USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 924 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 80 CYS SG : rot 77:sc= 0.154 USER MOD Set 1.2: A 95 CYS SG : rot -150:sc= 0.17 USER MOD Set 2.1: A 83 GLN : amide:sc= -9.03! C(o=-9.4!,f=-15!) USER MOD Set 2.2: A 93 SER OG : rot 167:sc= -0.347 USER MOD Set 3.1: A 54 MET CE :methyl -143:sc= -7.55! (180deg=-9.41!) USER MOD Set 3.2: A 58 CYS SG : rot 63:sc= -0.43 USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.0421 (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 34:sc= 0.691 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 40:sc= 0.0142 USER MOD Single : A 17 GLN : amide:sc= 0.00209 X(o=0.0021,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.344) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -5.12 K(o=-5.1,f=-9.4!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 30:sc= -0.188 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -3.12! C(o=-3.1!,f=-5.1!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0121 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -5.42! C(o=-5.4!,f=-7!) USER MOD Single : A 60 ASN : amide:sc= -0.0838 X(o=-0.084,f=-0.095) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HE2:sc= 0.291 K(o=0.29,f=-2.6!) USER MOD Single : A 67 CYS SG : rot 180:sc= -4.01 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 CYS SG : rot -92:sc= -0.0793 USER MOD Single : A 90 LYS NZ :NH3+ 155:sc= -0.0502 (180deg=-0.962) USER MOD Single : A 91 THR OG1 : rot -170:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0.0216 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 CYS SG : rot -179:sc= -0.471 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 95:sc= 1.25 USER MOD Single : A 110 GLN :FLIP amide:sc= -0.0139 F(o=-2.9!,f=-0.014) USER MOD Single : A 112 SER OG : rot -58:sc= 0.45 USER MOD Single : A 114 THR OG1 : rot -84:sc= 0.852 USER MOD Single : A 115 SER OG : rot 92:sc= 0.0261 USER MOD Single : A 118 SER OG : rot 12:sc= 0.154 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -29.981 -2.911 -5.834 1.00 0.00 N ATOM 2 CA GLY A 1 -30.344 -4.288 -6.115 1.00 0.00 C ATOM 3 C GLY A 1 -29.350 -5.278 -5.541 1.00 0.00 C ATOM 4 O GLY A 1 -28.184 -4.944 -5.326 1.00 0.00 O ATOM 0 H1 GLY A 1 -30.661 -2.503 -5.161 1.00 0.00 H new ATOM 0 H2 GLY A 1 -29.026 -2.881 -5.423 1.00 0.00 H new ATOM 0 H3 GLY A 1 -29.996 -2.361 -6.717 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -31.333 -4.491 -5.704 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -30.412 -4.430 -7.194 1.00 0.00 H new ATOM 8 N SER A 2 -29.810 -6.499 -5.290 1.00 0.00 N ATOM 9 CA SER A 2 -28.954 -7.540 -4.732 1.00 0.00 C ATOM 10 C SER A 2 -27.678 -7.692 -5.555 1.00 0.00 C ATOM 11 O SER A 2 -26.581 -7.799 -5.006 1.00 0.00 O ATOM 12 CB SER A 2 -29.703 -8.873 -4.680 1.00 0.00 C ATOM 13 OG SER A 2 -28.847 -9.923 -4.265 1.00 0.00 O ATOM 0 H SER A 2 -30.771 -6.792 -5.464 1.00 0.00 H new ATOM 0 HA SER A 2 -28.680 -7.246 -3.719 1.00 0.00 H new ATOM 0 HB2 SER A 2 -30.546 -8.794 -3.993 1.00 0.00 H new ATOM 0 HB3 SER A 2 -30.114 -9.102 -5.663 1.00 0.00 H new ATOM 0 HG SER A 2 -29.350 -10.764 -4.238 1.00 0.00 H new ATOM 19 N SER A 3 -27.830 -7.701 -6.875 1.00 0.00 N ATOM 20 CA SER A 3 -26.692 -7.844 -7.775 1.00 0.00 C ATOM 21 C SER A 3 -25.834 -6.583 -7.771 1.00 0.00 C ATOM 22 O SER A 3 -26.346 -5.470 -7.650 1.00 0.00 O ATOM 23 CB SER A 3 -27.172 -8.142 -9.197 1.00 0.00 C ATOM 24 OG SER A 3 -26.093 -8.122 -10.115 1.00 0.00 O ATOM 0 H SER A 3 -28.731 -7.611 -7.345 1.00 0.00 H new ATOM 0 HA SER A 3 -26.085 -8.678 -7.422 1.00 0.00 H new ATOM 0 HB2 SER A 3 -27.658 -9.118 -9.223 1.00 0.00 H new ATOM 0 HB3 SER A 3 -27.919 -7.406 -9.493 1.00 0.00 H new ATOM 0 HG SER A 3 -26.426 -8.317 -11.016 1.00 0.00 H new ATOM 30 N GLY A 4 -24.523 -6.765 -7.902 1.00 0.00 N ATOM 31 CA GLY A 4 -23.614 -5.634 -7.911 1.00 0.00 C ATOM 32 C GLY A 4 -22.164 -6.055 -7.773 1.00 0.00 C ATOM 33 O GLY A 4 -21.782 -6.677 -6.782 1.00 0.00 O ATOM 0 H GLY A 4 -24.075 -7.676 -8.002 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.741 -5.077 -8.839 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -23.872 -4.958 -7.096 1.00 0.00 H new ATOM 37 N SER A 5 -21.354 -5.716 -8.771 1.00 0.00 N ATOM 38 CA SER A 5 -19.939 -6.068 -8.760 1.00 0.00 C ATOM 39 C SER A 5 -19.102 -4.932 -8.180 1.00 0.00 C ATOM 40 O SER A 5 -18.886 -3.910 -8.830 1.00 0.00 O ATOM 41 CB SER A 5 -19.462 -6.395 -10.177 1.00 0.00 C ATOM 42 OG SER A 5 -18.238 -7.110 -10.150 1.00 0.00 O ATOM 0 H SER A 5 -21.653 -5.198 -9.597 1.00 0.00 H new ATOM 0 HA SER A 5 -19.814 -6.948 -8.130 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.220 -6.985 -10.692 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.336 -5.473 -10.744 1.00 0.00 H new ATOM 0 HG SER A 5 -17.955 -7.309 -11.067 1.00 0.00 H new ATOM 48 N SER A 6 -18.633 -5.120 -6.950 1.00 0.00 N ATOM 49 CA SER A 6 -17.822 -4.111 -6.278 1.00 0.00 C ATOM 50 C SER A 6 -16.424 -4.046 -6.884 1.00 0.00 C ATOM 51 O SER A 6 -15.578 -4.898 -6.614 1.00 0.00 O ATOM 52 CB SER A 6 -17.729 -4.415 -4.782 1.00 0.00 C ATOM 53 OG SER A 6 -17.175 -5.700 -4.556 1.00 0.00 O ATOM 0 H SER A 6 -18.801 -5.962 -6.399 1.00 0.00 H new ATOM 0 HA SER A 6 -18.303 -3.143 -6.415 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.115 -3.660 -4.292 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.721 -4.359 -4.334 1.00 0.00 H new ATOM 0 HG SER A 6 -16.508 -5.895 -5.247 1.00 0.00 H new ATOM 59 N GLY A 7 -16.188 -3.028 -7.707 1.00 0.00 N ATOM 60 CA GLY A 7 -14.892 -2.870 -8.339 1.00 0.00 C ATOM 61 C GLY A 7 -13.913 -2.104 -7.471 1.00 0.00 C ATOM 62 O GLY A 7 -14.316 -1.320 -6.611 1.00 0.00 O ATOM 0 H GLY A 7 -16.872 -2.310 -7.947 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.480 -3.853 -8.566 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.015 -2.349 -9.289 1.00 0.00 H new ATOM 66 N PHE A 8 -12.623 -2.332 -7.694 1.00 0.00 N ATOM 67 CA PHE A 8 -11.583 -1.660 -6.923 1.00 0.00 C ATOM 68 C PHE A 8 -11.114 -0.393 -7.632 1.00 0.00 C ATOM 69 O PHE A 8 -10.927 -0.381 -8.848 1.00 0.00 O ATOM 70 CB PHE A 8 -10.397 -2.600 -6.698 1.00 0.00 C ATOM 71 CG PHE A 8 -10.796 -3.961 -6.204 1.00 0.00 C ATOM 72 CD1 PHE A 8 -11.671 -4.097 -5.138 1.00 0.00 C ATOM 73 CD2 PHE A 8 -10.298 -5.105 -6.806 1.00 0.00 C ATOM 74 CE1 PHE A 8 -12.039 -5.348 -4.681 1.00 0.00 C ATOM 75 CE2 PHE A 8 -10.663 -6.359 -6.354 1.00 0.00 C ATOM 76 CZ PHE A 8 -11.536 -6.481 -5.290 1.00 0.00 C ATOM 0 H PHE A 8 -12.273 -2.977 -8.402 1.00 0.00 H new ATOM 0 HA PHE A 8 -12.005 -1.381 -5.957 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -9.847 -2.708 -7.633 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -9.716 -2.146 -5.978 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -12.070 -3.215 -4.659 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -9.616 -5.016 -7.639 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -12.720 -5.440 -3.848 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -10.266 -7.243 -6.832 1.00 0.00 H new ATOM 0 HZ PHE A 8 -11.824 -7.460 -4.936 1.00 0.00 H new ATOM 86 N VAL A 9 -10.927 0.674 -6.861 1.00 0.00 N ATOM 87 CA VAL A 9 -10.480 1.947 -7.413 1.00 0.00 C ATOM 88 C VAL A 9 -9.205 1.774 -8.231 1.00 0.00 C ATOM 89 O VAL A 9 -9.178 2.060 -9.428 1.00 0.00 O ATOM 90 CB VAL A 9 -10.228 2.984 -6.302 1.00 0.00 C ATOM 91 CG1 VAL A 9 -10.026 4.368 -6.899 1.00 0.00 C ATOM 92 CG2 VAL A 9 -11.377 2.986 -5.306 1.00 0.00 C ATOM 0 H VAL A 9 -11.078 0.682 -5.852 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.278 2.308 -8.062 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.317 2.708 -5.771 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.849 5.087 -6.099 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.167 4.353 -7.570 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.917 4.657 -7.457 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.183 3.724 -4.528 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -12.304 3.237 -5.821 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.469 1.998 -4.854 1.00 0.00 H new ATOM 102 N LYS A 10 -8.149 1.304 -7.576 1.00 0.00 N ATOM 103 CA LYS A 10 -6.869 1.090 -8.241 1.00 0.00 C ATOM 104 C LYS A 10 -6.216 -0.203 -7.763 1.00 0.00 C ATOM 105 O LYS A 10 -6.336 -0.574 -6.596 1.00 0.00 O ATOM 106 CB LYS A 10 -5.932 2.273 -7.982 1.00 0.00 C ATOM 107 CG LYS A 10 -4.499 2.019 -8.415 1.00 0.00 C ATOM 108 CD LYS A 10 -3.610 3.218 -8.130 1.00 0.00 C ATOM 109 CE LYS A 10 -2.151 2.915 -8.435 1.00 0.00 C ATOM 110 NZ LYS A 10 -1.885 2.885 -9.900 1.00 0.00 N ATOM 0 H LYS A 10 -8.154 1.064 -6.585 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.054 1.008 -9.312 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.312 3.149 -8.508 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.945 2.510 -6.918 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.110 1.144 -7.894 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.475 1.792 -9.481 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.939 4.067 -8.729 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.712 3.507 -7.084 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.518 3.669 -7.966 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.880 1.954 -7.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.880 2.675 -10.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.470 2.149 -10.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.119 3.810 -10.314 1.00 0.00 H new ATOM 124 N SER A 11 -5.526 -0.883 -8.672 1.00 0.00 N ATOM 125 CA SER A 11 -4.856 -2.136 -8.343 1.00 0.00 C ATOM 126 C SER A 11 -3.474 -2.199 -8.986 1.00 0.00 C ATOM 127 O SER A 11 -3.318 -1.933 -10.177 1.00 0.00 O ATOM 128 CB SER A 11 -5.700 -3.326 -8.804 1.00 0.00 C ATOM 129 OG SER A 11 -6.140 -3.152 -10.140 1.00 0.00 O ATOM 0 H SER A 11 -5.416 -0.588 -9.642 1.00 0.00 H new ATOM 0 HA SER A 11 -4.736 -2.182 -7.261 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.115 -4.242 -8.727 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.561 -3.442 -8.146 1.00 0.00 H new ATOM 0 HG SER A 11 -5.421 -2.752 -10.672 1.00 0.00 H new ATOM 135 N GLY A 12 -2.472 -2.552 -8.186 1.00 0.00 N ATOM 136 CA GLY A 12 -1.115 -2.643 -8.694 1.00 0.00 C ATOM 137 C GLY A 12 -0.209 -3.450 -7.785 1.00 0.00 C ATOM 138 O GLY A 12 -0.565 -3.742 -6.643 1.00 0.00 O ATOM 0 H GLY A 12 -2.575 -2.776 -7.196 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.131 -3.099 -9.684 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.706 -1.639 -8.812 1.00 0.00 H new ATOM 142 N TRP A 13 0.963 -3.814 -8.292 1.00 0.00 N ATOM 143 CA TRP A 13 1.922 -4.595 -7.518 1.00 0.00 C ATOM 144 C TRP A 13 2.761 -3.691 -6.622 1.00 0.00 C ATOM 145 O TRP A 13 3.374 -2.731 -7.091 1.00 0.00 O ATOM 146 CB TRP A 13 2.831 -5.395 -8.452 1.00 0.00 C ATOM 147 CG TRP A 13 2.189 -6.641 -8.982 1.00 0.00 C ATOM 148 CD1 TRP A 13 1.671 -6.828 -10.232 1.00 0.00 C ATOM 149 CD2 TRP A 13 1.994 -7.872 -8.277 1.00 0.00 C ATOM 150 NE1 TRP A 13 1.167 -8.101 -10.346 1.00 0.00 N ATOM 151 CE2 TRP A 13 1.354 -8.762 -9.161 1.00 0.00 C ATOM 152 CE3 TRP A 13 2.301 -8.309 -6.986 1.00 0.00 C ATOM 153 CZ2 TRP A 13 1.014 -10.061 -8.793 1.00 0.00 C ATOM 154 CZ3 TRP A 13 1.964 -9.599 -6.622 1.00 0.00 C ATOM 155 CH2 TRP A 13 1.327 -10.463 -7.523 1.00 0.00 C ATOM 0 H TRP A 13 1.273 -3.581 -9.236 1.00 0.00 H new ATOM 0 HA TRP A 13 1.365 -5.286 -6.886 1.00 0.00 H new ATOM 0 HB2 TRP A 13 3.126 -4.763 -9.289 1.00 0.00 H new ATOM 0 HB3 TRP A 13 3.743 -5.663 -7.918 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.659 -6.085 -11.015 1.00 0.00 H new ATOM 0 HE1 TRP A 13 0.725 -8.491 -11.179 1.00 0.00 H new ATOM 0 HE3 TRP A 13 2.793 -7.651 -6.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 0.521 -10.728 -9.485 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.196 -9.947 -5.626 1.00 0.00 H new ATOM 0 HH2 TRP A 13 1.078 -11.466 -7.209 1.00 0.00 H new ATOM 166 N LEU A 14 2.786 -4.004 -5.331 1.00 0.00 N ATOM 167 CA LEU A 14 3.552 -3.220 -4.368 1.00 0.00 C ATOM 168 C LEU A 14 4.256 -4.127 -3.365 1.00 0.00 C ATOM 169 O LEU A 14 3.727 -5.169 -2.975 1.00 0.00 O ATOM 170 CB LEU A 14 2.634 -2.242 -3.632 1.00 0.00 C ATOM 171 CG LEU A 14 1.817 -1.295 -4.513 1.00 0.00 C ATOM 172 CD1 LEU A 14 0.653 -0.709 -3.730 1.00 0.00 C ATOM 173 CD2 LEU A 14 2.701 -0.188 -5.068 1.00 0.00 C ATOM 0 H LEU A 14 2.285 -4.795 -4.927 1.00 0.00 H new ATOM 0 HA LEU A 14 4.309 -2.657 -4.915 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.944 -2.817 -3.014 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.243 -1.642 -2.956 1.00 0.00 H new ATOM 0 HG LEU A 14 1.414 -1.865 -5.350 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.083 -0.038 -4.373 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.006 -1.514 -3.382 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.034 -0.154 -2.873 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.103 0.476 -5.692 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.133 0.380 -4.244 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.500 -0.626 -5.666 1.00 0.00 H new ATOM 185 N LEU A 15 5.451 -3.723 -2.948 1.00 0.00 N ATOM 186 CA LEU A 15 6.228 -4.498 -1.987 1.00 0.00 C ATOM 187 C LEU A 15 5.972 -4.015 -0.563 1.00 0.00 C ATOM 188 O LEU A 15 6.184 -2.844 -0.247 1.00 0.00 O ATOM 189 CB LEU A 15 7.720 -4.400 -2.310 1.00 0.00 C ATOM 190 CG LEU A 15 8.113 -4.687 -3.760 1.00 0.00 C ATOM 191 CD1 LEU A 15 9.395 -3.953 -4.120 1.00 0.00 C ATOM 192 CD2 LEU A 15 8.272 -6.184 -3.983 1.00 0.00 C ATOM 0 H LEU A 15 5.903 -2.863 -3.260 1.00 0.00 H new ATOM 0 HA LEU A 15 5.914 -5.539 -2.060 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.062 -3.397 -2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.257 -5.095 -1.665 1.00 0.00 H new ATOM 0 HG LEU A 15 7.317 -4.326 -4.411 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.659 -4.169 -5.155 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.246 -2.880 -4.000 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.200 -4.283 -3.463 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.552 -6.370 -5.020 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.049 -6.570 -3.323 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.329 -6.686 -3.766 1.00 0.00 H new ATOM 204 N ARG A 16 5.517 -4.925 0.292 1.00 0.00 N ATOM 205 CA ARG A 16 5.233 -4.591 1.683 1.00 0.00 C ATOM 206 C ARG A 16 6.237 -5.259 2.618 1.00 0.00 C ATOM 207 O ARG A 16 6.422 -6.474 2.578 1.00 0.00 O ATOM 208 CB ARG A 16 3.812 -5.021 2.053 1.00 0.00 C ATOM 209 CG ARG A 16 3.445 -4.730 3.499 1.00 0.00 C ATOM 210 CD ARG A 16 2.070 -5.280 3.846 1.00 0.00 C ATOM 211 NE ARG A 16 1.981 -6.719 3.614 1.00 0.00 N ATOM 212 CZ ARG A 16 1.683 -7.257 2.436 1.00 0.00 C ATOM 213 NH1 ARG A 16 1.446 -6.479 1.389 1.00 0.00 N ATOM 214 NH2 ARG A 16 1.621 -8.576 2.304 1.00 0.00 N ATOM 0 H ARG A 16 5.337 -5.899 0.046 1.00 0.00 H new ATOM 0 HA ARG A 16 5.320 -3.510 1.796 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.105 -4.512 1.398 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.705 -6.090 1.868 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.192 -5.169 4.161 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.461 -3.654 3.670 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.848 -5.067 4.892 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.314 -4.769 3.249 1.00 0.00 H new ATOM 0 HE ARG A 16 2.157 -7.346 4.399 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.492 -5.465 1.486 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.218 -6.895 0.486 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.802 -9.178 3.107 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.392 -8.988 1.399 1.00 0.00 H new ATOM 228 N GLN A 17 6.882 -4.454 3.457 1.00 0.00 N ATOM 229 CA GLN A 17 7.868 -4.967 4.401 1.00 0.00 C ATOM 230 C GLN A 17 7.196 -5.787 5.497 1.00 0.00 C ATOM 231 O GLN A 17 6.455 -5.252 6.321 1.00 0.00 O ATOM 232 CB GLN A 17 8.659 -3.815 5.021 1.00 0.00 C ATOM 233 CG GLN A 17 9.975 -4.247 5.647 1.00 0.00 C ATOM 234 CD GLN A 17 10.711 -3.100 6.311 1.00 0.00 C ATOM 235 OE1 GLN A 17 10.713 -2.975 7.536 1.00 0.00 O ATOM 236 NE2 GLN A 17 11.341 -2.255 5.504 1.00 0.00 N ATOM 0 H GLN A 17 6.739 -3.445 3.502 1.00 0.00 H new ATOM 0 HA GLN A 17 8.553 -5.616 3.856 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.860 -3.068 4.253 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.046 -3.332 5.782 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.783 -5.026 6.385 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.612 -4.686 4.879 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.313 -2.397 4.494 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.853 -1.464 5.894 1.00 0.00 H new ATOM 245 N SER A 18 7.460 -7.090 5.501 1.00 0.00 N ATOM 246 CA SER A 18 6.878 -7.985 6.494 1.00 0.00 C ATOM 247 C SER A 18 7.758 -8.062 7.738 1.00 0.00 C ATOM 248 O SER A 18 8.974 -8.228 7.645 1.00 0.00 O ATOM 249 CB SER A 18 6.689 -9.384 5.903 1.00 0.00 C ATOM 250 OG SER A 18 5.708 -10.112 6.620 1.00 0.00 O ATOM 0 H SER A 18 8.073 -7.549 4.828 1.00 0.00 H new ATOM 0 HA SER A 18 5.906 -7.585 6.781 1.00 0.00 H new ATOM 0 HB2 SER A 18 6.394 -9.303 4.857 1.00 0.00 H new ATOM 0 HB3 SER A 18 7.636 -9.923 5.927 1.00 0.00 H new ATOM 0 HG SER A 18 5.605 -11.001 6.222 1.00 0.00 H new ATOM 256 N THR A 19 7.133 -7.939 8.905 1.00 0.00 N ATOM 257 CA THR A 19 7.857 -7.993 10.169 1.00 0.00 C ATOM 258 C THR A 19 8.312 -9.413 10.482 1.00 0.00 C ATOM 259 O THR A 19 9.226 -9.620 11.282 1.00 0.00 O ATOM 260 CB THR A 19 6.992 -7.475 11.334 1.00 0.00 C ATOM 261 OG1 THR A 19 7.761 -7.450 12.542 1.00 0.00 O ATOM 262 CG2 THR A 19 5.763 -8.351 11.527 1.00 0.00 C ATOM 0 H THR A 19 6.127 -7.801 9.001 1.00 0.00 H new ATOM 0 HA THR A 19 8.731 -7.350 10.060 1.00 0.00 H new ATOM 0 HB THR A 19 6.664 -6.464 11.092 1.00 0.00 H new ATOM 0 HG1 THR A 19 7.204 -7.118 13.277 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.168 -7.966 12.355 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.165 -8.344 10.616 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.075 -9.372 11.749 1.00 0.00 H new ATOM 270 N ILE A 20 7.671 -10.389 9.847 1.00 0.00 N ATOM 271 CA ILE A 20 8.013 -11.790 10.057 1.00 0.00 C ATOM 272 C ILE A 20 9.143 -12.225 9.130 1.00 0.00 C ATOM 273 O ILE A 20 10.052 -12.949 9.538 1.00 0.00 O ATOM 274 CB ILE A 20 6.796 -12.706 9.829 1.00 0.00 C ATOM 275 CG1 ILE A 20 5.741 -12.467 10.911 1.00 0.00 C ATOM 276 CG2 ILE A 20 7.227 -14.165 9.815 1.00 0.00 C ATOM 277 CD1 ILE A 20 4.736 -11.396 10.549 1.00 0.00 C ATOM 0 H ILE A 20 6.912 -10.235 9.183 1.00 0.00 H new ATOM 0 HA ILE A 20 8.340 -11.884 11.093 1.00 0.00 H new ATOM 0 HB ILE A 20 6.356 -12.468 8.860 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.212 -13.400 11.103 1.00 0.00 H new ATOM 0 HG13 ILE A 20 6.240 -12.187 11.838 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.356 -14.800 9.653 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.947 -14.324 9.012 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.688 -14.418 10.770 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.019 -11.280 11.362 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.254 -10.451 10.385 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.210 -11.684 9.639 1.00 0.00 H new ATOM 289 N LEU A 21 9.081 -11.777 7.881 1.00 0.00 N ATOM 290 CA LEU A 21 10.101 -12.119 6.895 1.00 0.00 C ATOM 291 C LEU A 21 11.183 -11.045 6.836 1.00 0.00 C ATOM 292 O LEU A 21 12.200 -11.209 6.162 1.00 0.00 O ATOM 293 CB LEU A 21 9.465 -12.294 5.514 1.00 0.00 C ATOM 294 CG LEU A 21 8.797 -13.644 5.250 1.00 0.00 C ATOM 295 CD1 LEU A 21 7.658 -13.490 4.255 1.00 0.00 C ATOM 296 CD2 LEU A 21 9.817 -14.654 4.744 1.00 0.00 C ATOM 0 H LEU A 21 8.336 -11.177 7.527 1.00 0.00 H new ATOM 0 HA LEU A 21 10.563 -13.059 7.198 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.721 -11.510 5.377 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.235 -12.138 4.759 1.00 0.00 H new ATOM 0 HG LEU A 21 8.385 -14.014 6.189 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.195 -14.461 4.079 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.915 -12.801 4.656 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.047 -13.098 3.315 1.00 0.00 H new ATOM 0 HD21 LEU A 21 9.324 -15.609 4.561 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.259 -14.291 3.816 1.00 0.00 H new ATOM 0 HD23 LEU A 21 10.599 -14.787 5.491 1.00 0.00 H new ATOM 308 N LYS A 22 10.958 -9.946 7.548 1.00 0.00 N ATOM 309 CA LYS A 22 11.913 -8.845 7.581 1.00 0.00 C ATOM 310 C LYS A 22 12.528 -8.617 6.204 1.00 0.00 C ATOM 311 O LYS A 22 13.749 -8.589 6.055 1.00 0.00 O ATOM 312 CB LYS A 22 13.017 -9.132 8.602 1.00 0.00 C ATOM 313 CG LYS A 22 12.592 -8.892 10.040 1.00 0.00 C ATOM 314 CD LYS A 22 12.422 -7.410 10.332 1.00 0.00 C ATOM 315 CE LYS A 22 12.136 -7.161 11.805 1.00 0.00 C ATOM 316 NZ LYS A 22 13.368 -7.268 12.634 1.00 0.00 N ATOM 0 H LYS A 22 10.121 -9.794 8.111 1.00 0.00 H new ATOM 0 HA LYS A 22 11.379 -7.942 7.875 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.339 -10.168 8.495 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.880 -8.505 8.377 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.654 -9.412 10.235 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.336 -9.314 10.715 1.00 0.00 H new ATOM 0 HD2 LYS A 22 13.326 -6.875 10.040 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.606 -7.011 9.729 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.700 -6.169 11.928 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.397 -7.880 12.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.132 -7.092 13.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.770 -8.222 12.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.064 -6.565 12.314 1.00 0.00 H new ATOM 330 N ARG A 23 11.673 -8.453 5.199 1.00 0.00 N ATOM 331 CA ARG A 23 12.132 -8.226 3.834 1.00 0.00 C ATOM 332 C ARG A 23 10.968 -7.838 2.927 1.00 0.00 C ATOM 333 O ARG A 23 9.836 -8.275 3.131 1.00 0.00 O ATOM 334 CB ARG A 23 12.820 -9.480 3.291 1.00 0.00 C ATOM 335 CG ARG A 23 11.852 -10.525 2.760 1.00 0.00 C ATOM 336 CD ARG A 23 12.552 -11.848 2.495 1.00 0.00 C ATOM 337 NE ARG A 23 12.734 -12.626 3.717 1.00 0.00 N ATOM 338 CZ ARG A 23 13.647 -13.582 3.851 1.00 0.00 C ATOM 339 NH1 ARG A 23 14.455 -13.877 2.842 1.00 0.00 N ATOM 340 NH2 ARG A 23 13.752 -14.245 4.995 1.00 0.00 N ATOM 0 H ARG A 23 10.659 -8.473 5.305 1.00 0.00 H new ATOM 0 HA ARG A 23 12.848 -7.404 3.849 1.00 0.00 H new ATOM 0 HB2 ARG A 23 13.504 -9.192 2.493 1.00 0.00 H new ATOM 0 HB3 ARG A 23 13.423 -9.925 4.083 1.00 0.00 H new ATOM 0 HG2 ARG A 23 11.047 -10.676 3.479 1.00 0.00 H new ATOM 0 HG3 ARG A 23 11.394 -10.164 1.839 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.970 -12.429 1.779 1.00 0.00 H new ATOM 0 HD3 ARG A 23 13.523 -11.659 2.038 1.00 0.00 H new ATOM 0 HE ARG A 23 12.127 -12.425 4.512 1.00 0.00 H new ATOM 0 HH11 ARG A 23 14.376 -13.370 1.961 1.00 0.00 H new ATOM 0 HH12 ARG A 23 15.155 -14.611 2.947 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.131 -14.021 5.773 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.453 -14.979 5.097 1.00 0.00 H new ATOM 354 N TRP A 24 11.255 -7.014 1.926 1.00 0.00 N ATOM 355 CA TRP A 24 10.233 -6.566 0.987 1.00 0.00 C ATOM 356 C TRP A 24 9.726 -7.727 0.139 1.00 0.00 C ATOM 357 O TRP A 24 10.500 -8.385 -0.557 1.00 0.00 O ATOM 358 CB TRP A 24 10.787 -5.463 0.085 1.00 0.00 C ATOM 359 CG TRP A 24 11.174 -4.223 0.832 1.00 0.00 C ATOM 360 CD1 TRP A 24 12.360 -3.984 1.466 1.00 0.00 C ATOM 361 CD2 TRP A 24 10.371 -3.053 1.025 1.00 0.00 C ATOM 362 NE1 TRP A 24 12.343 -2.736 2.041 1.00 0.00 N ATOM 363 CE2 TRP A 24 11.134 -2.144 1.784 1.00 0.00 C ATOM 364 CE3 TRP A 24 9.083 -2.684 0.628 1.00 0.00 C ATOM 365 CZ2 TRP A 24 10.649 -0.893 2.154 1.00 0.00 C ATOM 366 CZ3 TRP A 24 8.603 -1.441 0.997 1.00 0.00 C ATOM 367 CH2 TRP A 24 9.385 -0.558 1.752 1.00 0.00 C ATOM 0 H TRP A 24 12.187 -6.642 1.744 1.00 0.00 H new ATOM 0 HA TRP A 24 9.397 -6.169 1.562 1.00 0.00 H new ATOM 0 HB2 TRP A 24 11.658 -5.843 -0.449 1.00 0.00 H new ATOM 0 HB3 TRP A 24 10.039 -5.208 -0.666 1.00 0.00 H new ATOM 0 HD1 TRP A 24 13.189 -4.674 1.509 1.00 0.00 H new ATOM 0 HE1 TRP A 24 13.106 -2.318 2.573 1.00 0.00 H new ATOM 0 HE3 TRP A 24 8.474 -3.357 0.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 11.249 -0.211 2.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 7.608 -1.146 0.698 1.00 0.00 H new ATOM 0 HH2 TRP A 24 8.982 0.407 2.022 1.00 0.00 H new ATOM 378 N LYS A 25 8.422 -7.975 0.200 1.00 0.00 N ATOM 379 CA LYS A 25 7.812 -9.056 -0.564 1.00 0.00 C ATOM 380 C LYS A 25 6.714 -8.523 -1.479 1.00 0.00 C ATOM 381 O LYS A 25 5.845 -7.766 -1.048 1.00 0.00 O ATOM 382 CB LYS A 25 7.234 -10.113 0.381 1.00 0.00 C ATOM 383 CG LYS A 25 5.802 -9.834 0.802 1.00 0.00 C ATOM 384 CD LYS A 25 5.285 -10.896 1.759 1.00 0.00 C ATOM 385 CE LYS A 25 4.984 -12.199 1.035 1.00 0.00 C ATOM 386 NZ LYS A 25 5.126 -13.378 1.933 1.00 0.00 N ATOM 0 H LYS A 25 7.767 -7.441 0.771 1.00 0.00 H new ATOM 0 HA LYS A 25 8.586 -9.513 -1.181 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.277 -11.087 -0.107 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.860 -10.174 1.271 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.746 -8.855 1.278 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.163 -9.796 -0.080 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.024 -11.075 2.540 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.382 -10.535 2.251 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.970 -12.167 0.636 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.658 -12.306 0.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.619 -14.189 1.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.133 -13.616 2.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.726 -13.154 2.866 1.00 0.00 H new ATOM 400 N LYS A 26 6.759 -8.925 -2.745 1.00 0.00 N ATOM 401 CA LYS A 26 5.767 -8.490 -3.722 1.00 0.00 C ATOM 402 C LYS A 26 4.362 -8.892 -3.285 1.00 0.00 C ATOM 403 O LYS A 26 4.129 -10.030 -2.880 1.00 0.00 O ATOM 404 CB LYS A 26 6.077 -9.090 -5.095 1.00 0.00 C ATOM 405 CG LYS A 26 5.622 -8.221 -6.255 1.00 0.00 C ATOM 406 CD LYS A 26 6.499 -8.422 -7.479 1.00 0.00 C ATOM 407 CE LYS A 26 5.974 -9.542 -8.364 1.00 0.00 C ATOM 408 NZ LYS A 26 6.890 -9.825 -9.503 1.00 0.00 N ATOM 0 H LYS A 26 7.472 -9.551 -3.119 1.00 0.00 H new ATOM 0 HA LYS A 26 5.811 -7.403 -3.789 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.151 -9.256 -5.176 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.597 -10.066 -5.173 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.588 -8.458 -6.504 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.646 -7.173 -5.957 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.544 -7.496 -8.051 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.517 -8.652 -7.165 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.846 -10.446 -7.768 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.990 -9.271 -8.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.497 -10.594 -10.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.993 -8.970 -10.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.821 -10.109 -9.137 1.00 0.00 H new ATOM 422 N ASN A 27 3.428 -7.949 -3.373 1.00 0.00 N ATOM 423 CA ASN A 27 2.045 -8.206 -2.987 1.00 0.00 C ATOM 424 C ASN A 27 1.078 -7.504 -3.936 1.00 0.00 C ATOM 425 O ASN A 27 1.488 -6.709 -4.780 1.00 0.00 O ATOM 426 CB ASN A 27 1.799 -7.738 -1.552 1.00 0.00 C ATOM 427 CG ASN A 27 2.633 -8.504 -0.543 1.00 0.00 C ATOM 428 OD1 ASN A 27 3.332 -7.911 0.279 1.00 0.00 O ATOM 429 ND2 ASN A 27 2.563 -9.829 -0.602 1.00 0.00 N ATOM 0 H ASN A 27 3.604 -7.002 -3.708 1.00 0.00 H new ATOM 0 HA ASN A 27 1.870 -9.280 -3.046 1.00 0.00 H new ATOM 0 HB2 ASN A 27 2.027 -6.675 -1.475 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.743 -7.856 -1.310 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.102 -10.398 0.051 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.970 -10.278 -1.300 1.00 0.00 H new ATOM 436 N TRP A 28 -0.208 -7.805 -3.789 1.00 0.00 N ATOM 437 CA TRP A 28 -1.234 -7.203 -4.632 1.00 0.00 C ATOM 438 C TRP A 28 -2.194 -6.358 -3.802 1.00 0.00 C ATOM 439 O TRP A 28 -2.933 -6.881 -2.967 1.00 0.00 O ATOM 440 CB TRP A 28 -2.008 -8.288 -5.382 1.00 0.00 C ATOM 441 CG TRP A 28 -2.878 -7.748 -6.477 1.00 0.00 C ATOM 442 CD1 TRP A 28 -4.233 -7.876 -6.586 1.00 0.00 C ATOM 443 CD2 TRP A 28 -2.451 -6.998 -7.619 1.00 0.00 C ATOM 444 NE1 TRP A 28 -4.674 -7.249 -7.726 1.00 0.00 N ATOM 445 CE2 TRP A 28 -3.600 -6.702 -8.377 1.00 0.00 C ATOM 446 CE3 TRP A 28 -1.209 -6.544 -8.074 1.00 0.00 C ATOM 447 CZ2 TRP A 28 -3.543 -5.976 -9.564 1.00 0.00 C ATOM 448 CZ3 TRP A 28 -1.154 -5.824 -9.252 1.00 0.00 C ATOM 449 CH2 TRP A 28 -2.315 -5.545 -9.986 1.00 0.00 C ATOM 0 H TRP A 28 -0.564 -8.462 -3.095 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.740 -6.554 -5.355 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.301 -9.000 -5.807 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.627 -8.838 -4.673 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -4.865 -8.394 -5.880 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.644 -7.199 -8.037 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.309 -6.752 -7.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.436 -5.761 -10.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.200 -5.470 -9.613 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -2.239 -4.979 -10.903 1.00 0.00 H new ATOM 460 N PHE A 29 -2.179 -5.050 -4.036 1.00 0.00 N ATOM 461 CA PHE A 29 -3.049 -4.133 -3.308 1.00 0.00 C ATOM 462 C PHE A 29 -4.279 -3.777 -4.138 1.00 0.00 C ATOM 463 O PHE A 29 -4.221 -3.731 -5.366 1.00 0.00 O ATOM 464 CB PHE A 29 -2.285 -2.861 -2.935 1.00 0.00 C ATOM 465 CG PHE A 29 -1.334 -3.047 -1.788 1.00 0.00 C ATOM 466 CD1 PHE A 29 -0.131 -3.710 -1.969 1.00 0.00 C ATOM 467 CD2 PHE A 29 -1.643 -2.559 -0.529 1.00 0.00 C ATOM 468 CE1 PHE A 29 0.747 -3.883 -0.916 1.00 0.00 C ATOM 469 CE2 PHE A 29 -0.769 -2.728 0.528 1.00 0.00 C ATOM 470 CZ PHE A 29 0.427 -3.392 0.335 1.00 0.00 C ATOM 0 H PHE A 29 -1.574 -4.601 -4.724 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.380 -4.630 -2.396 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.728 -2.513 -3.805 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.000 -2.079 -2.680 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.124 -4.096 -2.945 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.577 -2.041 -0.372 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.682 -4.401 -1.071 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.021 -2.341 1.504 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.110 -3.527 1.160 1.00 0.00 H new ATOM 480 N ASP A 30 -5.392 -3.526 -3.456 1.00 0.00 N ATOM 481 CA ASP A 30 -6.637 -3.174 -4.129 1.00 0.00 C ATOM 482 C ASP A 30 -7.500 -2.283 -3.241 1.00 0.00 C ATOM 483 O ASP A 30 -7.961 -2.705 -2.180 1.00 0.00 O ATOM 484 CB ASP A 30 -7.410 -4.436 -4.511 1.00 0.00 C ATOM 485 CG ASP A 30 -6.673 -5.280 -5.533 1.00 0.00 C ATOM 486 OD1 ASP A 30 -5.878 -6.151 -5.121 1.00 0.00 O ATOM 487 OD2 ASP A 30 -6.892 -5.069 -6.744 1.00 0.00 O ATOM 0 H ASP A 30 -5.457 -3.560 -2.439 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.388 -2.622 -5.036 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.593 -5.031 -3.616 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.384 -4.155 -4.911 1.00 0.00 H new ATOM 492 N LEU A 31 -7.715 -1.048 -3.681 1.00 0.00 N ATOM 493 CA LEU A 31 -8.522 -0.096 -2.927 1.00 0.00 C ATOM 494 C LEU A 31 -9.994 -0.204 -3.312 1.00 0.00 C ATOM 495 O LEU A 31 -10.325 -0.469 -4.468 1.00 0.00 O ATOM 496 CB LEU A 31 -8.023 1.330 -3.168 1.00 0.00 C ATOM 497 CG LEU A 31 -8.686 2.424 -2.329 1.00 0.00 C ATOM 498 CD1 LEU A 31 -8.017 2.531 -0.968 1.00 0.00 C ATOM 499 CD2 LEU A 31 -8.634 3.759 -3.058 1.00 0.00 C ATOM 0 H LEU A 31 -7.341 -0.683 -4.557 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.424 -0.334 -1.868 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.950 1.355 -2.979 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.166 1.571 -4.221 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.732 2.156 -2.177 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.502 3.314 -0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.106 1.580 -0.443 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.963 2.776 -1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.110 4.526 -2.447 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.595 4.034 -3.241 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.160 3.675 -4.009 1.00 0.00 H new ATOM 511 N TRP A 32 -10.872 0.005 -2.338 1.00 0.00 N ATOM 512 CA TRP A 32 -12.309 -0.067 -2.576 1.00 0.00 C ATOM 513 C TRP A 32 -12.902 1.327 -2.750 1.00 0.00 C ATOM 514 O TRP A 32 -12.245 2.330 -2.474 1.00 0.00 O ATOM 515 CB TRP A 32 -13.003 -0.790 -1.421 1.00 0.00 C ATOM 516 CG TRP A 32 -12.699 -2.256 -1.369 1.00 0.00 C ATOM 517 CD1 TRP A 32 -11.474 -2.844 -1.506 1.00 0.00 C ATOM 518 CD2 TRP A 32 -13.636 -3.319 -1.167 1.00 0.00 C ATOM 519 NE1 TRP A 32 -11.593 -4.209 -1.402 1.00 0.00 N ATOM 520 CE2 TRP A 32 -12.909 -4.526 -1.193 1.00 0.00 C ATOM 521 CE3 TRP A 32 -15.018 -3.370 -0.965 1.00 0.00 C ATOM 522 CZ2 TRP A 32 -13.520 -5.766 -1.025 1.00 0.00 C ATOM 523 CZ3 TRP A 32 -15.622 -4.601 -0.799 1.00 0.00 C ATOM 524 CH2 TRP A 32 -14.874 -5.786 -0.829 1.00 0.00 C ATOM 0 H TRP A 32 -10.614 0.226 -1.376 1.00 0.00 H new ATOM 0 HA TRP A 32 -12.472 -0.628 -3.496 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -12.701 -0.330 -0.480 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -14.081 -0.653 -1.511 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -10.548 -2.314 -1.672 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -10.826 -4.878 -1.469 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -15.603 -2.463 -0.939 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -12.945 -6.680 -1.049 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -16.690 -4.651 -0.643 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -15.376 -6.733 -0.695 1.00 0.00 H new ATOM 535 N SER A 33 -14.149 1.382 -3.210 1.00 0.00 N ATOM 536 CA SER A 33 -14.829 2.654 -3.424 1.00 0.00 C ATOM 537 C SER A 33 -15.156 3.325 -2.093 1.00 0.00 C ATOM 538 O SER A 33 -15.157 4.552 -1.988 1.00 0.00 O ATOM 539 CB SER A 33 -16.112 2.441 -4.229 1.00 0.00 C ATOM 540 OG SER A 33 -16.736 3.677 -4.531 1.00 0.00 O ATOM 0 H SER A 33 -14.708 0.561 -3.441 1.00 0.00 H new ATOM 0 HA SER A 33 -14.160 3.306 -3.986 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.881 1.911 -5.153 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.799 1.812 -3.664 1.00 0.00 H new ATOM 0 HG SER A 33 -17.553 3.514 -5.047 1.00 0.00 H new ATOM 546 N ASP A 34 -15.433 2.512 -1.080 1.00 0.00 N ATOM 547 CA ASP A 34 -15.761 3.026 0.245 1.00 0.00 C ATOM 548 C ASP A 34 -14.495 3.381 1.019 1.00 0.00 C ATOM 549 O ASP A 34 -14.559 3.799 2.174 1.00 0.00 O ATOM 550 CB ASP A 34 -16.580 1.997 1.026 1.00 0.00 C ATOM 551 CG ASP A 34 -18.011 1.902 0.535 1.00 0.00 C ATOM 552 OD1 ASP A 34 -18.246 1.207 -0.476 1.00 0.00 O ATOM 553 OD2 ASP A 34 -18.896 2.521 1.162 1.00 0.00 O ATOM 0 H ASP A 34 -15.437 1.494 -1.151 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.354 3.932 0.120 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.105 1.020 0.942 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -16.579 2.263 2.083 1.00 0.00 H new ATOM 558 N GLY A 35 -13.346 3.211 0.373 1.00 0.00 N ATOM 559 CA GLY A 35 -12.081 3.517 1.016 1.00 0.00 C ATOM 560 C GLY A 35 -11.368 2.275 1.513 1.00 0.00 C ATOM 561 O GLY A 35 -10.138 2.226 1.543 1.00 0.00 O ATOM 0 H GLY A 35 -13.268 2.867 -0.584 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.437 4.045 0.312 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.257 4.191 1.854 1.00 0.00 H new ATOM 565 N HIS A 36 -12.142 1.268 1.907 1.00 0.00 N ATOM 566 CA HIS A 36 -11.576 0.020 2.406 1.00 0.00 C ATOM 567 C HIS A 36 -10.462 -0.477 1.490 1.00 0.00 C ATOM 568 O HIS A 36 -10.608 -0.486 0.267 1.00 0.00 O ATOM 569 CB HIS A 36 -12.666 -1.046 2.528 1.00 0.00 C ATOM 570 CG HIS A 36 -13.390 -1.015 3.839 1.00 0.00 C ATOM 571 ND1 HIS A 36 -14.662 -0.504 3.984 1.00 0.00 N ATOM 572 CD2 HIS A 36 -13.013 -1.437 5.069 1.00 0.00 C ATOM 573 CE1 HIS A 36 -15.036 -0.612 5.246 1.00 0.00 C ATOM 574 NE2 HIS A 36 -14.053 -1.175 5.926 1.00 0.00 N ATOM 0 H HIS A 36 -13.162 1.292 1.890 1.00 0.00 H new ATOM 0 HA HIS A 36 -11.153 0.211 3.392 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -13.386 -0.911 1.721 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -12.217 -2.030 2.393 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -12.070 -1.895 5.328 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -15.984 -0.294 5.653 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -14.065 -1.381 6.925 1.00 0.00 H new ATOM 583 N LEU A 37 -9.350 -0.890 2.088 1.00 0.00 N ATOM 584 CA LEU A 37 -8.211 -1.388 1.326 1.00 0.00 C ATOM 585 C LEU A 37 -7.906 -2.839 1.687 1.00 0.00 C ATOM 586 O LEU A 37 -7.792 -3.185 2.863 1.00 0.00 O ATOM 587 CB LEU A 37 -6.980 -0.517 1.583 1.00 0.00 C ATOM 588 CG LEU A 37 -5.670 -1.007 0.964 1.00 0.00 C ATOM 589 CD1 LEU A 37 -5.653 -0.734 -0.532 1.00 0.00 C ATOM 590 CD2 LEU A 37 -4.479 -0.345 1.642 1.00 0.00 C ATOM 0 H LEU A 37 -9.213 -0.890 3.099 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.466 -1.342 0.267 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.184 0.485 1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.839 -0.430 2.660 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.598 -2.084 1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.714 -1.089 -0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.485 -1.255 -1.006 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.748 0.338 -0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.556 -0.706 1.189 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.545 0.736 1.520 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.482 -0.591 2.704 1.00 0.00 H new ATOM 602 N ILE A 38 -7.775 -3.681 0.668 1.00 0.00 N ATOM 603 CA ILE A 38 -7.480 -5.093 0.878 1.00 0.00 C ATOM 604 C ILE A 38 -6.424 -5.587 -0.106 1.00 0.00 C ATOM 605 O ILE A 38 -6.560 -5.414 -1.317 1.00 0.00 O ATOM 606 CB ILE A 38 -8.745 -5.960 0.734 1.00 0.00 C ATOM 607 CG1 ILE A 38 -9.900 -5.350 1.530 1.00 0.00 C ATOM 608 CG2 ILE A 38 -8.468 -7.382 1.197 1.00 0.00 C ATOM 609 CD1 ILE A 38 -11.235 -6.007 1.257 1.00 0.00 C ATOM 0 H ILE A 38 -7.868 -3.410 -0.311 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.098 -5.187 1.895 1.00 0.00 H new ATOM 0 HB ILE A 38 -9.029 -5.991 -0.318 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -9.677 -5.426 2.594 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.972 -4.288 1.295 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.371 -7.982 1.089 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.671 -7.813 0.591 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.163 -7.371 2.243 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -12.007 -5.524 1.855 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -11.480 -5.908 0.200 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -11.181 -7.064 1.519 1.00 0.00 H new ATOM 621 N TYR A 39 -5.373 -6.203 0.423 1.00 0.00 N ATOM 622 CA TYR A 39 -4.293 -6.722 -0.408 1.00 0.00 C ATOM 623 C TYR A 39 -4.199 -8.240 -0.293 1.00 0.00 C ATOM 624 O TYR A 39 -4.491 -8.814 0.757 1.00 0.00 O ATOM 625 CB TYR A 39 -2.962 -6.085 -0.007 1.00 0.00 C ATOM 626 CG TYR A 39 -2.852 -5.792 1.472 1.00 0.00 C ATOM 627 CD1 TYR A 39 -3.378 -4.624 2.010 1.00 0.00 C ATOM 628 CD2 TYR A 39 -2.222 -6.684 2.332 1.00 0.00 C ATOM 629 CE1 TYR A 39 -3.279 -4.353 3.361 1.00 0.00 C ATOM 630 CE2 TYR A 39 -2.120 -6.421 3.684 1.00 0.00 C ATOM 631 CZ TYR A 39 -2.649 -5.254 4.194 1.00 0.00 C ATOM 632 OH TYR A 39 -2.550 -4.987 5.540 1.00 0.00 O ATOM 0 H TYR A 39 -5.246 -6.355 1.424 1.00 0.00 H new ATOM 0 HA TYR A 39 -4.512 -6.467 -1.445 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.148 -6.749 -0.299 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.831 -5.157 -0.563 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.872 -3.916 1.361 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.805 -7.598 1.936 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.693 -3.440 3.763 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.628 -7.126 4.338 1.00 0.00 H new ATOM 0 HH TYR A 39 -3.317 -4.446 5.823 1.00 0.00 H new ATOM 642 N TYR A 40 -3.788 -8.885 -1.379 1.00 0.00 N ATOM 643 CA TYR A 40 -3.655 -10.337 -1.403 1.00 0.00 C ATOM 644 C TYR A 40 -2.188 -10.749 -1.474 1.00 0.00 C ATOM 645 O TYR A 40 -1.300 -9.906 -1.600 1.00 0.00 O ATOM 646 CB TYR A 40 -4.420 -10.920 -2.592 1.00 0.00 C ATOM 647 CG TYR A 40 -5.874 -10.509 -2.638 1.00 0.00 C ATOM 648 CD1 TYR A 40 -6.824 -11.156 -1.858 1.00 0.00 C ATOM 649 CD2 TYR A 40 -6.298 -9.474 -3.463 1.00 0.00 C ATOM 650 CE1 TYR A 40 -8.154 -10.783 -1.897 1.00 0.00 C ATOM 651 CE2 TYR A 40 -7.625 -9.095 -3.508 1.00 0.00 C ATOM 652 CZ TYR A 40 -8.550 -9.752 -2.723 1.00 0.00 C ATOM 653 OH TYR A 40 -9.873 -9.378 -2.766 1.00 0.00 O ATOM 0 H TYR A 40 -3.541 -8.425 -2.255 1.00 0.00 H new ATOM 0 HA TYR A 40 -4.079 -10.731 -0.479 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.933 -10.606 -3.515 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.360 -12.008 -2.554 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -6.518 -11.964 -1.210 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.577 -8.957 -4.079 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -8.880 -11.296 -1.284 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -7.937 -8.288 -4.155 1.00 0.00 H new ATOM 0 HH TYR A 40 -9.983 -8.636 -3.397 1.00 0.00 H new ATOM 663 N ASP A 41 -1.942 -12.052 -1.394 1.00 0.00 N ATOM 664 CA ASP A 41 -0.584 -12.579 -1.452 1.00 0.00 C ATOM 665 C ASP A 41 -0.029 -12.496 -2.870 1.00 0.00 C ATOM 666 O ASP A 41 1.174 -12.323 -3.068 1.00 0.00 O ATOM 667 CB ASP A 41 -0.554 -14.028 -0.963 1.00 0.00 C ATOM 668 CG ASP A 41 0.817 -14.445 -0.470 1.00 0.00 C ATOM 669 OD1 ASP A 41 1.398 -13.714 0.360 1.00 0.00 O ATOM 670 OD2 ASP A 41 1.310 -15.503 -0.914 1.00 0.00 O ATOM 0 H ASP A 41 -2.666 -12.763 -1.289 1.00 0.00 H new ATOM 0 HA ASP A 41 0.043 -11.971 -0.800 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.279 -14.152 -0.159 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.862 -14.688 -1.774 1.00 0.00 H new ATOM 675 N ASP A 42 -0.912 -12.623 -3.854 1.00 0.00 N ATOM 676 CA ASP A 42 -0.511 -12.563 -5.255 1.00 0.00 C ATOM 677 C ASP A 42 -1.717 -12.316 -6.155 1.00 0.00 C ATOM 678 O ASP A 42 -2.830 -12.104 -5.674 1.00 0.00 O ATOM 679 CB ASP A 42 0.189 -13.860 -5.663 1.00 0.00 C ATOM 680 CG ASP A 42 1.549 -14.014 -5.009 1.00 0.00 C ATOM 681 OD1 ASP A 42 2.473 -13.258 -5.376 1.00 0.00 O ATOM 682 OD2 ASP A 42 1.688 -14.890 -4.131 1.00 0.00 O ATOM 0 H ASP A 42 -1.911 -12.768 -3.707 1.00 0.00 H new ATOM 0 HA ASP A 42 0.184 -11.732 -5.373 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.439 -14.709 -5.393 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.305 -13.881 -6.747 1.00 0.00 H new ATOM 687 N GLN A 43 -1.488 -12.345 -7.464 1.00 0.00 N ATOM 688 CA GLN A 43 -2.556 -12.123 -8.432 1.00 0.00 C ATOM 689 C GLN A 43 -3.704 -13.101 -8.209 1.00 0.00 C ATOM 690 O GLN A 43 -4.796 -12.928 -8.751 1.00 0.00 O ATOM 691 CB GLN A 43 -2.019 -12.263 -9.857 1.00 0.00 C ATOM 692 CG GLN A 43 -1.440 -13.637 -10.156 1.00 0.00 C ATOM 693 CD GLN A 43 -2.502 -14.645 -10.548 1.00 0.00 C ATOM 694 OE1 GLN A 43 -3.695 -14.340 -10.545 1.00 0.00 O ATOM 695 NE2 GLN A 43 -2.073 -15.855 -10.889 1.00 0.00 N ATOM 0 H GLN A 43 -0.573 -12.520 -7.879 1.00 0.00 H new ATOM 0 HA GLN A 43 -2.934 -11.110 -8.293 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.824 -12.056 -10.562 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.249 -11.509 -10.022 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.710 -13.552 -10.961 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.906 -14.001 -9.278 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -1.075 -16.064 -10.877 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -2.742 -16.575 -11.163 1.00 0.00 H new ATOM 704 N THR A 44 -3.450 -14.132 -7.408 1.00 0.00 N ATOM 705 CA THR A 44 -4.462 -15.139 -7.115 1.00 0.00 C ATOM 706 C THR A 44 -5.709 -14.506 -6.509 1.00 0.00 C ATOM 707 O THR A 44 -6.802 -15.067 -6.586 1.00 0.00 O ATOM 708 CB THR A 44 -3.923 -16.212 -6.150 1.00 0.00 C ATOM 709 OG1 THR A 44 -3.095 -15.603 -5.153 1.00 0.00 O ATOM 710 CG2 THR A 44 -3.126 -17.266 -6.904 1.00 0.00 C ATOM 0 H THR A 44 -2.552 -14.291 -6.951 1.00 0.00 H new ATOM 0 HA THR A 44 -4.722 -15.611 -8.063 1.00 0.00 H new ATOM 0 HB THR A 44 -4.773 -16.697 -5.669 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.758 -16.292 -4.543 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.755 -18.013 -6.202 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.767 -17.748 -7.642 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.284 -16.793 -7.409 1.00 0.00 H new ATOM 718 N ARG A 45 -5.538 -13.334 -5.905 1.00 0.00 N ATOM 719 CA ARG A 45 -6.650 -12.625 -5.285 1.00 0.00 C ATOM 720 C ARG A 45 -7.588 -13.598 -4.576 1.00 0.00 C ATOM 721 O ARG A 45 -8.804 -13.410 -4.570 1.00 0.00 O ATOM 722 CB ARG A 45 -7.425 -11.828 -6.336 1.00 0.00 C ATOM 723 CG ARG A 45 -6.754 -10.522 -6.726 1.00 0.00 C ATOM 724 CD ARG A 45 -7.462 -9.860 -7.898 1.00 0.00 C ATOM 725 NE ARG A 45 -6.548 -9.056 -8.706 1.00 0.00 N ATOM 726 CZ ARG A 45 -6.911 -8.426 -9.818 1.00 0.00 C ATOM 727 NH1 ARG A 45 -8.161 -8.507 -10.252 1.00 0.00 N ATOM 728 NH2 ARG A 45 -6.022 -7.713 -10.498 1.00 0.00 N ATOM 0 H ARG A 45 -4.640 -12.856 -5.832 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.241 -11.937 -4.545 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.550 -12.443 -7.227 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.423 -11.614 -5.954 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.750 -9.845 -5.872 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.713 -10.711 -6.988 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -7.921 -10.626 -8.524 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.268 -9.228 -7.525 1.00 0.00 H new ATOM 0 HE ARG A 45 -5.579 -8.974 -8.400 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -8.847 -9.054 -9.732 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -8.437 -8.022 -11.106 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -5.059 -7.648 -10.167 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -6.301 -7.230 -11.352 1.00 0.00 H new ATOM 742 N GLN A 46 -7.013 -14.639 -3.981 1.00 0.00 N ATOM 743 CA GLN A 46 -7.797 -15.642 -3.271 1.00 0.00 C ATOM 744 C GLN A 46 -7.351 -15.753 -1.817 1.00 0.00 C ATOM 745 O GLN A 46 -8.155 -16.040 -0.930 1.00 0.00 O ATOM 746 CB GLN A 46 -7.672 -17.001 -3.961 1.00 0.00 C ATOM 747 CG GLN A 46 -6.519 -17.844 -3.439 1.00 0.00 C ATOM 748 CD GLN A 46 -6.323 -19.120 -4.234 1.00 0.00 C ATOM 749 OE1 GLN A 46 -7.288 -19.787 -4.608 1.00 0.00 O ATOM 750 NE2 GLN A 46 -5.069 -19.466 -4.497 1.00 0.00 N ATOM 0 H GLN A 46 -6.007 -14.809 -3.977 1.00 0.00 H new ATOM 0 HA GLN A 46 -8.841 -15.329 -3.288 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.603 -17.553 -3.830 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.542 -16.845 -5.032 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -5.601 -17.257 -3.470 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -6.702 -18.096 -2.394 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -4.299 -18.883 -4.167 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -4.875 -20.315 -5.029 1.00 0.00 H new ATOM 759 N SER A 47 -6.063 -15.524 -1.579 1.00 0.00 N ATOM 760 CA SER A 47 -5.508 -15.604 -0.233 1.00 0.00 C ATOM 761 C SER A 47 -5.449 -14.222 0.412 1.00 0.00 C ATOM 762 O SER A 47 -4.392 -13.591 0.457 1.00 0.00 O ATOM 763 CB SER A 47 -4.109 -16.222 -0.271 1.00 0.00 C ATOM 764 OG SER A 47 -3.821 -16.905 0.937 1.00 0.00 O ATOM 0 H SER A 47 -5.385 -15.282 -2.301 1.00 0.00 H new ATOM 0 HA SER A 47 -6.161 -16.239 0.366 1.00 0.00 H new ATOM 0 HB2 SER A 47 -4.036 -16.914 -1.110 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.367 -15.441 -0.437 1.00 0.00 H new ATOM 0 HG SER A 47 -2.922 -17.292 0.887 1.00 0.00 H new ATOM 770 N ILE A 48 -6.590 -13.759 0.909 1.00 0.00 N ATOM 771 CA ILE A 48 -6.669 -12.454 1.553 1.00 0.00 C ATOM 772 C ILE A 48 -5.571 -12.289 2.598 1.00 0.00 C ATOM 773 O ILE A 48 -5.672 -12.813 3.707 1.00 0.00 O ATOM 774 CB ILE A 48 -8.038 -12.239 2.225 1.00 0.00 C ATOM 775 CG1 ILE A 48 -9.150 -12.226 1.174 1.00 0.00 C ATOM 776 CG2 ILE A 48 -8.039 -10.943 3.022 1.00 0.00 C ATOM 777 CD1 ILE A 48 -10.525 -12.493 1.746 1.00 0.00 C ATOM 0 H ILE A 48 -7.473 -14.268 0.878 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.537 -11.708 0.770 1.00 0.00 H new ATOM 0 HB ILE A 48 -8.223 -13.065 2.912 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -9.155 -11.257 0.674 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -8.930 -12.976 0.414 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -9.013 -10.805 3.491 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.269 -10.989 3.792 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -7.836 -10.105 2.355 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -11.263 -12.469 0.945 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -10.537 -13.474 2.221 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -10.766 -11.729 2.485 1.00 0.00 H new ATOM 789 N GLU A 49 -4.523 -11.555 2.237 1.00 0.00 N ATOM 790 CA GLU A 49 -3.406 -11.321 3.144 1.00 0.00 C ATOM 791 C GLU A 49 -3.864 -10.562 4.386 1.00 0.00 C ATOM 792 O GLU A 49 -3.559 -10.953 5.513 1.00 0.00 O ATOM 793 CB GLU A 49 -2.299 -10.538 2.435 1.00 0.00 C ATOM 794 CG GLU A 49 -1.283 -11.423 1.731 1.00 0.00 C ATOM 795 CD GLU A 49 -0.813 -12.575 2.598 1.00 0.00 C ATOM 796 OE1 GLU A 49 -0.516 -12.338 3.788 1.00 0.00 O ATOM 797 OE2 GLU A 49 -0.742 -13.712 2.087 1.00 0.00 O ATOM 0 H GLU A 49 -4.424 -11.113 1.323 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.015 -12.290 3.454 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.751 -9.866 1.705 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.782 -9.915 3.165 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.723 -11.818 0.816 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.424 -10.820 1.437 1.00 0.00 H new ATOM 804 N ASP A 50 -4.598 -9.476 4.171 1.00 0.00 N ATOM 805 CA ASP A 50 -5.099 -8.661 5.272 1.00 0.00 C ATOM 806 C ASP A 50 -6.051 -7.585 4.762 1.00 0.00 C ATOM 807 O ASP A 50 -6.257 -7.443 3.556 1.00 0.00 O ATOM 808 CB ASP A 50 -3.937 -8.016 6.028 1.00 0.00 C ATOM 809 CG ASP A 50 -4.291 -7.690 7.466 1.00 0.00 C ATOM 810 OD1 ASP A 50 -4.493 -8.635 8.256 1.00 0.00 O ATOM 811 OD2 ASP A 50 -4.364 -6.489 7.800 1.00 0.00 O ATOM 0 H ASP A 50 -4.859 -9.139 3.244 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.647 -9.312 5.953 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.079 -8.688 6.012 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.636 -7.103 5.515 1.00 0.00 H new ATOM 816 N LYS A 51 -6.631 -6.828 5.688 1.00 0.00 N ATOM 817 CA LYS A 51 -7.562 -5.763 5.333 1.00 0.00 C ATOM 818 C LYS A 51 -7.426 -4.581 6.287 1.00 0.00 C ATOM 819 O LYS A 51 -7.255 -4.761 7.493 1.00 0.00 O ATOM 820 CB LYS A 51 -9.000 -6.287 5.354 1.00 0.00 C ATOM 821 CG LYS A 51 -10.039 -5.203 5.588 1.00 0.00 C ATOM 822 CD LYS A 51 -11.448 -5.721 5.355 1.00 0.00 C ATOM 823 CE LYS A 51 -11.946 -6.532 6.542 1.00 0.00 C ATOM 824 NZ LYS A 51 -12.578 -5.669 7.578 1.00 0.00 N ATOM 0 H LYS A 51 -6.473 -6.932 6.690 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.320 -5.424 4.326 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.211 -6.783 4.406 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.092 -7.041 6.136 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.952 -4.829 6.608 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.845 -4.362 4.922 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.121 -4.882 5.178 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.466 -6.339 4.457 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.667 -7.274 6.198 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.113 -7.078 6.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.904 -6.259 8.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.883 -4.977 7.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.389 -5.167 7.164 1.00 0.00 H new ATOM 838 N VAL A 52 -7.505 -3.372 5.740 1.00 0.00 N ATOM 839 CA VAL A 52 -7.393 -2.161 6.544 1.00 0.00 C ATOM 840 C VAL A 52 -8.021 -0.968 5.830 1.00 0.00 C ATOM 841 O VAL A 52 -7.813 -0.768 4.633 1.00 0.00 O ATOM 842 CB VAL A 52 -5.923 -1.836 6.867 1.00 0.00 C ATOM 843 CG1 VAL A 52 -5.781 -0.388 7.313 1.00 0.00 C ATOM 844 CG2 VAL A 52 -5.389 -2.784 7.930 1.00 0.00 C ATOM 0 H VAL A 52 -7.646 -3.205 4.744 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.929 -2.348 7.475 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.332 -1.972 5.961 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.735 -0.177 7.537 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.122 0.273 6.516 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.384 -0.221 8.206 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.349 -2.540 8.146 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.982 -2.682 8.839 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.453 -3.810 7.568 1.00 0.00 H new ATOM 854 N HIS A 53 -8.788 -0.178 6.573 1.00 0.00 N ATOM 855 CA HIS A 53 -9.446 0.997 6.012 1.00 0.00 C ATOM 856 C HIS A 53 -8.476 2.171 5.921 1.00 0.00 C ATOM 857 O HIS A 53 -7.393 2.140 6.505 1.00 0.00 O ATOM 858 CB HIS A 53 -10.657 1.385 6.862 1.00 0.00 C ATOM 859 CG HIS A 53 -11.793 1.946 6.064 1.00 0.00 C ATOM 860 ND1 HIS A 53 -13.013 2.272 6.619 1.00 0.00 N ATOM 861 CD2 HIS A 53 -11.890 2.240 4.747 1.00 0.00 C ATOM 862 CE1 HIS A 53 -13.811 2.741 5.677 1.00 0.00 C ATOM 863 NE2 HIS A 53 -13.154 2.732 4.531 1.00 0.00 N ATOM 0 H HIS A 53 -8.970 -0.330 7.565 1.00 0.00 H new ATOM 0 HA HIS A 53 -9.783 0.748 5.006 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -11.005 0.507 7.406 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.348 2.120 7.606 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -11.117 2.112 4.004 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -14.828 3.075 5.819 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -13.525 3.040 3.632 1.00 0.00 H new ATOM 872 N MET A 54 -8.872 3.204 5.185 1.00 0.00 N ATOM 873 CA MET A 54 -8.038 4.388 5.018 1.00 0.00 C ATOM 874 C MET A 54 -8.521 5.524 5.914 1.00 0.00 C ATOM 875 O MET A 54 -7.871 5.895 6.892 1.00 0.00 O ATOM 876 CB MET A 54 -8.041 4.839 3.556 1.00 0.00 C ATOM 877 CG MET A 54 -6.863 4.310 2.755 1.00 0.00 C ATOM 878 SD MET A 54 -5.274 4.846 3.419 1.00 0.00 S ATOM 879 CE MET A 54 -5.350 6.607 3.101 1.00 0.00 C ATOM 0 H MET A 54 -9.765 3.245 4.695 1.00 0.00 H new ATOM 0 HA MET A 54 -7.020 4.128 5.308 1.00 0.00 H new ATOM 0 HB2 MET A 54 -8.967 4.510 3.085 1.00 0.00 H new ATOM 0 HB3 MET A 54 -8.034 5.928 3.520 1.00 0.00 H new ATOM 0 HG2 MET A 54 -6.898 3.221 2.741 1.00 0.00 H new ATOM 0 HG3 MET A 54 -6.952 4.645 1.721 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.361 6.969 2.819 1.00 0.00 H new ATOM 0 HE2 MET A 54 -6.052 6.800 2.290 1.00 0.00 H new ATOM 0 HE3 MET A 54 -5.683 7.125 4.000 1.00 0.00 H new ATOM 889 N PRO A 55 -9.688 6.091 5.575 1.00 0.00 N ATOM 890 CA PRO A 55 -10.284 7.193 6.336 1.00 0.00 C ATOM 891 C PRO A 55 -10.786 6.747 7.705 1.00 0.00 C ATOM 892 O PRO A 55 -11.363 7.536 8.453 1.00 0.00 O ATOM 893 CB PRO A 55 -11.454 7.640 5.456 1.00 0.00 C ATOM 894 CG PRO A 55 -11.807 6.435 4.655 1.00 0.00 C ATOM 895 CD PRO A 55 -10.517 5.700 4.422 1.00 0.00 C ATOM 0 HA PRO A 55 -9.562 7.983 6.542 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.298 7.975 6.059 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.170 8.473 4.813 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -12.522 5.808 5.188 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -12.272 6.717 3.710 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.670 4.621 4.385 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.055 5.989 3.478 1.00 0.00 H new ATOM 903 N VAL A 56 -10.564 5.476 8.026 1.00 0.00 N ATOM 904 CA VAL A 56 -10.993 4.925 9.306 1.00 0.00 C ATOM 905 C VAL A 56 -9.813 4.348 10.080 1.00 0.00 C ATOM 906 O VAL A 56 -9.635 4.632 11.264 1.00 0.00 O ATOM 907 CB VAL A 56 -12.055 3.826 9.116 1.00 0.00 C ATOM 908 CG1 VAL A 56 -12.089 2.902 10.324 1.00 0.00 C ATOM 909 CG2 VAL A 56 -13.423 4.444 8.870 1.00 0.00 C ATOM 0 H VAL A 56 -10.090 4.809 7.417 1.00 0.00 H new ATOM 0 HA VAL A 56 -11.429 5.747 9.874 1.00 0.00 H new ATOM 0 HB VAL A 56 -11.786 3.233 8.242 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.845 2.132 10.172 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -11.113 2.433 10.451 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.333 3.479 11.216 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -14.161 3.653 8.738 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -13.702 5.062 9.724 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -13.387 5.061 7.972 1.00 0.00 H new ATOM 919 N ASP A 57 -9.008 3.537 9.402 1.00 0.00 N ATOM 920 CA ASP A 57 -7.843 2.920 10.024 1.00 0.00 C ATOM 921 C ASP A 57 -6.625 3.833 9.922 1.00 0.00 C ATOM 922 O ASP A 57 -5.944 4.091 10.915 1.00 0.00 O ATOM 923 CB ASP A 57 -7.541 1.572 9.369 1.00 0.00 C ATOM 924 CG ASP A 57 -6.950 0.573 10.344 1.00 0.00 C ATOM 925 OD1 ASP A 57 -6.061 0.965 11.128 1.00 0.00 O ATOM 926 OD2 ASP A 57 -7.376 -0.601 10.324 1.00 0.00 O ATOM 0 H ASP A 57 -9.141 3.292 8.421 1.00 0.00 H new ATOM 0 HA ASP A 57 -8.068 2.760 11.078 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -8.459 1.163 8.946 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.848 1.721 8.541 1.00 0.00 H new ATOM 931 N CYS A 58 -6.356 4.318 8.714 1.00 0.00 N ATOM 932 CA CYS A 58 -5.218 5.201 8.481 1.00 0.00 C ATOM 933 C CYS A 58 -5.535 6.625 8.926 1.00 0.00 C ATOM 934 O CYS A 58 -6.687 7.058 8.880 1.00 0.00 O ATOM 935 CB CYS A 58 -4.833 5.190 7.001 1.00 0.00 C ATOM 936 SG CYS A 58 -3.806 6.590 6.496 1.00 0.00 S ATOM 0 H CYS A 58 -6.910 4.115 7.882 1.00 0.00 H new ATOM 0 HA CYS A 58 -4.378 4.834 9.070 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -4.300 4.265 6.782 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -5.742 5.184 6.400 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.673 6.548 7.131 1.00 0.00 H new ATOM 942 N ILE A 59 -4.507 7.347 9.358 1.00 0.00 N ATOM 943 CA ILE A 59 -4.677 8.722 9.812 1.00 0.00 C ATOM 944 C ILE A 59 -3.741 9.666 9.066 1.00 0.00 C ATOM 945 O ILE A 59 -4.085 10.818 8.803 1.00 0.00 O ATOM 946 CB ILE A 59 -4.419 8.851 11.325 1.00 0.00 C ATOM 947 CG1 ILE A 59 -3.157 8.081 11.717 1.00 0.00 C ATOM 948 CG2 ILE A 59 -5.620 8.346 12.112 1.00 0.00 C ATOM 949 CD1 ILE A 59 -2.544 8.547 13.019 1.00 0.00 C ATOM 0 H ILE A 59 -3.548 7.003 9.403 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.711 8.998 9.603 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.268 9.904 11.564 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.398 7.021 11.797 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.419 8.180 10.921 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.423 8.444 13.180 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.500 8.934 11.850 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.799 7.298 11.870 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.653 7.957 13.234 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.271 9.599 12.937 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.266 8.422 13.826 1.00 0.00 H new ATOM 961 N ASN A 60 -2.555 9.170 8.726 1.00 0.00 N ATOM 962 CA ASN A 60 -1.569 9.969 8.008 1.00 0.00 C ATOM 963 C ASN A 60 -0.824 9.121 6.982 1.00 0.00 C ATOM 964 O ASN A 60 -0.603 7.928 7.191 1.00 0.00 O ATOM 965 CB ASN A 60 -0.575 10.593 8.990 1.00 0.00 C ATOM 966 CG ASN A 60 0.451 11.468 8.297 1.00 0.00 C ATOM 967 OD1 ASN A 60 1.592 11.056 8.084 1.00 0.00 O ATOM 968 ND2 ASN A 60 0.049 12.682 7.942 1.00 0.00 N ATOM 0 H ASN A 60 -2.254 8.218 8.936 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.096 10.764 7.481 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.119 11.187 9.724 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.063 9.801 9.537 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.695 13.316 7.472 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.906 12.981 8.139 1.00 0.00 H new ATOM 975 N ILE A 61 -0.439 9.746 5.875 1.00 0.00 N ATOM 976 CA ILE A 61 0.283 9.049 4.817 1.00 0.00 C ATOM 977 C ILE A 61 1.664 9.658 4.601 1.00 0.00 C ATOM 978 O ILE A 61 1.797 10.865 4.399 1.00 0.00 O ATOM 979 CB ILE A 61 -0.494 9.083 3.488 1.00 0.00 C ATOM 980 CG1 ILE A 61 -1.903 8.519 3.682 1.00 0.00 C ATOM 981 CG2 ILE A 61 0.253 8.302 2.418 1.00 0.00 C ATOM 982 CD1 ILE A 61 -2.822 8.773 2.508 1.00 0.00 C ATOM 0 H ILE A 61 -0.615 10.733 5.687 1.00 0.00 H new ATOM 0 HA ILE A 61 0.391 8.013 5.139 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.580 10.119 3.160 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.835 7.445 3.854 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.341 8.958 4.578 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.309 8.335 1.484 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.237 8.744 2.265 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.366 7.266 2.736 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.803 8.346 2.715 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.920 9.847 2.348 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.406 8.310 1.613 1.00 0.00 H new ATOM 994 N ARG A 62 2.690 8.814 4.644 1.00 0.00 N ATOM 995 CA ARG A 62 4.062 9.269 4.452 1.00 0.00 C ATOM 996 C ARG A 62 4.662 8.667 3.184 1.00 0.00 C ATOM 997 O ARG A 62 4.261 7.589 2.745 1.00 0.00 O ATOM 998 CB ARG A 62 4.920 8.895 5.662 1.00 0.00 C ATOM 999 CG ARG A 62 4.441 9.517 6.964 1.00 0.00 C ATOM 1000 CD ARG A 62 5.596 9.767 7.920 1.00 0.00 C ATOM 1001 NE ARG A 62 5.167 9.738 9.316 1.00 0.00 N ATOM 1002 CZ ARG A 62 4.731 8.642 9.928 1.00 0.00 C ATOM 1003 NH1 ARG A 62 4.668 7.492 9.271 1.00 0.00 N ATOM 1004 NH2 ARG A 62 4.359 8.695 11.200 1.00 0.00 N ATOM 0 H ARG A 62 2.597 7.812 4.810 1.00 0.00 H new ATOM 0 HA ARG A 62 4.047 10.354 4.347 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.929 7.810 5.769 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.948 9.206 5.478 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.932 10.457 6.753 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.712 8.858 7.437 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.367 9.013 7.762 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.046 10.735 7.699 1.00 0.00 H new ATOM 0 HE ARG A 62 5.204 10.606 9.850 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.955 7.447 8.293 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.333 6.652 9.743 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.407 9.577 11.709 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.024 7.853 11.669 1.00 0.00 H new ATOM 1018 N THR A 63 5.626 9.372 2.600 1.00 0.00 N ATOM 1019 CA THR A 63 6.281 8.909 1.383 1.00 0.00 C ATOM 1020 C THR A 63 7.753 9.304 1.365 1.00 0.00 C ATOM 1021 O THR A 63 8.102 10.446 1.661 1.00 0.00 O ATOM 1022 CB THR A 63 5.594 9.475 0.126 1.00 0.00 C ATOM 1023 OG1 THR A 63 5.375 10.882 0.278 1.00 0.00 O ATOM 1024 CG2 THR A 63 4.267 8.775 -0.127 1.00 0.00 C ATOM 0 H THR A 63 5.970 10.266 2.950 1.00 0.00 H new ATOM 0 HA THR A 63 6.200 7.822 1.375 1.00 0.00 H new ATOM 0 HB THR A 63 6.248 9.300 -0.728 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.939 11.234 -0.526 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.800 9.191 -1.020 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.440 7.709 -0.272 1.00 0.00 H new ATOM 0 HG23 THR A 63 3.609 8.923 0.729 1.00 0.00 H new ATOM 1032 N GLY A 64 8.613 8.353 1.015 1.00 0.00 N ATOM 1033 CA GLY A 64 10.038 8.622 0.965 1.00 0.00 C ATOM 1034 C GLY A 64 10.637 8.831 2.342 1.00 0.00 C ATOM 1035 O GLY A 64 10.359 8.071 3.270 1.00 0.00 O ATOM 0 H GLY A 64 8.348 7.400 0.765 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.545 7.791 0.474 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.216 9.508 0.356 1.00 0.00 H new ATOM 1039 N HIS A 65 11.463 9.864 2.475 1.00 0.00 N ATOM 1040 CA HIS A 65 12.105 10.170 3.749 1.00 0.00 C ATOM 1041 C HIS A 65 11.066 10.348 4.852 1.00 0.00 C ATOM 1042 O HIS A 65 11.254 9.881 5.974 1.00 0.00 O ATOM 1043 CB HIS A 65 12.955 11.435 3.625 1.00 0.00 C ATOM 1044 CG HIS A 65 14.331 11.182 3.091 1.00 0.00 C ATOM 1045 ND1 HIS A 65 14.708 11.491 1.801 1.00 0.00 N ATOM 1046 CD2 HIS A 65 15.425 10.647 3.683 1.00 0.00 C ATOM 1047 CE1 HIS A 65 15.973 11.155 1.622 1.00 0.00 C ATOM 1048 NE2 HIS A 65 16.432 10.641 2.748 1.00 0.00 N ATOM 0 H HIS A 65 11.703 10.503 1.717 1.00 0.00 H new ATOM 0 HA HIS A 65 12.750 9.332 4.013 1.00 0.00 H new ATOM 0 HB2 HIS A 65 12.445 12.143 2.972 1.00 0.00 H new ATOM 0 HB3 HIS A 65 13.035 11.906 4.605 1.00 0.00 H new ATOM 0 HD1 HIS A 65 14.104 11.913 1.095 1.00 0.00 H new ATOM 0 HD2 HIS A 65 15.493 10.291 4.700 1.00 0.00 H new ATOM 0 HE1 HIS A 65 16.536 11.280 0.709 1.00 0.00 H new ATOM 1057 N GLU A 66 9.971 11.026 4.523 1.00 0.00 N ATOM 1058 CA GLU A 66 8.903 11.266 5.487 1.00 0.00 C ATOM 1059 C GLU A 66 8.550 9.985 6.237 1.00 0.00 C ATOM 1060 O GLU A 66 8.292 10.009 7.441 1.00 0.00 O ATOM 1061 CB GLU A 66 7.662 11.816 4.781 1.00 0.00 C ATOM 1062 CG GLU A 66 7.854 13.211 4.211 1.00 0.00 C ATOM 1063 CD GLU A 66 8.577 14.138 5.169 1.00 0.00 C ATOM 1064 OE1 GLU A 66 7.898 14.792 5.988 1.00 0.00 O ATOM 1065 OE2 GLU A 66 9.822 14.209 5.100 1.00 0.00 O ATOM 0 H GLU A 66 9.800 11.419 3.597 1.00 0.00 H new ATOM 0 HA GLU A 66 9.258 12.003 6.208 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.383 11.138 3.974 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.831 11.832 5.486 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.418 13.145 3.280 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.881 13.636 3.965 1.00 0.00 H new ATOM 1072 N CYS A 67 8.539 8.869 5.517 1.00 0.00 N ATOM 1073 CA CYS A 67 8.216 7.577 6.114 1.00 0.00 C ATOM 1074 C CYS A 67 9.120 7.289 7.308 1.00 0.00 C ATOM 1075 O CYS A 67 10.112 7.982 7.530 1.00 0.00 O ATOM 1076 CB CYS A 67 8.353 6.464 5.074 1.00 0.00 C ATOM 1077 SG CYS A 67 7.660 6.876 3.456 1.00 0.00 S ATOM 0 H CYS A 67 8.750 8.832 4.520 1.00 0.00 H new ATOM 0 HA CYS A 67 7.184 7.613 6.464 1.00 0.00 H new ATOM 0 HB2 CYS A 67 9.409 6.222 4.954 1.00 0.00 H new ATOM 0 HB3 CYS A 67 7.861 5.567 5.450 1.00 0.00 H new ATOM 0 HG CYS A 67 7.826 5.874 2.645 1.00 0.00 H new ATOM 1083 N ARG A 68 8.768 6.262 8.075 1.00 0.00 N ATOM 1084 CA ARG A 68 9.545 5.883 9.249 1.00 0.00 C ATOM 1085 C ARG A 68 11.020 5.716 8.893 1.00 0.00 C ATOM 1086 O ARG A 68 11.432 5.992 7.767 1.00 0.00 O ATOM 1087 CB ARG A 68 9.003 4.585 9.848 1.00 0.00 C ATOM 1088 CG ARG A 68 7.918 4.801 10.890 1.00 0.00 C ATOM 1089 CD ARG A 68 7.822 3.624 11.848 1.00 0.00 C ATOM 1090 NE ARG A 68 7.155 3.987 13.096 1.00 0.00 N ATOM 1091 CZ ARG A 68 7.135 3.208 14.171 1.00 0.00 C ATOM 1092 NH1 ARG A 68 7.742 2.029 14.152 1.00 0.00 N ATOM 1093 NH2 ARG A 68 6.508 3.607 15.270 1.00 0.00 N ATOM 0 H ARG A 68 7.950 5.678 7.904 1.00 0.00 H new ATOM 0 HA ARG A 68 9.455 6.680 9.987 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.606 3.963 9.046 1.00 0.00 H new ATOM 0 HB3 ARG A 68 9.826 4.033 10.302 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.127 5.712 11.451 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.959 4.946 10.393 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.277 2.810 11.369 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.823 3.252 12.067 1.00 0.00 H new ATOM 0 HE ARG A 68 6.679 4.888 13.144 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.226 1.718 13.310 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.725 1.433 14.980 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.040 4.513 15.290 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.493 3.007 16.095 1.00 0.00 H new ATOM 1107 N ASP A 69 11.808 5.262 9.861 1.00 0.00 N ATOM 1108 CA ASP A 69 13.237 5.057 9.651 1.00 0.00 C ATOM 1109 C ASP A 69 13.490 3.784 8.848 1.00 0.00 C ATOM 1110 O ASP A 69 14.375 2.995 9.181 1.00 0.00 O ATOM 1111 CB ASP A 69 13.966 4.982 10.993 1.00 0.00 C ATOM 1112 CG ASP A 69 13.858 6.271 11.783 1.00 0.00 C ATOM 1113 OD1 ASP A 69 12.738 6.815 11.881 1.00 0.00 O ATOM 1114 OD2 ASP A 69 14.893 6.736 12.304 1.00 0.00 O ATOM 0 H ASP A 69 11.482 5.029 10.799 1.00 0.00 H new ATOM 0 HA ASP A 69 13.622 5.905 9.085 1.00 0.00 H new ATOM 0 HB2 ASP A 69 13.554 4.163 11.582 1.00 0.00 H new ATOM 0 HB3 ASP A 69 15.017 4.752 10.820 1.00 0.00 H new ATOM 1119 N ILE A 70 12.708 3.591 7.792 1.00 0.00 N ATOM 1120 CA ILE A 70 12.849 2.415 6.942 1.00 0.00 C ATOM 1121 C ILE A 70 13.856 2.661 5.824 1.00 0.00 C ATOM 1122 O ILE A 70 14.505 3.706 5.780 1.00 0.00 O ATOM 1123 CB ILE A 70 11.500 2.004 6.322 1.00 0.00 C ATOM 1124 CG1 ILE A 70 11.145 2.933 5.159 1.00 0.00 C ATOM 1125 CG2 ILE A 70 10.404 2.024 7.377 1.00 0.00 C ATOM 1126 CD1 ILE A 70 9.787 2.653 4.555 1.00 0.00 C ATOM 0 H ILE A 70 11.970 4.234 7.504 1.00 0.00 H new ATOM 0 HA ILE A 70 13.208 1.607 7.579 1.00 0.00 H new ATOM 0 HB ILE A 70 11.588 0.988 5.937 1.00 0.00 H new ATOM 0 HG12 ILE A 70 11.173 3.965 5.508 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.905 2.838 4.384 1.00 0.00 H new ATOM 0 HG21 ILE A 70 9.457 1.731 6.923 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.655 1.326 8.176 1.00 0.00 H new ATOM 0 HG23 ILE A 70 10.314 3.029 7.789 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.602 3.349 3.737 1.00 0.00 H new ATOM 0 HD12 ILE A 70 9.761 1.632 4.175 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.017 2.776 5.317 1.00 0.00 H new ATOM 1138 N GLN A 71 13.979 1.693 4.922 1.00 0.00 N ATOM 1139 CA GLN A 71 14.907 1.806 3.803 1.00 0.00 C ATOM 1140 C GLN A 71 14.356 1.102 2.567 1.00 0.00 C ATOM 1141 O GLN A 71 13.748 0.035 2.649 1.00 0.00 O ATOM 1142 CB GLN A 71 16.266 1.214 4.178 1.00 0.00 C ATOM 1143 CG GLN A 71 16.243 -0.295 4.363 1.00 0.00 C ATOM 1144 CD GLN A 71 17.395 -0.797 5.211 1.00 0.00 C ATOM 1145 OE1 GLN A 71 17.201 -1.234 6.346 1.00 0.00 O ATOM 1146 NE2 GLN A 71 18.603 -0.737 4.664 1.00 0.00 N ATOM 0 H GLN A 71 13.448 0.822 4.944 1.00 0.00 H new ATOM 0 HA GLN A 71 15.031 2.864 3.572 1.00 0.00 H new ATOM 0 HB2 GLN A 71 16.989 1.465 3.402 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.614 1.679 5.100 1.00 0.00 H new ATOM 0 HG2 GLN A 71 15.301 -0.586 4.828 1.00 0.00 H new ATOM 0 HG3 GLN A 71 16.279 -0.777 3.386 1.00 0.00 H new ATOM 0 HE21 GLN A 71 18.718 -0.367 3.720 1.00 0.00 H new ATOM 0 HE22 GLN A 71 19.416 -1.061 5.187 1.00 0.00 H new ATOM 1155 N PRO A 72 14.573 1.713 1.392 1.00 0.00 N ATOM 1156 CA PRO A 72 14.106 1.162 0.116 1.00 0.00 C ATOM 1157 C PRO A 72 14.869 -0.096 -0.286 1.00 0.00 C ATOM 1158 O PRO A 72 16.048 -0.263 0.028 1.00 0.00 O ATOM 1159 CB PRO A 72 14.379 2.293 -0.879 1.00 0.00 C ATOM 1160 CG PRO A 72 15.490 3.075 -0.268 1.00 0.00 C ATOM 1161 CD PRO A 72 15.290 2.987 1.219 1.00 0.00 C ATOM 0 HA PRO A 72 13.060 0.858 0.161 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.661 1.901 -1.856 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.494 2.912 -1.027 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.459 2.667 -0.556 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.468 4.112 -0.604 1.00 0.00 H new ATOM 0 HD2 PRO A 72 16.240 2.989 1.753 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.710 3.829 1.597 1.00 0.00 H new ATOM 1169 N PRO A 73 14.183 -1.003 -0.997 1.00 0.00 N ATOM 1170 CA PRO A 73 14.777 -2.261 -1.458 1.00 0.00 C ATOM 1171 C PRO A 73 15.817 -2.045 -2.552 1.00 0.00 C ATOM 1172 O PRO A 73 16.267 -0.922 -2.780 1.00 0.00 O ATOM 1173 CB PRO A 73 13.578 -3.039 -2.006 1.00 0.00 C ATOM 1174 CG PRO A 73 12.590 -1.992 -2.390 1.00 0.00 C ATOM 1175 CD PRO A 73 12.775 -0.869 -1.407 1.00 0.00 C ATOM 0 HA PRO A 73 15.309 -2.777 -0.659 1.00 0.00 H new ATOM 0 HB2 PRO A 73 13.861 -3.650 -2.863 1.00 0.00 H new ATOM 0 HB3 PRO A 73 13.168 -3.714 -1.255 1.00 0.00 H new ATOM 0 HG2 PRO A 73 12.761 -1.650 -3.411 1.00 0.00 H new ATOM 0 HG3 PRO A 73 11.573 -2.382 -2.351 1.00 0.00 H new ATOM 0 HD2 PRO A 73 12.580 0.101 -1.864 1.00 0.00 H new ATOM 0 HD3 PRO A 73 12.098 -0.963 -0.558 1.00 0.00 H new ATOM 1183 N ASP A 74 16.193 -3.126 -3.226 1.00 0.00 N ATOM 1184 CA ASP A 74 17.180 -3.054 -4.298 1.00 0.00 C ATOM 1185 C ASP A 74 16.542 -2.553 -5.590 1.00 0.00 C ATOM 1186 O ASP A 74 15.344 -2.726 -5.811 1.00 0.00 O ATOM 1187 CB ASP A 74 17.816 -4.426 -4.527 1.00 0.00 C ATOM 1188 CG ASP A 74 18.919 -4.725 -3.530 1.00 0.00 C ATOM 1189 OD1 ASP A 74 18.614 -5.289 -2.458 1.00 0.00 O ATOM 1190 OD2 ASP A 74 20.088 -4.397 -3.823 1.00 0.00 O ATOM 0 H ASP A 74 15.830 -4.063 -3.049 1.00 0.00 H new ATOM 0 HA ASP A 74 17.955 -2.348 -3.999 1.00 0.00 H new ATOM 0 HB2 ASP A 74 17.048 -5.196 -4.457 1.00 0.00 H new ATOM 0 HB3 ASP A 74 18.221 -4.472 -5.538 1.00 0.00 H new ATOM 1195 N GLY A 75 17.352 -1.931 -6.441 1.00 0.00 N ATOM 1196 CA GLY A 75 16.849 -1.413 -7.700 1.00 0.00 C ATOM 1197 C GLY A 75 15.632 -0.528 -7.519 1.00 0.00 C ATOM 1198 O GLY A 75 14.793 -0.422 -8.413 1.00 0.00 O ATOM 0 H GLY A 75 18.347 -1.777 -6.281 1.00 0.00 H new ATOM 0 HA2 GLY A 75 17.636 -0.845 -8.196 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.594 -2.246 -8.356 1.00 0.00 H new ATOM 1202 N LYS A 76 15.533 0.108 -6.356 1.00 0.00 N ATOM 1203 CA LYS A 76 14.410 0.988 -6.058 1.00 0.00 C ATOM 1204 C LYS A 76 14.873 2.218 -5.284 1.00 0.00 C ATOM 1205 O LYS A 76 15.565 2.119 -4.271 1.00 0.00 O ATOM 1206 CB LYS A 76 13.346 0.237 -5.254 1.00 0.00 C ATOM 1207 CG LYS A 76 12.661 -0.870 -6.037 1.00 0.00 C ATOM 1208 CD LYS A 76 11.601 -0.317 -6.975 1.00 0.00 C ATOM 1209 CE LYS A 76 10.487 -1.325 -7.212 1.00 0.00 C ATOM 1210 NZ LYS A 76 10.851 -2.319 -8.259 1.00 0.00 N ATOM 0 H LYS A 76 16.218 0.030 -5.604 1.00 0.00 H new ATOM 0 HA LYS A 76 13.978 1.317 -7.003 1.00 0.00 H new ATOM 0 HB2 LYS A 76 13.809 -0.191 -4.365 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.594 0.947 -4.911 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.404 -1.423 -6.612 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.203 -1.576 -5.345 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.183 0.597 -6.554 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.060 -0.049 -7.927 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.263 -1.845 -6.280 1.00 0.00 H new ATOM 0 HE3 LYS A 76 9.580 -0.800 -7.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.066 -2.988 -8.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.040 -1.826 -9.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.702 -2.838 -7.964 1.00 0.00 H new ATOM 1224 N PRO A 77 14.482 3.406 -5.770 1.00 0.00 N ATOM 1225 CA PRO A 77 14.844 4.678 -5.137 1.00 0.00 C ATOM 1226 C PRO A 77 14.139 4.882 -3.801 1.00 0.00 C ATOM 1227 O PRO A 77 13.465 3.981 -3.300 1.00 0.00 O ATOM 1228 CB PRO A 77 14.378 5.724 -6.153 1.00 0.00 C ATOM 1229 CG PRO A 77 13.286 5.055 -6.913 1.00 0.00 C ATOM 1230 CD PRO A 77 13.655 3.598 -6.973 1.00 0.00 C ATOM 0 HA PRO A 77 15.908 4.731 -4.907 1.00 0.00 H new ATOM 0 HB2 PRO A 77 14.020 6.626 -5.656 1.00 0.00 H new ATOM 0 HB3 PRO A 77 15.192 6.025 -6.812 1.00 0.00 H new ATOM 0 HG2 PRO A 77 12.325 5.194 -6.418 1.00 0.00 H new ATOM 0 HG3 PRO A 77 13.193 5.476 -7.914 1.00 0.00 H new ATOM 0 HD2 PRO A 77 12.772 2.959 -6.960 1.00 0.00 H new ATOM 0 HD3 PRO A 77 14.207 3.360 -7.882 1.00 0.00 H new ATOM 1238 N ARG A 78 14.298 6.071 -3.228 1.00 0.00 N ATOM 1239 CA ARG A 78 13.677 6.392 -1.949 1.00 0.00 C ATOM 1240 C ARG A 78 12.553 7.408 -2.131 1.00 0.00 C ATOM 1241 O ARG A 78 12.146 8.076 -1.180 1.00 0.00 O ATOM 1242 CB ARG A 78 14.721 6.940 -0.975 1.00 0.00 C ATOM 1243 CG ARG A 78 14.419 6.624 0.481 1.00 0.00 C ATOM 1244 CD ARG A 78 15.449 7.247 1.411 1.00 0.00 C ATOM 1245 NE ARG A 78 16.751 6.595 1.302 1.00 0.00 N ATOM 1246 CZ ARG A 78 17.822 6.973 1.990 1.00 0.00 C ATOM 1247 NH1 ARG A 78 17.747 7.995 2.831 1.00 0.00 N ATOM 1248 NH2 ARG A 78 18.972 6.329 1.836 1.00 0.00 N ATOM 0 H ARG A 78 14.852 6.828 -3.630 1.00 0.00 H new ATOM 0 HA ARG A 78 13.253 5.476 -1.539 1.00 0.00 H new ATOM 0 HB2 ARG A 78 15.697 6.529 -1.232 1.00 0.00 H new ATOM 0 HB3 ARG A 78 14.788 8.021 -1.097 1.00 0.00 H new ATOM 0 HG2 ARG A 78 13.426 6.994 0.736 1.00 0.00 H new ATOM 0 HG3 ARG A 78 14.404 5.544 0.625 1.00 0.00 H new ATOM 0 HD2 ARG A 78 15.554 8.307 1.178 1.00 0.00 H new ATOM 0 HD3 ARG A 78 15.095 7.180 2.440 1.00 0.00 H new ATOM 0 HE ARG A 78 16.843 5.806 0.662 1.00 0.00 H new ATOM 0 HH11 ARG A 78 16.865 8.493 2.951 1.00 0.00 H new ATOM 0 HH12 ARG A 78 18.571 8.283 3.358 1.00 0.00 H new ATOM 0 HH21 ARG A 78 19.034 5.543 1.189 1.00 0.00 H new ATOM 0 HH22 ARG A 78 19.794 6.620 2.365 1.00 0.00 H new ATOM 1262 N ASP A 79 12.056 7.519 -3.358 1.00 0.00 N ATOM 1263 CA ASP A 79 10.978 8.453 -3.664 1.00 0.00 C ATOM 1264 C ASP A 79 9.703 7.706 -4.042 1.00 0.00 C ATOM 1265 O ASP A 79 8.617 8.287 -4.069 1.00 0.00 O ATOM 1266 CB ASP A 79 11.393 9.388 -4.802 1.00 0.00 C ATOM 1267 CG ASP A 79 12.585 10.250 -4.437 1.00 0.00 C ATOM 1268 OD1 ASP A 79 12.404 11.219 -3.670 1.00 0.00 O ATOM 1269 OD2 ASP A 79 13.699 9.955 -4.918 1.00 0.00 O ATOM 0 H ASP A 79 12.382 6.974 -4.157 1.00 0.00 H new ATOM 0 HA ASP A 79 10.779 9.046 -2.771 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.633 8.796 -5.685 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.552 10.029 -5.067 1.00 0.00 H new ATOM 1274 N CYS A 80 9.842 6.418 -4.334 1.00 0.00 N ATOM 1275 CA CYS A 80 8.702 5.592 -4.713 1.00 0.00 C ATOM 1276 C CYS A 80 8.153 4.837 -3.507 1.00 0.00 C ATOM 1277 O CYS A 80 7.280 3.978 -3.642 1.00 0.00 O ATOM 1278 CB CYS A 80 9.102 4.604 -5.809 1.00 0.00 C ATOM 1279 SG CYS A 80 10.334 3.386 -5.291 1.00 0.00 S ATOM 0 H CYS A 80 10.734 5.923 -4.316 1.00 0.00 H new ATOM 0 HA CYS A 80 7.921 6.249 -5.095 1.00 0.00 H new ATOM 0 HB2 CYS A 80 8.211 4.080 -6.153 1.00 0.00 H new ATOM 0 HB3 CYS A 80 9.493 5.161 -6.660 1.00 0.00 H new ATOM 0 HG CYS A 80 9.761 2.469 -4.570 1.00 0.00 H new ATOM 1285 N LEU A 81 8.671 5.161 -2.327 1.00 0.00 N ATOM 1286 CA LEU A 81 8.235 4.512 -1.095 1.00 0.00 C ATOM 1287 C LEU A 81 6.882 5.053 -0.645 1.00 0.00 C ATOM 1288 O LEU A 81 6.579 6.232 -0.833 1.00 0.00 O ATOM 1289 CB LEU A 81 9.273 4.719 0.009 1.00 0.00 C ATOM 1290 CG LEU A 81 10.475 3.774 -0.014 1.00 0.00 C ATOM 1291 CD1 LEU A 81 11.555 4.261 0.940 1.00 0.00 C ATOM 1292 CD2 LEU A 81 10.046 2.357 0.341 1.00 0.00 C ATOM 0 H LEU A 81 9.393 5.869 -2.197 1.00 0.00 H new ATOM 0 HA LEU A 81 8.132 3.445 -1.292 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.640 5.743 -0.053 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.774 4.617 0.973 1.00 0.00 H new ATOM 0 HG LEU A 81 10.887 3.765 -1.023 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.402 3.576 0.910 1.00 0.00 H new ATOM 0 HD12 LEU A 81 11.882 5.257 0.641 1.00 0.00 H new ATOM 0 HD13 LEU A 81 11.155 4.300 1.953 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.914 1.698 0.320 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.608 2.349 1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.308 2.008 -0.382 1.00 0.00 H new ATOM 1304 N LEU A 82 6.072 4.184 -0.049 1.00 0.00 N ATOM 1305 CA LEU A 82 4.751 4.575 0.431 1.00 0.00 C ATOM 1306 C LEU A 82 4.452 3.935 1.783 1.00 0.00 C ATOM 1307 O LEU A 82 4.532 2.716 1.934 1.00 0.00 O ATOM 1308 CB LEU A 82 3.679 4.175 -0.584 1.00 0.00 C ATOM 1309 CG LEU A 82 2.307 4.826 -0.403 1.00 0.00 C ATOM 1310 CD1 LEU A 82 2.241 6.149 -1.149 1.00 0.00 C ATOM 1311 CD2 LEU A 82 1.206 3.889 -0.876 1.00 0.00 C ATOM 0 H LEU A 82 6.307 3.205 0.113 1.00 0.00 H new ATOM 0 HA LEU A 82 4.741 5.658 0.552 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.044 4.416 -1.582 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.554 3.093 -0.543 1.00 0.00 H new ATOM 0 HG LEU A 82 2.157 5.024 0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.257 6.597 -1.008 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.006 6.823 -0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.413 5.977 -2.211 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.237 4.369 -0.740 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.352 3.659 -1.931 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.239 2.967 -0.296 1.00 0.00 H new ATOM 1323 N GLN A 83 4.105 4.765 2.761 1.00 0.00 N ATOM 1324 CA GLN A 83 3.792 4.279 4.100 1.00 0.00 C ATOM 1325 C GLN A 83 2.396 4.721 4.527 1.00 0.00 C ATOM 1326 O GLN A 83 1.904 5.762 4.090 1.00 0.00 O ATOM 1327 CB GLN A 83 4.830 4.784 5.104 1.00 0.00 C ATOM 1328 CG GLN A 83 5.051 3.841 6.276 1.00 0.00 C ATOM 1329 CD GLN A 83 6.293 4.184 7.074 1.00 0.00 C ATOM 1330 OE1 GLN A 83 6.237 4.958 8.030 1.00 0.00 O ATOM 1331 NE2 GLN A 83 7.425 3.608 6.685 1.00 0.00 N ATOM 0 H GLN A 83 4.033 5.777 2.652 1.00 0.00 H new ATOM 0 HA GLN A 83 3.817 3.189 4.079 1.00 0.00 H new ATOM 0 HB2 GLN A 83 5.778 4.938 4.588 1.00 0.00 H new ATOM 0 HB3 GLN A 83 4.513 5.755 5.484 1.00 0.00 H new ATOM 0 HG2 GLN A 83 4.181 3.873 6.932 1.00 0.00 H new ATOM 0 HG3 GLN A 83 5.133 2.819 5.905 1.00 0.00 H new ATOM 0 HE21 GLN A 83 7.426 2.973 5.887 1.00 0.00 H new ATOM 0 HE22 GLN A 83 8.293 3.801 7.184 1.00 0.00 H new ATOM 1340 N ILE A 84 1.765 3.925 5.383 1.00 0.00 N ATOM 1341 CA ILE A 84 0.426 4.235 5.869 1.00 0.00 C ATOM 1342 C ILE A 84 0.383 4.244 7.393 1.00 0.00 C ATOM 1343 O ILE A 84 0.465 3.196 8.034 1.00 0.00 O ATOM 1344 CB ILE A 84 -0.612 3.226 5.343 1.00 0.00 C ATOM 1345 CG1 ILE A 84 -0.382 2.952 3.856 1.00 0.00 C ATOM 1346 CG2 ILE A 84 -2.022 3.745 5.580 1.00 0.00 C ATOM 1347 CD1 ILE A 84 -1.083 3.935 2.945 1.00 0.00 C ATOM 0 H ILE A 84 2.159 3.061 5.754 1.00 0.00 H new ATOM 0 HA ILE A 84 0.177 5.228 5.495 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.494 2.289 5.888 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.688 2.979 3.651 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.726 1.944 3.623 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.744 3.021 5.203 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.180 3.893 6.648 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.153 4.693 5.059 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.876 3.680 1.906 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -2.158 3.892 3.122 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.722 4.943 3.150 1.00 0.00 H new ATOM 1359 N VAL A 85 0.253 5.435 7.969 1.00 0.00 N ATOM 1360 CA VAL A 85 0.196 5.581 9.419 1.00 0.00 C ATOM 1361 C VAL A 85 -1.188 5.228 9.953 1.00 0.00 C ATOM 1362 O VAL A 85 -2.165 5.930 9.686 1.00 0.00 O ATOM 1363 CB VAL A 85 0.551 7.015 9.853 1.00 0.00 C ATOM 1364 CG1 VAL A 85 0.502 7.142 11.368 1.00 0.00 C ATOM 1365 CG2 VAL A 85 1.921 7.408 9.321 1.00 0.00 C ATOM 0 H VAL A 85 0.185 6.313 7.454 1.00 0.00 H new ATOM 0 HA VAL A 85 0.930 4.891 9.836 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.187 7.697 9.431 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.756 8.162 11.656 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.502 6.904 11.721 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.217 6.451 11.814 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.156 8.424 9.637 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.673 6.723 9.712 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.916 7.358 8.232 1.00 0.00 H new ATOM 1375 N CYS A 86 -1.265 4.138 10.708 1.00 0.00 N ATOM 1376 CA CYS A 86 -2.530 3.692 11.280 1.00 0.00 C ATOM 1377 C CYS A 86 -2.855 4.467 12.552 1.00 0.00 C ATOM 1378 O CYS A 86 -1.990 5.129 13.126 1.00 0.00 O ATOM 1379 CB CYS A 86 -2.478 2.193 11.580 1.00 0.00 C ATOM 1380 SG CYS A 86 -2.953 1.143 10.187 1.00 0.00 S ATOM 0 H CYS A 86 -0.466 3.547 10.938 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.317 3.882 10.550 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -1.467 1.931 11.890 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -3.135 1.979 12.423 1.00 0.00 H new ATOM 0 HG CYS A 86 -4.225 0.882 10.254 1.00 0.00 H new ATOM 1386 N ARG A 87 -4.108 4.381 12.987 1.00 0.00 N ATOM 1387 CA ARG A 87 -4.548 5.077 14.191 1.00 0.00 C ATOM 1388 C ARG A 87 -3.653 4.732 15.377 1.00 0.00 C ATOM 1389 O ARG A 87 -2.844 5.549 15.815 1.00 0.00 O ATOM 1390 CB ARG A 87 -6.000 4.717 14.512 1.00 0.00 C ATOM 1391 CG ARG A 87 -7.015 5.458 13.656 1.00 0.00 C ATOM 1392 CD ARG A 87 -8.435 5.220 14.146 1.00 0.00 C ATOM 1393 NE ARG A 87 -8.843 6.207 15.142 1.00 0.00 N ATOM 1394 CZ ARG A 87 -9.020 7.495 14.871 1.00 0.00 C ATOM 1395 NH1 ARG A 87 -8.825 7.950 13.641 1.00 0.00 N ATOM 1396 NH2 ARG A 87 -9.392 8.331 15.832 1.00 0.00 N ATOM 0 H ARG A 87 -4.836 3.837 12.524 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.479 6.149 14.006 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.138 3.644 14.377 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.196 4.934 15.562 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.797 6.526 13.673 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.927 5.131 12.620 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -9.121 5.254 13.300 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.508 4.221 14.575 1.00 0.00 H new ATOM 0 HE ARG A 87 -9.001 5.890 16.098 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.538 7.310 12.900 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.962 8.940 13.436 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.542 7.984 16.780 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -9.528 9.320 15.623 1.00 0.00 H new ATOM 1410 N ASP A 88 -3.804 3.516 15.891 1.00 0.00 N ATOM 1411 CA ASP A 88 -3.009 3.062 17.026 1.00 0.00 C ATOM 1412 C ASP A 88 -1.532 3.381 16.818 1.00 0.00 C ATOM 1413 O ASP A 88 -0.974 4.249 17.487 1.00 0.00 O ATOM 1414 CB ASP A 88 -3.194 1.558 17.236 1.00 0.00 C ATOM 1415 CG ASP A 88 -4.650 1.173 17.412 1.00 0.00 C ATOM 1416 OD1 ASP A 88 -5.501 1.721 16.681 1.00 0.00 O ATOM 1417 OD2 ASP A 88 -4.939 0.325 18.282 1.00 0.00 O ATOM 0 H ASP A 88 -4.469 2.827 15.540 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.354 3.591 17.914 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -2.780 1.021 16.383 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -2.630 1.245 18.114 1.00 0.00 H new ATOM 1422 N GLY A 89 -0.905 2.672 15.885 1.00 0.00 N ATOM 1423 CA GLY A 89 0.502 2.893 15.606 1.00 0.00 C ATOM 1424 C GLY A 89 1.086 1.834 14.691 1.00 0.00 C ATOM 1425 O GLY A 89 2.266 1.498 14.791 1.00 0.00 O ATOM 0 H GLY A 89 -1.346 1.948 15.317 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.629 3.874 15.148 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.058 2.905 16.544 1.00 0.00 H new ATOM 1429 N LYS A 90 0.257 1.305 13.797 1.00 0.00 N ATOM 1430 CA LYS A 90 0.696 0.277 12.861 1.00 0.00 C ATOM 1431 C LYS A 90 1.196 0.902 11.562 1.00 0.00 C ATOM 1432 O LYS A 90 0.404 1.321 10.717 1.00 0.00 O ATOM 1433 CB LYS A 90 -0.449 -0.694 12.564 1.00 0.00 C ATOM 1434 CG LYS A 90 -0.104 -1.738 11.516 1.00 0.00 C ATOM 1435 CD LYS A 90 -1.344 -2.222 10.783 1.00 0.00 C ATOM 1436 CE LYS A 90 -1.972 -3.419 11.479 1.00 0.00 C ATOM 1437 NZ LYS A 90 -2.586 -3.043 12.783 1.00 0.00 N ATOM 0 H LYS A 90 -0.723 1.572 13.701 1.00 0.00 H new ATOM 0 HA LYS A 90 1.519 -0.271 13.321 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.735 -1.198 13.487 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.317 -0.127 12.228 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.602 -1.317 10.800 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.392 -2.584 11.993 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -2.071 -1.412 10.723 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.081 -2.491 9.760 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.732 -3.857 10.833 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.213 -4.184 11.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -3.337 -3.722 13.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -1.858 -3.056 13.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -2.992 -2.088 12.713 1.00 0.00 H new ATOM 1451 N THR A 91 2.515 0.961 11.408 1.00 0.00 N ATOM 1452 CA THR A 91 3.121 1.535 10.213 1.00 0.00 C ATOM 1453 C THR A 91 3.427 0.456 9.181 1.00 0.00 C ATOM 1454 O THR A 91 4.202 -0.465 9.442 1.00 0.00 O ATOM 1455 CB THR A 91 4.419 2.291 10.549 1.00 0.00 C ATOM 1456 OG1 THR A 91 4.184 3.220 11.613 1.00 0.00 O ATOM 1457 CG2 THR A 91 4.944 3.033 9.329 1.00 0.00 C ATOM 0 H THR A 91 3.185 0.618 12.097 1.00 0.00 H new ATOM 0 HA THR A 91 2.398 2.237 9.798 1.00 0.00 H new ATOM 0 HB THR A 91 5.167 1.562 10.862 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.964 3.805 11.715 1.00 0.00 H new ATOM 0 HG21 THR A 91 5.862 3.560 9.591 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.150 2.320 8.530 1.00 0.00 H new ATOM 0 HG23 THR A 91 4.197 3.751 8.991 1.00 0.00 H new ATOM 1465 N ILE A 92 2.815 0.575 8.007 1.00 0.00 N ATOM 1466 CA ILE A 92 3.024 -0.389 6.935 1.00 0.00 C ATOM 1467 C ILE A 92 3.907 0.193 5.836 1.00 0.00 C ATOM 1468 O ILE A 92 3.539 1.168 5.182 1.00 0.00 O ATOM 1469 CB ILE A 92 1.689 -0.844 6.318 1.00 0.00 C ATOM 1470 CG1 ILE A 92 0.802 -1.489 7.385 1.00 0.00 C ATOM 1471 CG2 ILE A 92 1.937 -1.814 5.172 1.00 0.00 C ATOM 1472 CD1 ILE A 92 -0.636 -1.668 6.950 1.00 0.00 C ATOM 0 H ILE A 92 2.170 1.330 7.775 1.00 0.00 H new ATOM 0 HA ILE A 92 3.522 -1.251 7.379 1.00 0.00 H new ATOM 0 HB ILE A 92 1.173 0.031 5.923 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.216 -2.462 7.650 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.827 -0.875 8.286 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.983 -2.126 4.747 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.534 -1.324 4.403 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.472 -2.688 5.544 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.205 -2.131 7.756 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.068 -0.696 6.712 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.672 -2.307 6.067 1.00 0.00 H new ATOM 1484 N SER A 93 5.073 -0.413 5.638 1.00 0.00 N ATOM 1485 CA SER A 93 6.010 0.046 4.619 1.00 0.00 C ATOM 1486 C SER A 93 5.681 -0.569 3.262 1.00 0.00 C ATOM 1487 O SER A 93 5.670 -1.791 3.107 1.00 0.00 O ATOM 1488 CB SER A 93 7.444 -0.308 5.018 1.00 0.00 C ATOM 1489 OG SER A 93 7.756 0.201 6.303 1.00 0.00 O ATOM 0 H SER A 93 5.392 -1.223 6.170 1.00 0.00 H new ATOM 0 HA SER A 93 5.920 1.129 4.539 1.00 0.00 H new ATOM 0 HB2 SER A 93 7.570 -1.391 5.012 1.00 0.00 H new ATOM 0 HB3 SER A 93 8.140 0.098 4.284 1.00 0.00 H new ATOM 0 HG SER A 93 8.587 -0.207 6.623 1.00 0.00 H new ATOM 1495 N LEU A 94 5.413 0.287 2.282 1.00 0.00 N ATOM 1496 CA LEU A 94 5.084 -0.170 0.936 1.00 0.00 C ATOM 1497 C LEU A 94 6.032 0.438 -0.093 1.00 0.00 C ATOM 1498 O LEU A 94 6.645 1.478 0.151 1.00 0.00 O ATOM 1499 CB LEU A 94 3.638 0.193 0.592 1.00 0.00 C ATOM 1500 CG LEU A 94 2.583 -0.204 1.625 1.00 0.00 C ATOM 1501 CD1 LEU A 94 1.212 0.310 1.212 1.00 0.00 C ATOM 1502 CD2 LEU A 94 2.556 -1.715 1.805 1.00 0.00 C ATOM 0 H LEU A 94 5.417 1.301 2.394 1.00 0.00 H new ATOM 0 HA LEU A 94 5.196 -1.254 0.910 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.581 1.271 0.440 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.383 -0.277 -0.358 1.00 0.00 H new ATOM 0 HG LEU A 94 2.847 0.251 2.580 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.474 0.018 1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.239 1.397 1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.939 -0.116 0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.800 -1.980 2.544 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.317 -2.191 0.854 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.533 -2.058 2.147 1.00 0.00 H new ATOM 1514 N CYS A 95 6.145 -0.216 -1.244 1.00 0.00 N ATOM 1515 CA CYS A 95 7.017 0.262 -2.311 1.00 0.00 C ATOM 1516 C CYS A 95 6.331 0.142 -3.668 1.00 0.00 C ATOM 1517 O CYS A 95 5.658 -0.849 -3.950 1.00 0.00 O ATOM 1518 CB CYS A 95 8.328 -0.527 -2.318 1.00 0.00 C ATOM 1519 SG CYS A 95 9.703 0.334 -3.116 1.00 0.00 S ATOM 0 H CYS A 95 5.644 -1.078 -1.462 1.00 0.00 H new ATOM 0 HA CYS A 95 7.235 1.314 -2.125 1.00 0.00 H new ATOM 0 HB2 CYS A 95 8.606 -0.758 -1.290 1.00 0.00 H new ATOM 0 HB3 CYS A 95 8.165 -1.478 -2.826 1.00 0.00 H new ATOM 0 HG CYS A 95 10.515 -0.536 -3.639 1.00 0.00 H new ATOM 1525 N ALA A 96 6.505 1.160 -4.505 1.00 0.00 N ATOM 1526 CA ALA A 96 5.902 1.170 -5.832 1.00 0.00 C ATOM 1527 C ALA A 96 6.952 0.930 -6.913 1.00 0.00 C ATOM 1528 O ALA A 96 8.097 1.360 -6.783 1.00 0.00 O ATOM 1529 CB ALA A 96 5.182 2.488 -6.076 1.00 0.00 C ATOM 0 H ALA A 96 7.059 1.988 -4.287 1.00 0.00 H new ATOM 0 HA ALA A 96 5.176 0.359 -5.880 1.00 0.00 H new ATOM 0 HB1 ALA A 96 4.737 2.481 -7.071 1.00 0.00 H new ATOM 0 HB2 ALA A 96 4.399 2.619 -5.329 1.00 0.00 H new ATOM 0 HB3 ALA A 96 5.894 3.310 -6.003 1.00 0.00 H new ATOM 1535 N GLU A 97 6.552 0.241 -7.977 1.00 0.00 N ATOM 1536 CA GLU A 97 7.460 -0.056 -9.079 1.00 0.00 C ATOM 1537 C GLU A 97 8.383 1.126 -9.357 1.00 0.00 C ATOM 1538 O GLU A 97 9.605 0.981 -9.383 1.00 0.00 O ATOM 1539 CB GLU A 97 6.668 -0.407 -10.340 1.00 0.00 C ATOM 1540 CG GLU A 97 6.354 -1.888 -10.469 1.00 0.00 C ATOM 1541 CD GLU A 97 5.381 -2.372 -9.412 1.00 0.00 C ATOM 1542 OE1 GLU A 97 5.698 -2.241 -8.211 1.00 0.00 O ATOM 1543 OE2 GLU A 97 4.303 -2.881 -9.785 1.00 0.00 O ATOM 0 H GLU A 97 5.607 -0.122 -8.099 1.00 0.00 H new ATOM 0 HA GLU A 97 8.071 -0.912 -8.792 1.00 0.00 H new ATOM 0 HB2 GLU A 97 5.734 0.155 -10.341 1.00 0.00 H new ATOM 0 HB3 GLU A 97 7.233 -0.087 -11.215 1.00 0.00 H new ATOM 0 HG2 GLU A 97 5.937 -2.083 -11.457 1.00 0.00 H new ATOM 0 HG3 GLU A 97 7.279 -2.460 -10.395 1.00 0.00 H new ATOM 1550 N SER A 98 7.790 2.297 -9.564 1.00 0.00 N ATOM 1551 CA SER A 98 8.558 3.505 -9.845 1.00 0.00 C ATOM 1552 C SER A 98 7.925 4.719 -9.172 1.00 0.00 C ATOM 1553 O SER A 98 6.896 4.610 -8.506 1.00 0.00 O ATOM 1554 CB SER A 98 8.652 3.735 -11.355 1.00 0.00 C ATOM 1555 OG SER A 98 9.770 4.544 -11.678 1.00 0.00 O ATOM 0 H SER A 98 6.780 2.435 -9.542 1.00 0.00 H new ATOM 0 HA SER A 98 9.562 3.370 -9.442 1.00 0.00 H new ATOM 0 HB2 SER A 98 8.732 2.777 -11.868 1.00 0.00 H new ATOM 0 HB3 SER A 98 7.739 4.212 -11.711 1.00 0.00 H new ATOM 0 HG SER A 98 9.809 4.675 -12.648 1.00 0.00 H new ATOM 1561 N THR A 99 8.550 5.879 -9.352 1.00 0.00 N ATOM 1562 CA THR A 99 8.051 7.115 -8.763 1.00 0.00 C ATOM 1563 C THR A 99 6.603 7.371 -9.165 1.00 0.00 C ATOM 1564 O THR A 99 5.748 7.622 -8.315 1.00 0.00 O ATOM 1565 CB THR A 99 8.909 8.324 -9.182 1.00 0.00 C ATOM 1566 OG1 THR A 99 10.270 8.119 -8.786 1.00 0.00 O ATOM 1567 CG2 THR A 99 8.381 9.606 -8.555 1.00 0.00 C ATOM 0 H THR A 99 9.403 5.988 -9.901 1.00 0.00 H new ATOM 0 HA THR A 99 8.109 6.995 -7.681 1.00 0.00 H new ATOM 0 HB THR A 99 8.857 8.420 -10.266 1.00 0.00 H new ATOM 0 HG1 THR A 99 10.809 8.891 -9.057 1.00 0.00 H new ATOM 0 HG21 THR A 99 9.003 10.446 -8.865 1.00 0.00 H new ATOM 0 HG22 THR A 99 7.355 9.775 -8.881 1.00 0.00 H new ATOM 0 HG23 THR A 99 8.407 9.517 -7.469 1.00 0.00 H new ATOM 1575 N ASP A 100 6.334 7.304 -10.464 1.00 0.00 N ATOM 1576 CA ASP A 100 4.988 7.527 -10.979 1.00 0.00 C ATOM 1577 C ASP A 100 3.972 6.667 -10.233 1.00 0.00 C ATOM 1578 O ASP A 100 2.918 7.151 -9.821 1.00 0.00 O ATOM 1579 CB ASP A 100 4.934 7.219 -12.476 1.00 0.00 C ATOM 1580 CG ASP A 100 3.703 7.801 -13.143 1.00 0.00 C ATOM 1581 OD1 ASP A 100 2.580 7.453 -12.722 1.00 0.00 O ATOM 1582 OD2 ASP A 100 3.862 8.603 -14.086 1.00 0.00 O ATOM 0 H ASP A 100 7.030 7.097 -11.180 1.00 0.00 H new ATOM 0 HA ASP A 100 4.735 8.576 -10.823 1.00 0.00 H new ATOM 0 HB2 ASP A 100 5.827 7.617 -12.958 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.947 6.139 -12.622 1.00 0.00 H new ATOM 1587 N ASP A 101 4.296 5.389 -10.065 1.00 0.00 N ATOM 1588 CA ASP A 101 3.412 4.462 -9.369 1.00 0.00 C ATOM 1589 C ASP A 101 3.079 4.973 -7.971 1.00 0.00 C ATOM 1590 O ASP A 101 1.909 5.083 -7.601 1.00 0.00 O ATOM 1591 CB ASP A 101 4.058 3.078 -9.279 1.00 0.00 C ATOM 1592 CG ASP A 101 3.918 2.289 -10.565 1.00 0.00 C ATOM 1593 OD1 ASP A 101 4.204 2.853 -11.642 1.00 0.00 O ATOM 1594 OD2 ASP A 101 3.522 1.107 -10.495 1.00 0.00 O ATOM 0 H ASP A 101 5.164 4.972 -10.401 1.00 0.00 H new ATOM 0 HA ASP A 101 2.486 4.386 -9.938 1.00 0.00 H new ATOM 0 HB2 ASP A 101 5.115 3.189 -9.037 1.00 0.00 H new ATOM 0 HB3 ASP A 101 3.601 2.520 -8.462 1.00 0.00 H new ATOM 1599 N CYS A 102 4.114 5.284 -7.198 1.00 0.00 N ATOM 1600 CA CYS A 102 3.932 5.782 -5.840 1.00 0.00 C ATOM 1601 C CYS A 102 3.002 6.991 -5.824 1.00 0.00 C ATOM 1602 O CYS A 102 1.966 6.983 -5.159 1.00 0.00 O ATOM 1603 CB CYS A 102 5.282 6.154 -5.225 1.00 0.00 C ATOM 1604 SG CYS A 102 5.198 6.603 -3.475 1.00 0.00 S ATOM 0 H CYS A 102 5.088 5.200 -7.489 1.00 0.00 H new ATOM 0 HA CYS A 102 3.477 4.989 -5.247 1.00 0.00 H new ATOM 0 HB2 CYS A 102 5.966 5.313 -5.341 1.00 0.00 H new ATOM 0 HB3 CYS A 102 5.706 6.989 -5.783 1.00 0.00 H new ATOM 0 HG CYS A 102 6.385 6.920 -3.051 1.00 0.00 H new ATOM 1610 N LEU A 103 3.380 8.031 -6.560 1.00 0.00 N ATOM 1611 CA LEU A 103 2.581 9.249 -6.630 1.00 0.00 C ATOM 1612 C LEU A 103 1.113 8.924 -6.883 1.00 0.00 C ATOM 1613 O LEU A 103 0.223 9.495 -6.253 1.00 0.00 O ATOM 1614 CB LEU A 103 3.110 10.166 -7.734 1.00 0.00 C ATOM 1615 CG LEU A 103 4.275 11.079 -7.349 1.00 0.00 C ATOM 1616 CD1 LEU A 103 4.956 11.629 -8.592 1.00 0.00 C ATOM 1617 CD2 LEU A 103 3.791 12.214 -6.458 1.00 0.00 C ATOM 0 H LEU A 103 4.235 8.055 -7.116 1.00 0.00 H new ATOM 0 HA LEU A 103 2.660 9.761 -5.671 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.423 9.546 -8.574 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.288 10.789 -8.086 1.00 0.00 H new ATOM 0 HG LEU A 103 5.003 10.490 -6.791 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.782 12.276 -8.298 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.338 10.804 -9.193 1.00 0.00 H new ATOM 0 HD13 LEU A 103 4.237 12.202 -9.177 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.633 12.854 -6.194 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.043 12.801 -6.991 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.350 11.801 -5.551 1.00 0.00 H new ATOM 1629 N ALA A 104 0.867 8.001 -7.807 1.00 0.00 N ATOM 1630 CA ALA A 104 -0.493 7.597 -8.140 1.00 0.00 C ATOM 1631 C ALA A 104 -1.228 7.076 -6.909 1.00 0.00 C ATOM 1632 O ALA A 104 -2.348 7.496 -6.620 1.00 0.00 O ATOM 1633 CB ALA A 104 -0.476 6.539 -9.234 1.00 0.00 C ATOM 0 H ALA A 104 1.592 7.519 -8.338 1.00 0.00 H new ATOM 0 HA ALA A 104 -1.027 8.474 -8.506 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.498 6.246 -9.473 1.00 0.00 H new ATOM 0 HB2 ALA A 104 0.003 6.945 -10.125 1.00 0.00 H new ATOM 0 HB3 ALA A 104 0.080 5.667 -8.888 1.00 0.00 H new ATOM 1639 N TRP A 105 -0.590 6.161 -6.189 1.00 0.00 N ATOM 1640 CA TRP A 105 -1.185 5.582 -4.989 1.00 0.00 C ATOM 1641 C TRP A 105 -1.465 6.660 -3.947 1.00 0.00 C ATOM 1642 O TRP A 105 -2.581 6.773 -3.440 1.00 0.00 O ATOM 1643 CB TRP A 105 -0.261 4.514 -4.401 1.00 0.00 C ATOM 1644 CG TRP A 105 -0.518 3.142 -4.946 1.00 0.00 C ATOM 1645 CD1 TRP A 105 0.368 2.347 -5.615 1.00 0.00 C ATOM 1646 CD2 TRP A 105 -1.743 2.405 -4.868 1.00 0.00 C ATOM 1647 NE1 TRP A 105 -0.233 1.160 -5.959 1.00 0.00 N ATOM 1648 CE2 TRP A 105 -1.527 1.170 -5.511 1.00 0.00 C ATOM 1649 CE3 TRP A 105 -3.000 2.666 -4.316 1.00 0.00 C ATOM 1650 CZ2 TRP A 105 -2.523 0.202 -5.617 1.00 0.00 C ATOM 1651 CZ3 TRP A 105 -3.987 1.705 -4.423 1.00 0.00 C ATOM 1652 CH2 TRP A 105 -3.744 0.485 -5.068 1.00 0.00 C ATOM 0 H TRP A 105 0.338 5.804 -6.414 1.00 0.00 H new ATOM 0 HA TRP A 105 -2.131 5.119 -5.269 1.00 0.00 H new ATOM 0 HB2 TRP A 105 0.774 4.789 -4.602 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -0.382 4.496 -3.318 1.00 0.00 H new ATOM 0 HD1 TRP A 105 1.390 2.612 -5.841 1.00 0.00 H new ATOM 0 HE1 TRP A 105 0.213 0.395 -6.466 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -3.196 3.602 -3.815 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -2.338 -0.738 -6.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -4.963 1.898 -4.002 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -4.536 -0.246 -5.133 1.00 0.00 H new ATOM 1663 N LYS A 106 -0.445 7.450 -3.631 1.00 0.00 N ATOM 1664 CA LYS A 106 -0.581 8.520 -2.650 1.00 0.00 C ATOM 1665 C LYS A 106 -1.784 9.401 -2.969 1.00 0.00 C ATOM 1666 O LYS A 106 -2.689 9.555 -2.148 1.00 0.00 O ATOM 1667 CB LYS A 106 0.691 9.370 -2.612 1.00 0.00 C ATOM 1668 CG LYS A 106 0.544 10.649 -1.806 1.00 0.00 C ATOM 1669 CD LYS A 106 1.896 11.216 -1.407 1.00 0.00 C ATOM 1670 CE LYS A 106 1.751 12.535 -0.664 1.00 0.00 C ATOM 1671 NZ LYS A 106 1.600 12.332 0.803 1.00 0.00 N ATOM 0 H LYS A 106 0.486 7.369 -4.040 1.00 0.00 H new ATOM 0 HA LYS A 106 -0.736 8.064 -1.672 1.00 0.00 H new ATOM 0 HB2 LYS A 106 1.502 8.776 -2.191 1.00 0.00 H new ATOM 0 HB3 LYS A 106 0.979 9.624 -3.632 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -0.003 11.388 -2.391 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -0.046 10.450 -0.912 1.00 0.00 H new ATOM 0 HD2 LYS A 106 2.421 10.498 -0.777 1.00 0.00 H new ATOM 0 HD3 LYS A 106 2.507 11.364 -2.298 1.00 0.00 H new ATOM 0 HE2 LYS A 106 2.625 13.158 -0.856 1.00 0.00 H new ATOM 0 HE3 LYS A 106 0.885 13.074 -1.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 1.504 13.255 1.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 0.752 11.759 0.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 2.438 11.840 1.174 1.00 0.00 H new ATOM 1685 N PHE A 107 -1.790 9.976 -4.167 1.00 0.00 N ATOM 1686 CA PHE A 107 -2.884 10.841 -4.595 1.00 0.00 C ATOM 1687 C PHE A 107 -4.230 10.148 -4.409 1.00 0.00 C ATOM 1688 O PHE A 107 -5.182 10.741 -3.900 1.00 0.00 O ATOM 1689 CB PHE A 107 -2.702 11.242 -6.060 1.00 0.00 C ATOM 1690 CG PHE A 107 -1.555 12.186 -6.286 1.00 0.00 C ATOM 1691 CD1 PHE A 107 -1.381 13.291 -5.469 1.00 0.00 C ATOM 1692 CD2 PHE A 107 -0.653 11.968 -7.313 1.00 0.00 C ATOM 1693 CE1 PHE A 107 -0.328 14.162 -5.675 1.00 0.00 C ATOM 1694 CE2 PHE A 107 0.403 12.835 -7.524 1.00 0.00 C ATOM 1695 CZ PHE A 107 0.566 13.933 -6.703 1.00 0.00 C ATOM 0 H PHE A 107 -1.050 9.859 -4.859 1.00 0.00 H new ATOM 0 HA PHE A 107 -2.869 11.738 -3.976 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -2.546 10.344 -6.657 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.621 11.707 -6.418 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -2.076 13.474 -4.662 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -0.776 11.110 -7.957 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -0.204 15.021 -5.033 1.00 0.00 H new ATOM 0 HE2 PHE A 107 1.099 12.654 -8.330 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.391 14.611 -6.864 1.00 0.00 H new ATOM 1705 N THR A 108 -4.303 8.887 -4.825 1.00 0.00 N ATOM 1706 CA THR A 108 -5.532 8.113 -4.707 1.00 0.00 C ATOM 1707 C THR A 108 -6.000 8.043 -3.258 1.00 0.00 C ATOM 1708 O THR A 108 -7.133 8.410 -2.942 1.00 0.00 O ATOM 1709 CB THR A 108 -5.348 6.681 -5.244 1.00 0.00 C ATOM 1710 OG1 THR A 108 -4.792 6.721 -6.563 1.00 0.00 O ATOM 1711 CG2 THR A 108 -6.675 5.938 -5.270 1.00 0.00 C ATOM 0 H THR A 108 -3.525 8.380 -5.247 1.00 0.00 H new ATOM 0 HA THR A 108 -6.286 8.624 -5.306 1.00 0.00 H new ATOM 0 HB THR A 108 -4.667 6.151 -4.578 1.00 0.00 H new ATOM 0 HG1 THR A 108 -3.818 6.628 -6.510 1.00 0.00 H new ATOM 0 HG21 THR A 108 -6.520 4.929 -5.653 1.00 0.00 H new ATOM 0 HG22 THR A 108 -7.082 5.884 -4.260 1.00 0.00 H new ATOM 0 HG23 THR A 108 -7.376 6.467 -5.916 1.00 0.00 H new ATOM 1719 N LEU A 109 -5.123 7.571 -2.379 1.00 0.00 N ATOM 1720 CA LEU A 109 -5.447 7.454 -0.962 1.00 0.00 C ATOM 1721 C LEU A 109 -5.922 8.790 -0.400 1.00 0.00 C ATOM 1722 O LEU A 109 -6.960 8.862 0.258 1.00 0.00 O ATOM 1723 CB LEU A 109 -4.227 6.964 -0.179 1.00 0.00 C ATOM 1724 CG LEU A 109 -3.623 5.637 -0.640 1.00 0.00 C ATOM 1725 CD1 LEU A 109 -2.203 5.486 -0.115 1.00 0.00 C ATOM 1726 CD2 LEU A 109 -4.488 4.470 -0.186 1.00 0.00 C ATOM 0 H LEU A 109 -4.182 7.263 -2.623 1.00 0.00 H new ATOM 0 HA LEU A 109 -6.254 6.729 -0.858 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.454 7.730 -0.233 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.508 6.868 0.870 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.588 5.635 -1.729 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.789 4.536 -0.453 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.588 6.304 -0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.213 5.510 0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -4.042 3.534 -0.523 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.555 4.469 0.902 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -5.487 4.570 -0.611 1.00 0.00 H new ATOM 1738 N GLN A 110 -5.158 9.844 -0.666 1.00 0.00 N ATOM 1739 CA GLN A 110 -5.503 11.177 -0.187 1.00 0.00 C ATOM 1740 C GLN A 110 -6.945 11.527 -0.542 1.00 0.00 C ATOM 1741 O GLN A 110 -7.618 12.247 0.195 1.00 0.00 O ATOM 1742 CB GLN A 110 -4.553 12.218 -0.783 1.00 0.00 C ATOM 1743 CG GLN A 110 -3.182 12.236 -0.125 1.00 0.00 C ATOM 1744 CD GLN A 110 -3.161 13.043 1.157 1.00 0.00 C ATOM 1745 OE1 GLN A 110 -3.228 12.355 2.291 1.00 0.00 O flip ATOM 1746 NE2 GLN A 110 -3.085 14.272 1.130 1.00 0.00 N flip ATOM 0 H GLN A 110 -4.296 9.801 -1.210 1.00 0.00 H new ATOM 0 HA GLN A 110 -5.403 11.182 0.898 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -4.433 12.021 -1.848 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -5.005 13.206 -0.690 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -2.872 11.213 0.089 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -2.454 12.650 -0.822 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -3.035 14.760 0.236 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -3.072 14.801 2.002 1.00 0.00 H new ATOM 1755 N ASP A 111 -7.411 11.013 -1.674 1.00 0.00 N ATOM 1756 CA ASP A 111 -8.774 11.269 -2.127 1.00 0.00 C ATOM 1757 C ASP A 111 -9.763 10.347 -1.422 1.00 0.00 C ATOM 1758 O ASP A 111 -10.782 10.798 -0.897 1.00 0.00 O ATOM 1759 CB ASP A 111 -8.874 11.084 -3.642 1.00 0.00 C ATOM 1760 CG ASP A 111 -10.172 11.628 -4.206 1.00 0.00 C ATOM 1761 OD1 ASP A 111 -10.437 12.836 -4.027 1.00 0.00 O ATOM 1762 OD2 ASP A 111 -10.921 10.848 -4.829 1.00 0.00 O ATOM 0 H ASP A 111 -6.865 10.416 -2.296 1.00 0.00 H new ATOM 0 HA ASP A 111 -9.026 12.300 -1.878 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -8.034 11.585 -4.123 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -8.793 10.024 -3.882 1.00 0.00 H new ATOM 1767 N SER A 112 -9.457 9.054 -1.415 1.00 0.00 N ATOM 1768 CA SER A 112 -10.322 8.067 -0.778 1.00 0.00 C ATOM 1769 C SER A 112 -10.697 8.504 0.635 1.00 0.00 C ATOM 1770 O SER A 112 -11.761 8.152 1.143 1.00 0.00 O ATOM 1771 CB SER A 112 -9.631 6.703 -0.736 1.00 0.00 C ATOM 1772 OG SER A 112 -8.866 6.555 0.448 1.00 0.00 O ATOM 0 H SER A 112 -8.617 8.665 -1.843 1.00 0.00 H new ATOM 0 HA SER A 112 -11.235 7.986 -1.368 1.00 0.00 H new ATOM 0 HB2 SER A 112 -10.378 5.911 -0.791 1.00 0.00 H new ATOM 0 HB3 SER A 112 -8.985 6.592 -1.607 1.00 0.00 H new ATOM 0 HG SER A 112 -8.205 7.277 0.503 1.00 0.00 H new ATOM 1778 N ARG A 113 -9.814 9.273 1.263 1.00 0.00 N ATOM 1779 CA ARG A 113 -10.050 9.757 2.618 1.00 0.00 C ATOM 1780 C ARG A 113 -11.462 10.321 2.755 1.00 0.00 C ATOM 1781 O ARG A 113 -12.054 10.286 3.834 1.00 0.00 O ATOM 1782 CB ARG A 113 -9.023 10.830 2.985 1.00 0.00 C ATOM 1783 CG ARG A 113 -7.612 10.290 3.152 1.00 0.00 C ATOM 1784 CD ARG A 113 -6.636 11.392 3.533 1.00 0.00 C ATOM 1785 NE ARG A 113 -6.909 11.929 4.863 1.00 0.00 N ATOM 1786 CZ ARG A 113 -7.790 12.894 5.100 1.00 0.00 C ATOM 1787 NH1 ARG A 113 -8.482 13.424 4.100 1.00 0.00 N ATOM 1788 NH2 ARG A 113 -7.983 13.330 6.338 1.00 0.00 N ATOM 0 H ARG A 113 -8.929 9.574 0.855 1.00 0.00 H new ATOM 0 HA ARG A 113 -9.945 8.915 3.302 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -9.020 11.598 2.211 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -9.330 11.313 3.912 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -7.606 9.516 3.919 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -7.288 9.821 2.223 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -5.619 11.002 3.501 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -6.692 12.196 2.799 1.00 0.00 H new ATOM 0 HE ARG A 113 -6.395 11.541 5.654 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -8.338 13.090 3.147 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -9.158 14.165 4.284 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -7.454 12.924 7.110 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -8.660 14.071 6.518 1.00 0.00 H new ATOM 1802 N THR A 114 -11.996 10.840 1.654 1.00 0.00 N ATOM 1803 CA THR A 114 -13.336 11.413 1.652 1.00 0.00 C ATOM 1804 C THR A 114 -14.398 10.326 1.527 1.00 0.00 C ATOM 1805 O THR A 114 -15.324 10.440 0.724 1.00 0.00 O ATOM 1806 CB THR A 114 -13.513 12.423 0.502 1.00 0.00 C ATOM 1807 OG1 THR A 114 -12.963 11.890 -0.708 1.00 0.00 O ATOM 1808 CG2 THR A 114 -12.837 13.744 0.834 1.00 0.00 C ATOM 0 H THR A 114 -11.521 10.875 0.752 1.00 0.00 H new ATOM 0 HA THR A 114 -13.460 11.931 2.603 1.00 0.00 H new ATOM 0 HB THR A 114 -14.580 12.603 0.367 1.00 0.00 H new ATOM 0 HG1 THR A 114 -11.999 12.065 -0.734 1.00 0.00 H new ATOM 0 HG21 THR A 114 -12.975 14.441 0.008 1.00 0.00 H new ATOM 0 HG22 THR A 114 -13.279 14.161 1.739 1.00 0.00 H new ATOM 0 HG23 THR A 114 -11.772 13.577 0.994 1.00 0.00 H new ATOM 1816 N SER A 115 -14.258 9.274 2.326 1.00 0.00 N ATOM 1817 CA SER A 115 -15.204 8.164 2.302 1.00 0.00 C ATOM 1818 C SER A 115 -15.786 7.917 3.691 1.00 0.00 C ATOM 1819 O SER A 115 -15.080 7.995 4.695 1.00 0.00 O ATOM 1820 CB SER A 115 -14.521 6.895 1.790 1.00 0.00 C ATOM 1821 OG SER A 115 -14.465 6.883 0.374 1.00 0.00 O ATOM 0 H SER A 115 -13.499 9.166 2.998 1.00 0.00 H new ATOM 0 HA SER A 115 -16.018 8.427 1.627 1.00 0.00 H new ATOM 0 HB2 SER A 115 -13.512 6.831 2.198 1.00 0.00 H new ATOM 0 HB3 SER A 115 -15.064 6.018 2.143 1.00 0.00 H new ATOM 0 HG SER A 115 -13.622 7.284 0.077 1.00 0.00 H new ATOM 1827 N GLY A 116 -17.081 7.618 3.738 1.00 0.00 N ATOM 1828 CA GLY A 116 -17.737 7.364 5.008 1.00 0.00 C ATOM 1829 C GLY A 116 -17.770 8.589 5.899 1.00 0.00 C ATOM 1830 O GLY A 116 -16.778 9.305 6.043 1.00 0.00 O ATOM 0 H GLY A 116 -17.687 7.547 2.920 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -18.756 7.024 4.825 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -17.220 6.556 5.525 1.00 0.00 H new ATOM 1834 N PRO A 117 -18.933 8.847 6.515 1.00 0.00 N ATOM 1835 CA PRO A 117 -19.119 9.995 7.407 1.00 0.00 C ATOM 1836 C PRO A 117 -18.347 9.845 8.714 1.00 0.00 C ATOM 1837 O PRO A 117 -18.859 9.294 9.688 1.00 0.00 O ATOM 1838 CB PRO A 117 -20.626 9.997 7.673 1.00 0.00 C ATOM 1839 CG PRO A 117 -21.049 8.583 7.468 1.00 0.00 C ATOM 1840 CD PRO A 117 -20.156 8.036 6.389 1.00 0.00 C ATOM 0 HA PRO A 117 -18.750 10.920 6.964 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -20.849 10.334 8.685 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -21.147 10.669 6.991 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -20.947 8.008 8.388 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -22.097 8.528 7.173 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -19.952 6.975 6.536 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -20.608 8.140 5.402 1.00 0.00 H new ATOM 1848 N SER A 118 -17.114 10.341 8.728 1.00 0.00 N ATOM 1849 CA SER A 118 -16.271 10.259 9.914 1.00 0.00 C ATOM 1850 C SER A 118 -15.364 11.481 10.022 1.00 0.00 C ATOM 1851 O SER A 118 -14.620 11.800 9.094 1.00 0.00 O ATOM 1852 CB SER A 118 -15.425 8.984 9.878 1.00 0.00 C ATOM 1853 OG SER A 118 -16.191 7.853 10.253 1.00 0.00 O ATOM 0 H SER A 118 -16.677 10.804 7.931 1.00 0.00 H new ATOM 0 HA SER A 118 -16.920 10.231 10.789 1.00 0.00 H new ATOM 0 HB2 SER A 118 -15.023 8.839 8.875 1.00 0.00 H new ATOM 0 HB3 SER A 118 -14.574 9.090 10.550 1.00 0.00 H new ATOM 0 HG SER A 118 -17.141 8.092 10.268 1.00 0.00 H new ATOM 1859 N SER A 119 -15.432 12.162 11.161 1.00 0.00 N ATOM 1860 CA SER A 119 -14.621 13.352 11.390 1.00 0.00 C ATOM 1861 C SER A 119 -13.135 13.025 11.288 1.00 0.00 C ATOM 1862 O SER A 119 -12.672 12.015 11.818 1.00 0.00 O ATOM 1863 CB SER A 119 -14.930 13.949 12.765 1.00 0.00 C ATOM 1864 OG SER A 119 -14.730 12.994 13.792 1.00 0.00 O ATOM 0 H SER A 119 -16.040 11.910 11.940 1.00 0.00 H new ATOM 0 HA SER A 119 -14.868 14.083 10.620 1.00 0.00 H new ATOM 0 HB2 SER A 119 -14.292 14.815 12.940 1.00 0.00 H new ATOM 0 HB3 SER A 119 -15.961 14.302 12.788 1.00 0.00 H new ATOM 0 HG SER A 119 -14.932 13.400 14.661 1.00 0.00 H new ATOM 1870 N GLY A 120 -12.391 13.887 10.601 1.00 0.00 N ATOM 1871 CA GLY A 120 -10.965 13.672 10.440 1.00 0.00 C ATOM 1872 C GLY A 120 -10.209 13.793 11.749 1.00 0.00 C ATOM 1873 O GLY A 120 -10.372 14.771 12.479 1.00 0.00 O ATOM 0 H GLY A 120 -12.751 14.730 10.153 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -10.795 12.682 10.016 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -10.570 14.396 9.727 1.00 0.00 H new TER 1877 GLY A 120