ILE A 109 -9.901 0.701 1.090 1.00 0.00 O ATOM 1714 CB ILE A 109 -9.415 3.778 -0.181 1.00 0.00 C ATOM 1715 CG1 ILE A 109 -8.293 4.777 -0.471 1.00 0.00 C ATOM 1716 CG2 ILE A 109 -9.958 3.975 1.226 1.00 0.00 C ATOM 1717 CD1 ILE A 109 -8.782 6.197 -0.653 1.00 0.00 C ATOM 0 H ILE A 109 -8.454 2.920 -2.324 1.00 0.00 H new ATOM 0 HA ILE A 109 -8.031 2.185 0.270 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.225 3.955 -0.889 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -7.573 4.751 0.347 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -7.763 4.465 -1.371 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.314 4.999 1.339 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -10.783 3.283 1.398 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.167 3.784 1.951 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -7.934 6.851 -0.855 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -9.479 6.237 -1.490 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -9.286 6.527 0.255 1.00 0.00 H new ATOM 1729 N LYS A 110 -11.057 1.285 -0.749 1.00 0.00 N ATOM 1730 CA LYS A 110 -12.175 0.393 -0.465 1.00 0.00 C ATOM 1731 C LYS A 110 -11.703 -1.054 -0.359 1.00 0.00 C ATOM 1732 O LYS A 110 -11.777 -1.666 0.706 1.00 0.00 O ATOM 1733 CB LYS A 110 -13.242 0.515 -1.555 1.00 0.00 C ATOM 1734 CG LYS A 110 -14.310 -0.563 -1.484 1.00 0.00 C ATOM 1735 CD LYS A 110 -15.246 -0.500 -2.679 1.00 0.00 C ATOM 1736 CE LYS A 110 -16.393 0.469 -2.439 1.00 0.00 C ATOM 1737 NZ LYS A 110 -16.065 1.844 -2.908 1.00 0.00 N ATOM 0 H LYS A 110 -11.159 1.829 -1.606 1.00 0.00 H new ATOM 0 HA LYS A 110 -12.608 0.686 0.492 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -13.718 1.492 -1.478 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -12.759 0.472 -2.531 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -13.836 -1.544 -1.443 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -14.884 -0.448 -0.565 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -14.688 -0.193 -3.564 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -15.645 -1.494 -2.883 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -17.284 0.112 -2.955 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -16.630 0.495 -1.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -16.292 2.529 -2.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -15.051 1.901 -3.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -16.622 2.063 -3.758 1.00 0.00 H new ATOM 1751 N THR A 111 -11.217 -1.595 -1.472 1.00 0.00 N ATOM 1752 CA THR A 111 -10.733 -2.970 -1.505 1.00 0.00 C ATOM 1753 C THR A 111 -9.934 -3.301 -0.250 1.00 0.00 C ATOM 1754 O THR A 111 -10.287 -4.212 0.499 1.00 0.00 O ATOM 1755 CB THR A 111 -9.854 -3.226 -2.743 1.00 0.00 C ATOM 1756 OG1 THR A 111 -10.554 -2.839 -3.930 1.00 0.00 O ATOM 1757 CG2 THR A 111 -9.463 -4.693 -2.834 1.00 0.00 C ATOM 0 H THR A 111 -11.148 -1.102 -2.362 1.00 0.00 H new ATOM 0 HA THR A 111 -11.611 -3.614 -1.553 1.00 0.00 H new ATOM 0 HB THR A 111 -8.947 -2.629 -2.647 1.00 0.00 H new ATOM 0 HG1 THR A 111 -10.468 -1.871 -4.060 1.00 0.00 H new ATOM 0 HG21 THR A 111 -8.842 -4.850 -3.716 1.00 0.00 H new ATOM 0 HG22 THR A 111 -8.904 -4.977 -1.942 1.00 0.00 H new ATOM 0 HG23 THR A 111 -10.362 -5.305 -2.909 1.00 0.00 H new ATOM 1765 N ILE A 112 -8.857 -2.556 -0.026 1.00 0.00 N ATOM 1766 CA ILE A 112 -8.009 -2.771 1.139 1.00 0.00 C ATOM 1767 C ILE A 112 -8.825 -2.737 2.427 1.00 0.00 C ATOM 1768 O ILE A 112 -8.801 -3.683 3.213 1.00 0.00 O ATOM 1769 CB ILE A 112 -6.892 -1.714 1.225 1.00 0.00 C ATOM 1770 CG1 ILE A 112 -6.085 -1.686 -0.074 1.00 0.00 C ATOM 1771 CG2 ILE A 112 -5.984 -1.998 2.413 1.00 0.00 C ATOM 1772 CD1 ILE A 112 -5.413 -0.357 -0.341 1.00 0.00 C ATOM 0 H ILE A 112 -8.551 -1.798 -0.636 1.00 0.00 H new ATOM 0 HA ILE A 112 -7.558 -3.756 1.023 1.00 0.00 H new ATOM 0 HB ILE A 112 -7.349 -0.735 1.368 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -5.325 -2.467 -0.037 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -6.746 -1.924 -0.908 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -5.200 -1.243 2.460 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -6.569 -1.972 3.332 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -5.532 -2.983 2.298 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -4.859 -0.411 -1.278 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -6.169 0.425 -0.411 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -4.726 -0.126 0.473 1.00 0.00 H new ATOM 1784 N GLN A 113 -9.548 -1.641 2.634 1.00 0.00 N ATOM 1785 CA GLN A 113 -10.374 -1.485 3.826 1.00 0.00 C ATOM 1786 C GLN A 113 -11.228 -2.726 4.063 1.00 0.00 C ATOM 1787 O GLN A 113 -11.338 -3.209 5.189 1.00 0.00 O ATOM 1788 CB GLN A 113 -11.270 -0.252 3.694 1.00 0.00 C ATOM 1789 CG GLN A 113 -10.591 1.041 4.116 1.00 0.00 C ATOM 1790 CD GLN A 113 -11.581 2.153 4.400 1.00 0.00 C ATOM 1791 OE1 GLN A 113 -12.749 2.073 4.020 1.00 0.00 O ATOM 1792 NE2 GLN A 113 -11.118 3.200 5.073 1.00 0.00 N ATOM 0 H GLN A 113 -9.579 -0.849 1.993 1.00 0.00 H new ATOM 0 HA GLN A 113 -9.711 -1.354 4.682 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -11.597 -0.160 2.658 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -12.165 -0.397 4.299 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -9.991 0.858 5.007 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -9.906 1.361 3.330 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -10.142 3.225 5.369 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -11.738 3.979 5.294 1.00 0.00 H new ATOM 1801 N GLU A 114 -11.831 -3.236 2.993 1.00 0.00 N ATOM 1802 CA GLU A 114 -12.677 -4.421 3.087 1.00 0.00 C ATOM 1803 C GLU A 114 -11.925 -5.575 3.743 1.00 0.00 C ATOM 1804 O GLU A 114 -12.438 -6.227 4.652 1.00 0.00 O ATOM 1805 CB GLU A 114 -13.163 -4.838 1.697 1.00 0.00 C ATOM 1806 CG GLU A 114 -14.158 -3.867 1.084 1.00 0.00 C ATOM 1807 CD GLU A 114 -15.483 -3.845 1.821 1.00 0.00 C ATOM 1808 OE1 GLU A 114 -15.845 -4.880 2.420 1.00 0.00 O ATOM 1809 OE2 GLU A 114 -16.157 -2.795 1.799 1.00 0.00 O ATOM 0 H GLU A 114 -11.750 -2.848 2.053 1.00 0.00 H new ATOM 0 HA GLU A 114 -13.539 -4.174 3.706 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -12.303 -4.931 1.034 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -13.623 -5.824 1.763 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -13.729 -2.865 1.085 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -14.330 -4.139 0.043 1.00 0.00 H new ATOM 1816 N SER A 115 -10.707 -5.823 3.273 1.00 0.00 N ATOM 1817 CA SER A 115 -9.885 -6.902 3.810 1.00 0.00 C ATOM 1818 C SER A 115 -9.521 -6.633 5.267 1.00 0.00 C ATOM 1819 O SER A 115 -9.487 -7.549 6.089 1.00 0.00 O ATOM 1820 CB SER A 115 -8.613 -7.066 2.976 1.00 0.00 C ATOM 1821 OG SER A 115 -8.923 -7.266 1.608 1.00 0.00 O ATOM 0 H SER A 115 -10.267 -5.292 2.522 1.00 0.00 H new ATOM 0 HA SER A 115 -10.463 -7.825 3.762 1.00 0.00 H new ATOM 0 HB2 SER A 115 -7.986 -6.181 3.085 1.00 0.00 H new ATOM 0 HB3 SER A 115 -8.036 -7.912 3.349 1.00 0.00 H new ATOM 0 HG SER A 115 -8.094 -7.367 1.096 1.00 0.00 H new ATOM 1827 N SER A 116 -9.248 -5.370 5.579 1.00 0.00 N ATOM 1828 CA SER A 116 -8.882 -4.980 6.936 1.00 0.00 C ATOM 1829 C SER A 116 -10.126 -4.747 7.788 1.00 0.00 C ATOM 1830 O SER A 116 -10.221 -3.754 8.508 1.00 0.00 O ATOM 1831 CB SER A 116 -8.023 -3.715 6.911 1.00 0.00 C ATOM 1832 OG SER A 116 -8.768 -2.601 6.449 1.00 0.00 O ATOM 0 H SER A 116 -9.273 -4.600 4.911 1.00 0.00 H new ATOM 0 HA SER A 116 -8.306 -5.793 7.379 1.00 0.00 H new ATOM 0 HB2 SER A 116 -7.641 -3.511 7.911 1.00 0.00 H new ATOM 0 HB3 SER A 116 -7.159 -3.871 6.266 1.00 0.00 H new ATOM 0 HG SER A 116 -9.598 -2.913 6.031 1.00 0.00 H new ATOM 1838 N ASN A 117 -11.077 -5.671 7.701 1.00 0.00 N ATOM 1839 CA ASN A 117 -12.316 -5.567 8.463 1.00 0.00 C ATOM 1840 C ASN A 117 -12.925 -6.945 8.702 1.00 0.00 C ATOM 1841 O ASN A 117 -13.401 -7.596 7.771 1.00 0.00 O ATOM 1842 CB ASN A 117 -13.318 -4.675 7.728 1.00 0.00 C ATOM 1843 CG ASN A 117 -14.438 -4.195 8.632 1.00 0.00 C ATOM 1844 OD1 ASN A 117 -14.361 -3.113 9.213 1.00 0.00 O ATOM 1845 ND2 ASN A 117 -15.485 -5.002 8.756 1.00 0.00 N ATOM 0 H ASN A 117 -11.013 -6.500 7.110 1.00 0.00 H new ATOM 0 HA ASN A 117 -12.082 -5.120 9.429 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -12.796 -3.813 7.312 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -13.743 -5.226 6.889 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -16.268 -4.734 9.352 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -15.506 -5.890 8.255 1.00 0.00 H new ATOM 1852 N LEU A 118 -12.908 -7.384 9.956 1.00 0.00 N ATOM 1853 CA LEU A 118 -13.460 -8.685 10.319 1.00 0.00 C ATOM 1854 C LEU A 118 -14.789 -8.930 9.611 1.00 0.00 C ATOM 1855 O LEU A 118 -15.638 -8.042 9.541 1.00 0.00 O ATOM 1856 CB LEU A 118 -13.651 -8.776 11.834 1.00 0.00 C ATOM 1857 CG LEU A 118 -12.375 -8.928 12.663 1.00 0.00 C ATOM 1858 CD1 LEU A 118 -12.607 -8.455 14.090 1.00 0.00 C ATOM 1859 CD2 LEU A 118 -11.899 -10.373 12.648 1.00 0.00 C ATOM 0 H LEU A 118 -12.518 -6.858 10.738 1.00 0.00 H new ATOM 0 HA LEU A 118 -12.754 -9.453 10.002 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -14.173 -7.880 12.169 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -14.302 -9.623 12.048 1.00 0.00 H new ATOM 0 HG LEU A 118 -11.598 -8.306 12.218 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -11.689 -8.570 14.665 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -12.901 -7.405 14.082 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -13.398 -9.050 14.546 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -10.990 -10.463 13.243 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -12.673 -11.015 13.068 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -11.693 -10.677 11.622 1.00 0.00 H new ATOM 1871 N ASN A 119 -14.962 -10.140 9.091 1.00 0.00 N ATOM 1872 CA ASN A 119 -16.189 -10.502 8.390 1.00 0.00 C ATOM 1873 C ASN A 119 -16.875 -11.684 9.070 1.00 0.00 C ATOM 1874 O ASN A 119 -18.088 -11.674 9.279 1.00 0.00 O ATOM 1875 CB ASN A 119 -15.886 -10.845 6.931 1.00 0.00 C ATOM 1876 CG ASN A 119 -15.326 -9.663 6.163 1.00 0.00 C ATOM 1877 OD1 ASN A 119 -15.866 -8.558 6.223 1.00 0.00 O ATOM 1878 ND2 ASN A 119 -14.238 -9.891 5.437 1.00 0.00 N ATOM 0 H ASN A 119 -14.269 -10.887 9.141 1.00 0.00 H new ATOM 0 HA ASN A 119 -16.862 -9.645 8.422 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -15.173 -11.669 6.895 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -16.798 -11.191 6.445 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -13.816 -9.134 4.899 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -13.824 -10.823 5.417 1.00 0.00 H new ATOM 1885 N SER A 120 -16.090 -12.700 9.413 1.00 0.00 N ATOM 1886 CA SER A 120 -16.621 -13.890 10.066 1.00 0.00 C ATOM 1887 C SER A 120 -15.873 -14.177 11.364 1.00 0.00 C ATOM 1888 O SER A 120 -14.901 -14.931 11.380 1.00 0.00 O ATOM 1889 CB SER A 120 -16.524 -15.097 9.131 1.00 0.00 C ATOM 1890 OG SER A 120 -17.509 -16.066 9.445 1.00 0.00 O ATOM 0 H SER A 120 -15.083 -12.723 9.249 1.00 0.00 H new ATOM 0 HA SER A 120 -17.669 -13.707 10.304 1.00 0.00 H new ATOM 0 HB2 SER A 120 -16.646 -14.771 8.098 1.00 0.00 H new ATOM 0 HB3 SER A 120 -15.533 -15.543 9.210 1.00 0.00 H new ATOM 0 HG SER A 120 -17.427 -16.826 8.832 1.00 0.00 H new ATOM 1896 N GLY A 121 -16.334 -13.569 12.453 1.00 0.00 N ATOM 1897 CA GLY A 121 -15.698 -13.771 13.742 1.00 0.00 C ATOM 1898 C GLY A 121 -16.689 -13.741 14.889 1.00 0.00 C ATOM 1899 O GLY A 121 -17.008 -14.768 15.488 1.00 0.00 O ATOM 0 H GLY A 121 -17.137 -12.940 12.466 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -15.177 -14.729 13.741 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -14.944 -12.999 13.897 1.00 0.00 H new ATOM 1903 N PRO A 122 -17.192 -12.540 15.210 1.00 0.00 N ATOM 1904 CA PRO A 122 -18.159 -12.352 16.296 1.00 0.00 C ATOM 1905 C PRO A 122 -19.524 -12.944 15.966 1.00 0.00 C ATOM 1906 O PRO A 122 -20.273 -13.338 16.859 1.00 0.00 O ATOM 1907 CB PRO A 122 -18.253 -10.830 16.427 1.00 0.00 C ATOM 1908 CG PRO A 122 -17.874 -10.310 15.083 1.00 0.00 C ATOM 1909 CD PRO A 122 -16.856 -11.273 14.539 1.00 0.00 C ATOM 0 HA PRO A 122 -17.846 -12.854 17.212 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -19.260 -10.518 16.703 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -17.581 -10.457 17.200 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -18.743 -10.250 14.428 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -17.460 -9.304 15.156 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -16.926 -11.362 13.455 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -15.839 -10.954 14.768 1.00 0.00 H new ATOM 1917 N SER A 123 -19.841 -13.005 14.676 1.00 0.00 N ATOM 1918 CA SER A 123 -21.119 -13.547 14.228 1.00 0.00 C ATOM 1919 C SER A 123 -22.276 -12.915 14.995 1.00 0.00 C ATOM 1920 O SER A 123 -23.199 -13.605 15.429 1.00 0.00 O ATOM 1921 CB SER A 123 -21.143 -15.066 14.407 1.00 0.00 C ATOM 1922 OG SER A 123 -20.608 -15.722 13.270 1.00 0.00 O ATOM 0 H SER A 123 -19.231 -12.686 13.923 1.00 0.00 H new ATOM 0 HA SER A 123 -21.235 -13.311 13.170 1.00 0.00 H new ATOM 0 HB2 SER A 123 -20.569 -15.340 15.292 1.00 0.00 H new ATOM 0 HB3 SER A 123 -22.167 -15.399 14.575 1.00 0.00 H new ATOM 0 HG SER A 123 -20.633 -16.692 13.410 1.00 0.00 H new ATOM 1928 N SER A 124 -22.220 -11.597 15.159 1.00 0.00 N ATOM 1929 CA SER A 124 -23.260 -10.870 15.877 1.00 0.00 C ATOM 1930 C SER A 124 -24.263 -10.255 14.905 1.00 0.00 C ATOM 1931 O SER A 124 -23.893 -9.486 14.018 1.00 0.00 O ATOM 1932 CB SER A 124 -22.640 -9.777 16.748 1.00 0.00 C ATOM 1933 OG SER A 124 -23.635 -8.912 17.267 1.00 0.00 O ATOM 0 H SER A 124 -21.465 -11.011 14.804 1.00 0.00 H new ATOM 0 HA SER A 124 -23.788 -11.578 16.517 1.00 0.00 H new ATOM 0 HB2 SER A 124 -22.086 -10.232 17.569 1.00 0.00 H new ATOM 0 HB3 SER A 124 -21.924 -9.202 16.161 1.00 0.00 H new ATOM 0 HG SER A 124 -23.213 -8.223 17.822 1.00 0.00 H new ATOM 1939 N GLY A 125 -25.535 -10.599 15.079 1.00 0.00 N ATOM 1940 CA GLY A 125 -26.572 -10.072 14.211 1.00 0.00 C ATOM 1941 C GLY A 125 -27.309 -11.163 13.461 1.00 0.00 C ATOM 1942 O GLY A 125 -28.457 -10.980 13.056 1.00 0.00 O ATOM 0 H GLY A 125 -25.866 -11.233 15.806 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -27.284 -9.500 14.806 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -26.126 -9.381 13.496 1.00 0.00 H new TER 1946 GLY A 125