USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 807 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 35 SER OG : rot 60:sc= 1.33 USER MOD Set 1.2: A 56 ASN : amide:sc= 0.201 K(o=1.5,f=-7.3!) USER MOD Set 2.1: A 23 GLN : amide:sc= 0.236 K(o=0.24,f=-2.9) USER MOD Set 2.2: A 33 HIS : no HD1:sc= 0 X(o=0.24,f=0.22) USER MOD Set 3.1: A 14 SER OG : rot 120:sc= 1.2 USER MOD Set 3.2: A 67 SER OG : rot 81:sc= 2.1 USER MOD Single : A 17 SER OG : rot -107:sc= 0.407 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0721 USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 32 THR OG1 : rot 28:sc= 1.24 USER MOD Single : A 36 TYR OH : rot -147:sc= 1.19 USER MOD Single : A 37 ASN : amide:sc= 0.316 K(o=0.32,f=-10!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -174:sc= 0.49 USER MOD Single : A 42 GLN : amide:sc= 0.522 K(o=0.52,f=-0.88) USER MOD Single : A 46 GLN : amide:sc= -0.0993 X(o=-0.099,f=-0.14) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 60 THR OG1 : rot 30:sc= 0.61 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 1.26 (180deg=1.26) USER MOD Single : A 65 ASN : amide:sc= -0.123 K(o=-0.12,f=-1.7!) USER MOD Single : A 69 ASN : amide:sc= -0.435 K(o=-0.44,f=-5.4!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -102:sc= 1.24 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.0332 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.136 USER MOD Single : A 97 ASN : amide:sc= 0.614 K(o=0.61,f=-0.37) USER MOD Single : A 98 ASN : amide:sc= 1.2 K(o=1.2,f=-0.0002) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl -153:sc= 0 (180deg=-0.386) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot -6:sc= 1.28 USER MOD Single : A 110 THR OG1 : rot 8:sc= 0.18 USER MOD Single : A 112 ASN : amide:sc= 0.048 K(o=0.048,f=-4.6!) USER MOD Single : A 113 LYS NZ :NH3+ -173:sc= 1.28 (180deg=1.19) USER MOD Single : A 114 ASN : amide:sc= 1.4 K(o=1.4,f=-11!) USER MOD Single : A 115 ASN : amide:sc= 0.447 K(o=0.45,f=-14!) USER MOD Single : A 118 SER OG : rot 180:sc= -0.0116 USER MOD Single : A 123 LYS NZ :NH3+ 176:sc= 1.1 (180deg=1.08) USER MOD Single : A 125 THR OG1 : rot 97:sc= 1.23 USER MOD Single : A 127 LYS NZ :NH3+ -175:sc= 0.889 (180deg=0.871) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 13 -0.456 0.287 0.871 1.00 0.00 N ATOM 2 CA GLU A 13 0.992 0.117 0.900 1.00 0.00 C ATOM 3 C GLU A 13 1.707 1.454 0.748 1.00 0.00 C ATOM 4 O GLU A 13 1.179 2.385 0.141 1.00 0.00 O ATOM 5 CB GLU A 13 1.439 -0.840 -0.207 1.00 0.00 C ATOM 6 CG GLU A 13 0.938 -2.268 -0.043 1.00 0.00 C ATOM 7 CD GLU A 13 1.405 -3.182 -1.142 1.00 0.00 C ATOM 8 OE1 GLU A 13 1.349 -2.786 -2.282 1.00 0.00 O ATOM 9 OE2 GLU A 13 1.819 -4.277 -0.842 1.00 0.00 O1- ATOM 0 HA GLU A 13 1.258 -0.306 1.869 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.093 -0.454 -1.166 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.528 -0.852 -0.243 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.277 -2.659 0.916 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.152 -2.265 -0.018 1.00 0.00 H new ATOM 16 N SER A 14 2.911 1.541 1.302 1.00 0.00 N ATOM 17 CA SER A 14 3.577 2.825 1.488 1.00 0.00 C ATOM 18 C SER A 14 3.980 3.435 0.152 1.00 0.00 C ATOM 19 O SER A 14 4.044 4.656 0.011 1.00 0.00 O ATOM 20 CB SER A 14 4.802 2.655 2.366 1.00 0.00 C ATOM 21 OG SER A 14 5.773 1.872 1.728 1.00 0.00 O ATOM 0 H SER A 14 3.446 0.737 1.630 1.00 0.00 H new ATOM 0 HA SER A 14 2.874 3.501 1.974 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.219 3.633 2.607 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.516 2.189 3.309 1.00 0.00 H new ATOM 0 HG SER A 14 6.596 2.393 1.623 1.00 0.00 H new ATOM 27 N TRP A 15 4.251 2.578 -0.826 1.00 0.00 N ATOM 28 CA TRP A 15 4.725 3.028 -2.130 1.00 0.00 C ATOM 29 C TRP A 15 3.684 3.896 -2.824 1.00 0.00 C ATOM 30 O TRP A 15 4.010 4.674 -3.721 1.00 0.00 O ATOM 31 CB TRP A 15 5.067 1.828 -3.016 1.00 0.00 C ATOM 32 CG TRP A 15 3.869 1.025 -3.425 1.00 0.00 C ATOM 33 CD1 TRP A 15 3.431 -0.132 -2.855 1.00 0.00 C ATOM 34 CD2 TRP A 15 2.945 1.318 -4.500 1.00 0.00 C ATOM 35 NE1 TRP A 15 2.303 -0.579 -3.498 1.00 0.00 N ATOM 36 CE2 TRP A 15 1.991 0.297 -4.507 1.00 0.00 C ATOM 37 CE3 TRP A 15 2.851 2.350 -5.442 1.00 0.00 C ATOM 38 CZ2 TRP A 15 0.951 0.271 -5.423 1.00 0.00 C ATOM 39 CZ3 TRP A 15 1.808 2.325 -6.360 1.00 0.00 C ATOM 40 CH2 TRP A 15 0.882 1.312 -6.349 1.00 0.00 C ATOM 0 H TRP A 15 4.150 1.567 -0.741 1.00 0.00 H new ATOM 0 HA TRP A 15 5.622 3.625 -1.969 1.00 0.00 H new ATOM 0 HB2 TRP A 15 5.580 2.182 -3.910 1.00 0.00 H new ATOM 0 HB3 TRP A 15 5.764 1.181 -2.484 1.00 0.00 H new ATOM 0 HD1 TRP A 15 3.903 -0.626 -2.018 1.00 0.00 H new ATOM 0 HE1 TRP A 15 1.782 -1.424 -3.264 1.00 0.00 H new ATOM 0 HE3 TRP A 15 3.576 3.151 -5.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 0.221 -0.525 -5.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 1.725 3.114 -7.093 1.00 0.00 H new ATOM 0 HH2 TRP A 15 0.082 1.321 -7.074 1.00 0.00 H new ATOM 51 N VAL A 16 2.431 3.759 -2.405 1.00 0.00 N ATOM 52 CA VAL A 16 1.338 4.523 -2.994 1.00 0.00 C ATOM 53 C VAL A 16 1.524 6.018 -2.765 1.00 0.00 C ATOM 54 O VAL A 16 1.121 6.837 -3.592 1.00 0.00 O ATOM 55 CB VAL A 16 -0.009 4.078 -2.394 1.00 0.00 C ATOM 56 CG1 VAL A 16 -1.131 4.990 -2.869 1.00 0.00 C ATOM 57 CG2 VAL A 16 -0.293 2.633 -2.773 1.00 0.00 C ATOM 0 H VAL A 16 2.147 3.125 -1.658 1.00 0.00 H new ATOM 0 HA VAL A 16 1.341 4.332 -4.067 1.00 0.00 H new ATOM 0 HB VAL A 16 0.048 4.149 -1.308 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.075 4.661 -2.435 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.925 6.014 -2.556 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.197 4.949 -3.956 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.247 2.325 -2.345 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.336 2.543 -3.858 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.501 1.993 -2.387 1.00 0.00 H new ATOM 67 N SER A 17 2.135 6.367 -1.639 1.00 0.00 N ATOM 68 CA SER A 17 2.280 7.763 -1.247 1.00 0.00 C ATOM 69 C SER A 17 3.356 8.459 -2.071 1.00 0.00 C ATOM 70 O SER A 17 3.543 9.671 -1.969 1.00 0.00 O ATOM 71 CB SER A 17 2.620 7.859 0.228 1.00 0.00 C ATOM 72 OG SER A 17 1.543 7.440 1.020 1.00 0.00 O ATOM 0 H SER A 17 2.539 5.701 -0.980 1.00 0.00 H new ATOM 0 HA SER A 17 1.330 8.264 -1.433 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.495 7.246 0.444 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.882 8.887 0.478 1.00 0.00 H new ATOM 0 HG SER A 17 1.133 8.218 1.452 1.00 0.00 H new ATOM 78 N CYS A 18 4.060 7.684 -2.889 1.00 0.00 N ATOM 79 CA CYS A 18 5.027 8.240 -3.828 1.00 0.00 C ATOM 80 C CYS A 18 4.330 8.850 -5.038 1.00 0.00 C ATOM 81 O CYS A 18 4.920 9.645 -5.771 1.00 0.00 O ATOM 82 CB CYS A 18 6.003 7.161 -4.298 1.00 0.00 C ATOM 83 SG CYS A 18 7.139 6.584 -3.015 1.00 0.00 S ATOM 0 H CYS A 18 3.979 6.668 -2.921 1.00 0.00 H new ATOM 0 HA CYS A 18 5.577 9.023 -3.306 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.434 6.311 -4.674 1.00 0.00 H new ATOM 0 HB3 CYS A 18 6.584 7.551 -5.134 1.00 0.00 H new ATOM 88 N LEU A 19 3.073 8.473 -5.243 1.00 0.00 N ATOM 89 CA LEU A 19 2.292 8.986 -6.363 1.00 0.00 C ATOM 90 C LEU A 19 1.230 9.969 -5.889 1.00 0.00 C ATOM 91 O LEU A 19 0.737 10.787 -6.667 1.00 0.00 O ATOM 92 CB LEU A 19 1.626 7.829 -7.118 1.00 0.00 C ATOM 93 CG LEU A 19 2.580 6.781 -7.706 1.00 0.00 C ATOM 94 CD1 LEU A 19 1.773 5.663 -8.350 1.00 0.00 C ATOM 95 CD2 LEU A 19 3.501 7.445 -8.719 1.00 0.00 C ATOM 0 H LEU A 19 2.572 7.813 -4.648 1.00 0.00 H new ATOM 0 HA LEU A 19 2.973 9.512 -7.033 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.937 7.326 -6.440 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.028 8.245 -7.929 1.00 0.00 H new ATOM 0 HG LEU A 19 3.193 6.350 -6.915 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.451 4.919 -8.768 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.137 5.194 -7.599 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.152 6.074 -9.145 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.179 6.701 -9.137 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.905 7.884 -9.520 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.079 8.227 -8.227 1.00 0.00 H new ATOM 107 N ASP A 20 0.881 9.886 -4.610 1.00 0.00 N ATOM 108 CA ASP A 20 -0.131 10.762 -4.033 1.00 0.00 C ATOM 109 C ASP A 20 0.325 12.215 -4.048 1.00 0.00 C ATOM 110 O ASP A 20 1.522 12.500 -4.076 1.00 0.00 O ATOM 111 CB ASP A 20 -0.454 10.337 -2.599 1.00 0.00 C ATOM 112 CG ASP A 20 -1.249 9.040 -2.530 1.00 0.00 C ATOM 113 OD1 ASP A 20 -1.846 8.678 -3.516 1.00 0.00 O ATOM 114 OD2 ASP A 20 -1.251 8.422 -1.492 1.00 0.00 O1- ATOM 0 H ASP A 20 1.285 9.219 -3.952 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.030 10.676 -4.643 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.476 10.217 -2.043 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.019 11.130 -2.109 1.00 0.00 H new ATOM 119 N PRO A 21 -0.637 13.132 -4.029 1.00 0.00 N ATOM 120 CA PRO A 21 -0.336 14.558 -4.007 1.00 0.00 C ATOM 121 C PRO A 21 0.512 14.924 -2.795 1.00 0.00 C ATOM 122 O PRO A 21 0.386 14.316 -1.732 1.00 0.00 O ATOM 123 CB PRO A 21 -1.724 15.203 -3.941 1.00 0.00 C ATOM 124 CG PRO A 21 -2.629 14.186 -4.548 1.00 0.00 C ATOM 125 CD PRO A 21 -2.076 12.866 -4.079 1.00 0.00 C ATOM 0 HA PRO A 21 0.245 14.889 -4.868 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.010 15.428 -2.914 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -1.753 16.142 -4.493 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -3.659 14.324 -4.220 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.629 14.253 -5.636 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.472 12.583 -3.104 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -2.316 12.056 -4.768 1.00 0.00 H new ATOM 133 N GLU A 22 1.375 15.920 -2.962 1.00 0.00 N ATOM 134 CA GLU A 22 2.243 16.371 -1.880 1.00 0.00 C ATOM 135 C GLU A 22 1.430 16.822 -0.674 1.00 0.00 C ATOM 136 O GLU A 22 0.421 17.513 -0.816 1.00 0.00 O ATOM 137 CB GLU A 22 3.141 17.513 -2.358 1.00 0.00 C ATOM 138 CG GLU A 22 4.175 17.107 -3.400 1.00 0.00 C ATOM 139 CD GLU A 22 5.107 18.227 -3.767 1.00 0.00 C ATOM 140 OE1 GLU A 22 5.486 18.970 -2.893 1.00 0.00 O ATOM 141 OE2 GLU A 22 5.441 18.341 -4.922 1.00 0.00 O1- ATOM 0 H GLU A 22 1.492 16.431 -3.837 1.00 0.00 H new ATOM 0 HA GLU A 22 2.865 15.528 -1.579 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.514 18.302 -2.774 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.658 17.937 -1.497 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.756 16.267 -3.019 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.662 16.759 -4.297 1.00 0.00 H new ATOM 148 N GLN A 23 1.875 16.428 0.515 1.00 0.00 N ATOM 149 CA GLN A 23 1.281 16.911 1.755 1.00 0.00 C ATOM 150 C GLN A 23 1.752 18.323 2.078 1.00 0.00 C ATOM 151 O GLN A 23 2.927 18.650 1.908 1.00 0.00 O ATOM 152 CB GLN A 23 1.618 15.970 2.914 1.00 0.00 C ATOM 153 CG GLN A 23 0.896 16.294 4.210 1.00 0.00 C ATOM 154 CD GLN A 23 1.175 15.276 5.299 1.00 0.00 C ATOM 155 OE1 GLN A 23 2.306 15.151 5.776 1.00 0.00 O ATOM 156 NE2 GLN A 23 0.144 14.541 5.699 1.00 0.00 N ATOM 0 H GLN A 23 2.647 15.774 0.645 1.00 0.00 H new ATOM 0 HA GLN A 23 0.200 16.933 1.618 1.00 0.00 H new ATOM 0 HB2 GLN A 23 1.374 14.949 2.621 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.693 16.002 3.092 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.200 17.283 4.554 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -0.177 16.337 4.024 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -0.774 14.678 5.277 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.270 13.839 6.429 1.00 0.00 H new ATOM 165 N VAL A 24 0.829 19.158 2.544 1.00 0.00 N ATOM 166 CA VAL A 24 1.125 20.563 2.798 1.00 0.00 C ATOM 167 C VAL A 24 1.886 20.738 4.105 1.00 0.00 C ATOM 168 O VAL A 24 1.510 20.176 5.134 1.00 0.00 O ATOM 169 CB VAL A 24 -0.179 21.382 2.853 1.00 0.00 C ATOM 170 CG1 VAL A 24 0.110 22.815 3.273 1.00 0.00 C ATOM 171 CG2 VAL A 24 -0.871 21.345 1.498 1.00 0.00 C ATOM 0 H VAL A 24 -0.131 18.885 2.754 1.00 0.00 H new ATOM 0 HA VAL A 24 1.749 20.923 1.980 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.844 20.941 3.596 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.822 23.379 3.307 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.572 22.819 4.260 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.787 23.275 2.554 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.792 21.926 1.544 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.212 21.770 0.741 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.106 20.313 1.237 1.00 0.00 H new ATOM 181 N THR A 25 2.959 21.520 4.059 1.00 0.00 N ATOM 182 CA THR A 25 3.785 21.759 5.237 1.00 0.00 C ATOM 183 C THR A 25 3.209 22.876 6.096 1.00 0.00 C ATOM 184 O THR A 25 2.296 23.588 5.677 1.00 0.00 O ATOM 185 CB THR A 25 5.231 22.106 4.838 1.00 0.00 C ATOM 186 OG1 THR A 25 5.246 23.342 4.112 1.00 0.00 O ATOM 187 CG2 THR A 25 5.824 21.006 3.971 1.00 0.00 C ATOM 0 H THR A 25 3.278 22.000 3.217 1.00 0.00 H new ATOM 0 HA THR A 25 3.791 20.838 5.819 1.00 0.00 H new ATOM 0 HB THR A 25 5.829 22.202 5.745 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.167 23.562 3.860 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.846 21.269 3.699 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.826 20.067 4.525 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.225 20.893 3.067 1.00 0.00 H new ATOM 195 N CYS A 26 3.747 23.026 7.302 1.00 0.00 N ATOM 196 CA CYS A 26 3.217 23.985 8.264 1.00 0.00 C ATOM 197 C CYS A 26 4.251 25.048 8.610 1.00 0.00 C ATOM 198 O CYS A 26 5.443 24.875 8.353 1.00 0.00 O ATOM 199 CB CYS A 26 2.776 23.274 9.544 1.00 0.00 C ATOM 200 SG CYS A 26 1.675 21.866 9.265 1.00 0.00 S ATOM 0 H CYS A 26 4.551 22.495 7.637 1.00 0.00 H new ATOM 0 HA CYS A 26 2.357 24.469 7.802 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.661 22.929 10.079 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.273 23.992 10.191 1.00 0.00 H new ATOM 205 N GLU A 27 3.789 26.147 9.195 1.00 0.00 N ATOM 206 CA GLU A 27 4.686 27.174 9.713 1.00 0.00 C ATOM 207 C GLU A 27 5.422 26.687 10.954 1.00 0.00 C ATOM 208 O GLU A 27 6.591 27.013 11.162 1.00 0.00 O ATOM 209 CB GLU A 27 3.905 28.449 10.039 1.00 0.00 C ATOM 210 CG GLU A 27 3.357 29.180 8.821 1.00 0.00 C ATOM 211 CD GLU A 27 2.552 30.397 9.182 1.00 0.00 C ATOM 212 OE1 GLU A 27 2.281 30.584 10.344 1.00 0.00 O ATOM 213 OE2 GLU A 27 2.208 31.141 8.294 1.00 0.00 O1- ATOM 0 H GLU A 27 2.798 26.350 9.323 1.00 0.00 H new ATOM 0 HA GLU A 27 5.423 27.393 8.940 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.075 28.194 10.698 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.555 29.127 10.593 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.186 29.476 8.178 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.734 28.497 8.243 1.00 0.00 H new ATOM 220 N SER A 28 4.731 25.905 11.777 1.00 0.00 N ATOM 221 CA SER A 28 5.350 25.281 12.940 1.00 0.00 C ATOM 222 C SER A 28 6.277 24.145 12.528 1.00 0.00 C ATOM 223 O SER A 28 6.015 23.439 11.554 1.00 0.00 O ATOM 224 CB SER A 28 4.283 24.757 13.882 1.00 0.00 C ATOM 225 OG SER A 28 4.855 24.042 14.942 1.00 0.00 O ATOM 0 H SER A 28 3.741 25.688 11.660 1.00 0.00 H new ATOM 0 HA SER A 28 5.944 26.039 13.451 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.699 25.589 14.274 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.594 24.114 13.335 1.00 0.00 H new ATOM 0 HG SER A 28 4.147 23.716 15.536 1.00 0.00 H new ATOM 231 N GLN A 29 7.363 23.974 13.274 1.00 0.00 N ATOM 232 CA GLN A 29 8.327 22.916 12.993 1.00 0.00 C ATOM 233 C GLN A 29 8.271 21.824 14.055 1.00 0.00 C ATOM 234 O GLN A 29 9.221 21.060 14.223 1.00 0.00 O ATOM 235 CB GLN A 29 9.743 23.490 12.908 1.00 0.00 C ATOM 236 CG GLN A 29 9.945 24.483 11.776 1.00 0.00 C ATOM 237 CD GLN A 29 11.364 25.015 11.719 1.00 0.00 C ATOM 238 OE1 GLN A 29 12.229 24.600 12.495 1.00 0.00 O ATOM 239 NE2 GLN A 29 11.612 25.940 10.799 1.00 0.00 N ATOM 0 H GLN A 29 7.598 24.555 14.079 1.00 0.00 H new ATOM 0 HA GLN A 29 8.065 22.473 12.032 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.982 23.979 13.852 1.00 0.00 H new ATOM 0 HB3 GLN A 29 10.449 22.669 12.786 1.00 0.00 H new ATOM 0 HG2 GLN A 29 9.702 24.003 10.828 1.00 0.00 H new ATOM 0 HG3 GLN A 29 9.252 25.316 11.899 1.00 0.00 H new ATOM 0 HE21 GLN A 29 10.867 26.254 10.178 1.00 0.00 H new ATOM 0 HE22 GLN A 29 12.548 26.336 10.714 1.00 0.00 H new ATOM 248 N GLU A 30 7.153 21.757 14.769 1.00 0.00 N ATOM 249 CA GLU A 30 6.961 20.743 15.799 1.00 0.00 C ATOM 250 C GLU A 30 7.036 19.340 15.210 1.00 0.00 C ATOM 251 O GLU A 30 7.807 18.501 15.676 1.00 0.00 O ATOM 252 CB GLU A 30 5.615 20.941 16.499 1.00 0.00 C ATOM 253 CG GLU A 30 5.329 19.937 17.607 1.00 0.00 C ATOM 254 CD GLU A 30 4.011 20.178 18.288 1.00 0.00 C ATOM 255 OE1 GLU A 30 3.337 21.112 17.924 1.00 0.00 O ATOM 256 OE2 GLU A 30 3.677 19.428 19.175 1.00 0.00 O1- ATOM 0 H GLU A 30 6.365 22.394 14.653 1.00 0.00 H new ATOM 0 HA GLU A 30 7.763 20.853 16.529 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.582 21.946 16.919 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.820 20.880 15.756 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.338 18.930 17.189 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.128 19.982 18.347 1.00 0.00 H new ATOM 263 N GLY A 31 6.230 19.091 14.183 1.00 0.00 N ATOM 264 CA GLY A 31 6.224 17.797 13.510 1.00 0.00 C ATOM 265 C GLY A 31 7.137 17.807 12.291 1.00 0.00 C ATOM 266 O GLY A 31 7.751 18.825 11.970 1.00 0.00 O ATOM 0 H GLY A 31 5.572 19.769 13.798 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.548 17.021 14.204 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.208 17.547 13.205 1.00 0.00 H new ATOM 270 N THR A 32 7.224 16.667 11.613 1.00 0.00 N ATOM 271 CA THR A 32 8.058 16.544 10.424 1.00 0.00 C ATOM 272 C THR A 32 7.644 15.343 9.583 1.00 0.00 C ATOM 273 O THR A 32 7.063 14.386 10.094 1.00 0.00 O ATOM 274 CB THR A 32 9.546 16.423 10.801 1.00 0.00 C ATOM 275 OG1 THR A 32 10.346 16.441 9.611 1.00 0.00 O ATOM 276 CG2 THR A 32 9.801 15.129 11.559 1.00 0.00 C ATOM 0 H THR A 32 6.726 15.814 11.868 1.00 0.00 H new ATOM 0 HA THR A 32 7.916 17.450 9.835 1.00 0.00 H new ATOM 0 HB THR A 32 9.813 17.265 11.440 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.878 16.941 8.910 1.00 0.00 H new ATOM 0 HG21 THR A 32 10.858 15.061 11.817 1.00 0.00 H new ATOM 0 HG22 THR A 32 9.203 15.117 12.470 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.525 14.280 10.933 1.00 0.00 H new ATOM 284 N HIS A 33 7.946 15.401 8.290 1.00 0.00 N ATOM 285 CA HIS A 33 7.635 14.303 7.381 1.00 0.00 C ATOM 286 C HIS A 33 8.430 14.418 6.087 1.00 0.00 C ATOM 287 O HIS A 33 8.788 15.517 5.663 1.00 0.00 O ATOM 288 CB HIS A 33 6.136 14.270 7.065 1.00 0.00 C ATOM 289 CG HIS A 33 5.646 15.487 6.344 1.00 0.00 C ATOM 290 ND1 HIS A 33 5.277 16.642 7.001 1.00 0.00 N ATOM 291 CD2 HIS A 33 5.464 15.729 5.025 1.00 0.00 C ATOM 292 CE1 HIS A 33 4.889 17.543 6.115 1.00 0.00 C ATOM 293 NE2 HIS A 33 4.993 17.013 4.910 1.00 0.00 N ATOM 0 H HIS A 33 8.406 16.197 7.848 1.00 0.00 H new ATOM 0 HA HIS A 33 7.915 13.375 7.879 1.00 0.00 H new ATOM 0 HB2 HIS A 33 5.920 13.389 6.460 1.00 0.00 H new ATOM 0 HB3 HIS A 33 5.580 14.162 7.996 1.00 0.00 H new ATOM 0 HD2 HIS A 33 5.654 15.041 4.215 1.00 0.00 H new ATOM 0 HE1 HIS A 33 4.546 18.542 6.339 1.00 0.00 H new ATOM 0 HE2 HIS A 33 4.761 17.482 4.035 1.00 0.00 H new ATOM 301 N ALA A 34 8.704 13.277 5.463 1.00 0.00 N ATOM 302 CA ALA A 34 9.383 13.253 4.173 1.00 0.00 C ATOM 303 C ALA A 34 8.386 13.121 3.029 1.00 0.00 C ATOM 304 O ALA A 34 7.441 12.335 3.103 1.00 0.00 O ATOM 305 CB ALA A 34 10.394 12.117 4.128 1.00 0.00 C ATOM 0 H ALA A 34 8.466 12.356 5.831 1.00 0.00 H new ATOM 0 HA ALA A 34 9.911 14.199 4.052 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.893 12.112 3.159 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.134 12.257 4.916 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.881 11.167 4.277 1.00 0.00 H new ATOM 311 N SER A 35 8.602 13.895 1.971 1.00 0.00 N ATOM 312 CA SER A 35 7.669 13.941 0.851 1.00 0.00 C ATOM 313 C SER A 35 8.390 14.245 -0.455 1.00 0.00 C ATOM 314 O SER A 35 9.325 15.045 -0.488 1.00 0.00 O ATOM 315 CB SER A 35 6.600 14.986 1.105 1.00 0.00 C ATOM 316 OG SER A 35 5.706 15.061 0.029 1.00 0.00 O ATOM 0 H SER A 35 9.416 14.500 1.865 1.00 0.00 H new ATOM 0 HA SER A 35 7.202 12.960 0.762 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.057 14.741 2.018 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.067 15.958 1.263 1.00 0.00 H new ATOM 0 HG SER A 35 5.275 14.190 -0.099 1.00 0.00 H new ATOM 322 N TYR A 36 7.951 13.602 -1.532 1.00 0.00 N ATOM 323 CA TYR A 36 8.524 13.836 -2.851 1.00 0.00 C ATOM 324 C TYR A 36 8.246 15.255 -3.329 1.00 0.00 C ATOM 325 O TYR A 36 7.121 15.583 -3.709 1.00 0.00 O ATOM 326 CB TYR A 36 7.980 12.820 -3.859 1.00 0.00 C ATOM 327 CG TYR A 36 8.624 12.911 -5.225 1.00 0.00 C ATOM 328 CD1 TYR A 36 9.843 12.291 -5.460 1.00 0.00 C ATOM 329 CD2 TYR A 36 7.996 13.613 -6.242 1.00 0.00 C ATOM 330 CE1 TYR A 36 10.431 12.374 -6.707 1.00 0.00 C ATOM 331 CE2 TYR A 36 8.584 13.696 -7.490 1.00 0.00 C ATOM 332 CZ TYR A 36 9.796 13.080 -7.723 1.00 0.00 C ATOM 333 OH TYR A 36 10.382 13.162 -8.966 1.00 0.00 O ATOM 0 H TYR A 36 7.199 12.914 -1.516 1.00 0.00 H new ATOM 0 HA TYR A 36 9.604 13.711 -2.773 1.00 0.00 H new ATOM 0 HB2 TYR A 36 8.128 11.815 -3.464 1.00 0.00 H new ATOM 0 HB3 TYR A 36 6.905 12.966 -3.964 1.00 0.00 H new ATOM 0 HD1 TYR A 36 10.332 11.744 -4.668 1.00 0.00 H new ATOM 0 HD2 TYR A 36 7.047 14.095 -6.059 1.00 0.00 H new ATOM 0 HE1 TYR A 36 11.380 11.893 -6.892 1.00 0.00 H new ATOM 0 HE2 TYR A 36 8.095 14.243 -8.282 1.00 0.00 H new ATOM 0 HH TYR A 36 10.166 14.027 -9.373 1.00 0.00 H new ATOM 343 N ASN A 37 9.276 16.094 -3.309 1.00 0.00 N ATOM 344 CA ASN A 37 9.146 17.477 -3.750 1.00 0.00 C ATOM 345 C ASN A 37 9.307 17.592 -5.260 1.00 0.00 C ATOM 346 O ASN A 37 10.413 17.469 -5.787 1.00 0.00 O ATOM 347 CB ASN A 37 10.153 18.361 -3.037 1.00 0.00 C ATOM 348 CG ASN A 37 9.978 19.818 -3.366 1.00 0.00 C ATOM 349 OD1 ASN A 37 9.182 20.178 -4.241 1.00 0.00 O ATOM 350 ND2 ASN A 37 10.706 20.663 -2.681 1.00 0.00 N ATOM 0 H ASN A 37 10.211 15.839 -2.992 1.00 0.00 H new ATOM 0 HA ASN A 37 8.143 17.817 -3.494 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.056 18.221 -1.960 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.161 18.049 -3.309 1.00 0.00 H new ATOM 0 HD21 ASN A 37 10.629 21.664 -2.860 1.00 0.00 H new ATOM 0 HD22 ASN A 37 11.350 20.320 -1.968 1.00 0.00 H new ATOM 357 N ARG A 38 8.198 17.827 -5.952 1.00 0.00 N ATOM 358 CA ARG A 38 8.186 17.812 -7.410 1.00 0.00 C ATOM 359 C ARG A 38 8.891 19.037 -7.979 1.00 0.00 C ATOM 360 O ARG A 38 9.235 19.074 -9.160 1.00 0.00 O ATOM 361 CB ARG A 38 6.758 17.763 -7.933 1.00 0.00 C ATOM 362 CG ARG A 38 6.017 16.467 -7.649 1.00 0.00 C ATOM 363 CD ARG A 38 4.582 16.562 -8.020 1.00 0.00 C ATOM 364 NE ARG A 38 3.860 17.487 -7.162 1.00 0.00 N ATOM 365 CZ ARG A 38 2.590 17.887 -7.365 1.00 0.00 C ATOM 366 NH1 ARG A 38 1.916 17.435 -8.400 1.00 0.00 N1+ ATOM 367 NH2 ARG A 38 2.021 18.734 -6.525 1.00 0.00 N ATOM 0 H ARG A 38 7.294 18.031 -5.526 1.00 0.00 H new ATOM 0 HA ARG A 38 8.720 16.918 -7.733 1.00 0.00 H new ATOM 0 HB2 ARG A 38 6.197 18.589 -7.495 1.00 0.00 H new ATOM 0 HB3 ARG A 38 6.775 17.926 -9.011 1.00 0.00 H new ATOM 0 HG2 ARG A 38 6.483 15.652 -8.203 1.00 0.00 H new ATOM 0 HG3 ARG A 38 6.104 16.223 -6.590 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.496 16.886 -9.057 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.124 15.575 -7.956 1.00 0.00 H new ATOM 0 HE ARG A 38 4.350 17.860 -6.349 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.355 16.782 -9.049 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.954 17.738 -8.554 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.544 19.085 -5.723 1.00 0.00 H new ATOM 0 HH22 ARG A 38 1.059 19.037 -6.679 1.00 0.00 H new ATOM 381 N LYS A 39 9.102 20.039 -7.132 1.00 0.00 N ATOM 382 CA LYS A 39 9.782 21.261 -7.544 1.00 0.00 C ATOM 383 C LYS A 39 11.281 21.032 -7.695 1.00 0.00 C ATOM 384 O LYS A 39 11.963 21.773 -8.403 1.00 0.00 O ATOM 385 CB LYS A 39 9.520 22.385 -6.541 1.00 0.00 C ATOM 386 CG LYS A 39 8.080 22.877 -6.511 1.00 0.00 C ATOM 387 CD LYS A 39 7.895 23.984 -5.482 1.00 0.00 C ATOM 388 CE LYS A 39 6.456 24.476 -5.450 1.00 0.00 C ATOM 389 NZ LYS A 39 6.253 25.534 -4.423 1.00 0.00 N1+ ATOM 0 H LYS A 39 8.811 20.028 -6.154 1.00 0.00 H new ATOM 0 HA LYS A 39 9.382 21.554 -8.515 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.793 22.038 -5.545 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.173 23.225 -6.776 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.798 23.244 -7.498 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.414 22.046 -6.278 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.178 23.617 -4.495 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.560 24.815 -5.716 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.184 24.866 -6.431 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.790 23.638 -5.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.260 25.842 -4.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.488 25.155 -3.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.869 26.345 -4.634 1.00 0.00 H new ATOM 403 N THR A 40 11.788 20.002 -7.025 1.00 0.00 N ATOM 404 CA THR A 40 13.206 19.670 -7.089 1.00 0.00 C ATOM 405 C THR A 40 13.419 18.269 -7.650 1.00 0.00 C ATOM 406 O THR A 40 14.514 17.929 -8.095 1.00 0.00 O ATOM 407 CB THR A 40 13.863 19.777 -5.701 1.00 0.00 C ATOM 408 OG1 THR A 40 13.226 18.866 -4.796 1.00 0.00 O ATOM 409 CG2 THR A 40 13.740 21.193 -5.160 1.00 0.00 C ATOM 0 H THR A 40 11.237 19.383 -6.431 1.00 0.00 H new ATOM 0 HA THR A 40 13.677 20.391 -7.758 1.00 0.00 H new ATOM 0 HB THR A 40 14.920 19.526 -5.796 1.00 0.00 H new ATOM 0 HG1 THR A 40 13.578 19.003 -3.892 1.00 0.00 H new ATOM 0 HG21 THR A 40 14.210 21.249 -4.178 1.00 0.00 H new ATOM 0 HG22 THR A 40 14.235 21.886 -5.840 1.00 0.00 H new ATOM 0 HG23 THR A 40 12.687 21.459 -5.074 1.00 0.00 H new ATOM 417 N GLY A 41 12.364 17.461 -7.624 1.00 0.00 N ATOM 418 CA GLY A 41 12.408 16.126 -8.210 1.00 0.00 C ATOM 419 C GLY A 41 13.093 15.137 -7.275 1.00 0.00 C ATOM 420 O GLY A 41 13.842 14.267 -7.718 1.00 0.00 O ATOM 0 H GLY A 41 11.468 17.707 -7.203 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.395 15.786 -8.424 1.00 0.00 H new ATOM 0 HA3 GLY A 41 12.940 16.160 -9.161 1.00 0.00 H new ATOM 424 N GLN A 42 12.831 15.276 -5.980 1.00 0.00 N ATOM 425 CA GLN A 42 13.443 14.412 -4.978 1.00 0.00 C ATOM 426 C GLN A 42 12.644 14.422 -3.681 1.00 0.00 C ATOM 427 O GLN A 42 11.904 15.365 -3.403 1.00 0.00 O ATOM 428 CB GLN A 42 14.886 14.845 -4.706 1.00 0.00 C ATOM 429 CG GLN A 42 15.018 16.242 -4.124 1.00 0.00 C ATOM 430 CD GLN A 42 16.461 16.619 -3.847 1.00 0.00 C ATOM 431 OE1 GLN A 42 17.391 15.948 -4.302 1.00 0.00 O ATOM 432 NE2 GLN A 42 16.656 17.698 -3.097 1.00 0.00 N ATOM 0 H GLN A 42 12.198 15.980 -5.600 1.00 0.00 H new ATOM 0 HA GLN A 42 13.445 13.396 -5.372 1.00 0.00 H new ATOM 0 HB2 GLN A 42 15.344 14.133 -4.019 1.00 0.00 H new ATOM 0 HB3 GLN A 42 15.450 14.797 -5.638 1.00 0.00 H new ATOM 0 HG2 GLN A 42 14.583 16.963 -4.816 1.00 0.00 H new ATOM 0 HG3 GLN A 42 14.445 16.303 -3.199 1.00 0.00 H new ATOM 0 HE21 GLN A 42 15.857 18.223 -2.742 1.00 0.00 H new ATOM 0 HE22 GLN A 42 17.605 18.001 -2.877 1.00 0.00 H new ATOM 441 N CYS A 43 12.798 13.366 -2.889 1.00 0.00 N ATOM 442 CA CYS A 43 12.163 13.291 -1.579 1.00 0.00 C ATOM 443 C CYS A 43 12.922 14.119 -0.550 1.00 0.00 C ATOM 444 O CYS A 43 14.129 13.949 -0.371 1.00 0.00 O ATOM 445 CB CYS A 43 12.084 11.841 -1.101 1.00 0.00 C ATOM 446 SG CYS A 43 11.327 11.641 0.530 1.00 0.00 S ATOM 0 H CYS A 43 13.358 12.549 -3.132 1.00 0.00 H new ATOM 0 HA CYS A 43 11.156 13.695 -1.681 1.00 0.00 H new ATOM 0 HB2 CYS A 43 11.515 11.261 -1.827 1.00 0.00 H new ATOM 0 HB3 CYS A 43 13.090 11.422 -1.077 1.00 0.00 H new ATOM 451 N GLU A 44 12.210 15.015 0.124 1.00 0.00 N ATOM 452 CA GLU A 44 12.825 15.905 1.101 1.00 0.00 C ATOM 453 C GLU A 44 12.098 15.844 2.438 1.00 0.00 C ATOM 454 O GLU A 44 10.876 15.703 2.485 1.00 0.00 O ATOM 455 CB GLU A 44 12.833 17.344 0.580 1.00 0.00 C ATOM 456 CG GLU A 44 13.637 17.546 -0.697 1.00 0.00 C ATOM 457 CD GLU A 44 13.524 18.941 -1.246 1.00 0.00 C ATOM 458 OE1 GLU A 44 12.734 19.698 -0.735 1.00 0.00 O ATOM 459 OE2 GLU A 44 14.230 19.251 -2.177 1.00 0.00 O1- ATOM 0 H GLU A 44 11.205 15.144 0.011 1.00 0.00 H new ATOM 0 HA GLU A 44 13.852 15.572 1.254 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.805 17.658 0.401 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.235 17.996 1.355 1.00 0.00 H new ATOM 0 HG2 GLU A 44 14.685 17.323 -0.499 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.297 16.836 -1.451 1.00 0.00 H new ATOM 466 N GLU A 45 12.856 15.950 3.524 1.00 0.00 N ATOM 467 CA GLU A 45 12.280 15.958 4.863 1.00 0.00 C ATOM 468 C GLU A 45 11.828 17.357 5.260 1.00 0.00 C ATOM 469 O GLU A 45 12.650 18.226 5.551 1.00 0.00 O ATOM 470 CB GLU A 45 13.292 15.430 5.882 1.00 0.00 C ATOM 471 CG GLU A 45 13.609 13.947 5.743 1.00 0.00 C ATOM 472 CD GLU A 45 14.514 13.438 6.831 1.00 0.00 C ATOM 473 OE1 GLU A 45 15.166 14.238 7.458 1.00 0.00 O ATOM 474 OE2 GLU A 45 14.553 12.248 7.035 1.00 0.00 O1- ATOM 0 H GLU A 45 13.872 16.032 3.503 1.00 0.00 H new ATOM 0 HA GLU A 45 11.407 15.305 4.854 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.217 15.998 5.784 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.909 15.615 6.886 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.679 13.379 5.756 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.078 13.770 4.775 1.00 0.00 H new ATOM 481 N GLN A 46 10.516 17.569 5.271 1.00 0.00 N ATOM 482 CA GLN A 46 9.954 18.881 5.568 1.00 0.00 C ATOM 483 C GLN A 46 9.439 18.947 7.000 1.00 0.00 C ATOM 484 O GLN A 46 9.275 17.921 7.659 1.00 0.00 O ATOM 485 CB GLN A 46 8.825 19.214 4.590 1.00 0.00 C ATOM 486 CG GLN A 46 9.261 19.286 3.137 1.00 0.00 C ATOM 487 CD GLN A 46 10.224 20.429 2.877 1.00 0.00 C ATOM 488 OE1 GLN A 46 9.969 21.574 3.261 1.00 0.00 O ATOM 489 NE2 GLN A 46 11.339 20.125 2.222 1.00 0.00 N ATOM 0 H GLN A 46 9.821 16.848 5.077 1.00 0.00 H new ATOM 0 HA GLN A 46 10.750 19.618 5.456 1.00 0.00 H new ATOM 0 HB2 GLN A 46 8.043 18.461 4.686 1.00 0.00 H new ATOM 0 HB3 GLN A 46 8.384 20.170 4.873 1.00 0.00 H new ATOM 0 HG2 GLN A 46 9.734 18.345 2.856 1.00 0.00 H new ATOM 0 HG3 GLN A 46 8.383 19.403 2.502 1.00 0.00 H new ATOM 0 HE21 GLN A 46 11.509 19.165 1.923 1.00 0.00 H new ATOM 0 HE22 GLN A 46 12.025 20.852 2.018 1.00 0.00 H new ATOM 498 N LYS A 47 9.186 20.162 7.476 1.00 0.00 N ATOM 499 CA LYS A 47 8.651 20.362 8.818 1.00 0.00 C ATOM 500 C LYS A 47 7.170 20.715 8.774 1.00 0.00 C ATOM 501 O LYS A 47 6.706 21.370 7.840 1.00 0.00 O ATOM 502 CB LYS A 47 9.431 21.457 9.547 1.00 0.00 C ATOM 503 CG LYS A 47 10.923 21.184 9.680 1.00 0.00 C ATOM 504 CD LYS A 47 11.187 19.977 10.567 1.00 0.00 C ATOM 505 CE LYS A 47 12.677 19.780 10.807 1.00 0.00 C ATOM 506 NZ LYS A 47 12.953 18.575 11.635 1.00 0.00 N1+ ATOM 0 H LYS A 47 9.343 21.023 6.952 1.00 0.00 H new ATOM 0 HA LYS A 47 8.761 19.425 9.364 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.292 22.399 9.017 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.007 21.586 10.543 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.353 21.014 8.693 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.419 22.060 10.097 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.677 20.107 11.522 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.771 19.084 10.102 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.189 19.687 9.849 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.084 20.661 11.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.979 18.477 11.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.486 18.674 12.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.588 17.730 11.151 1.00 0.00 H new ATOM 520 N GLY A 48 6.432 20.277 9.788 1.00 0.00 N ATOM 521 CA GLY A 48 5.015 20.600 9.900 1.00 0.00 C ATOM 522 C GLY A 48 4.219 19.412 10.423 1.00 0.00 C ATOM 523 O GLY A 48 4.643 18.263 10.295 1.00 0.00 O ATOM 0 H GLY A 48 6.793 19.696 10.545 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.885 21.451 10.569 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.629 20.899 8.925 1.00 0.00 H new ATOM 527 N THR A 49 3.063 19.694 11.014 1.00 0.00 N ATOM 528 CA THR A 49 2.218 18.651 11.583 1.00 0.00 C ATOM 529 C THR A 49 1.096 18.268 10.625 1.00 0.00 C ATOM 530 O THR A 49 -0.058 18.131 11.029 1.00 0.00 O ATOM 531 CB THR A 49 1.618 19.096 12.930 1.00 0.00 C ATOM 532 OG1 THR A 49 0.865 20.301 12.746 1.00 0.00 O ATOM 533 CG2 THR A 49 2.720 19.342 13.949 1.00 0.00 C ATOM 0 H THR A 49 2.689 20.638 11.111 1.00 0.00 H new ATOM 0 HA THR A 49 2.850 17.779 11.750 1.00 0.00 H new ATOM 0 HB THR A 49 0.966 18.305 13.299 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.483 20.582 13.603 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.278 19.656 14.895 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.287 18.424 14.101 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.386 20.123 13.583 1.00 0.00 H new ATOM 541 N GLU A 50 1.443 18.096 9.354 1.00 0.00 N ATOM 542 CA GLU A 50 0.514 17.548 8.374 1.00 0.00 C ATOM 543 C GLU A 50 -0.693 18.458 8.190 1.00 0.00 C ATOM 544 O GLU A 50 -1.837 18.024 8.334 1.00 0.00 O ATOM 545 CB GLU A 50 0.053 16.152 8.799 1.00 0.00 C ATOM 546 CG GLU A 50 1.181 15.147 8.988 1.00 0.00 C ATOM 547 CD GLU A 50 0.685 13.748 9.224 1.00 0.00 C ATOM 548 OE1 GLU A 50 0.290 13.110 8.278 1.00 0.00 O ATOM 549 OE2 GLU A 50 0.701 13.316 10.353 1.00 0.00 O1- ATOM 0 H GLU A 50 2.362 18.329 8.978 1.00 0.00 H new ATOM 0 HA GLU A 50 1.038 17.477 7.421 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.503 16.235 9.733 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.638 15.767 8.049 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.821 15.156 8.105 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.798 15.455 9.832 1.00 0.00 H new ATOM 556 N CYS A 51 -0.433 19.721 7.872 1.00 0.00 N ATOM 557 CA CYS A 51 -1.494 20.713 7.741 1.00 0.00 C ATOM 558 C CYS A 51 -2.212 20.578 6.405 1.00 0.00 C ATOM 559 O CYS A 51 -2.176 21.487 5.575 1.00 0.00 O ATOM 560 CB CYS A 51 -0.927 22.127 7.869 1.00 0.00 C ATOM 561 SG CYS A 51 -0.232 22.499 9.497 1.00 0.00 S ATOM 0 H CYS A 51 0.505 20.083 7.700 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.209 20.535 8.544 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -0.153 22.266 7.115 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -1.717 22.845 7.650 1.00 0.00 H new ATOM 566 N GLY A 52 -2.864 19.438 6.201 1.00 0.00 N ATOM 567 CA GLY A 52 -3.646 19.208 4.992 1.00 0.00 C ATOM 568 C GLY A 52 -2.760 18.739 3.845 1.00 0.00 C ATOM 569 O GLY A 52 -1.581 18.443 4.039 1.00 0.00 O ATOM 0 H GLY A 52 -2.866 18.658 6.858 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.415 18.462 5.190 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.159 20.127 4.707 1.00 0.00 H new ATOM 573 N GLY A 53 -3.335 18.672 2.649 1.00 0.00 N ATOM 574 CA GLY A 53 -2.608 18.207 1.474 1.00 0.00 C ATOM 575 C GLY A 53 -2.969 16.766 1.137 1.00 0.00 C ATOM 576 O GLY A 53 -4.015 16.265 1.551 1.00 0.00 O ATOM 0 H GLY A 53 -4.304 18.934 2.468 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.836 18.850 0.624 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.536 18.284 1.653 1.00 0.00 H new ATOM 580 N GLY A 54 -2.098 16.103 0.384 1.00 0.00 N ATOM 581 CA GLY A 54 -2.317 14.714 0.002 1.00 0.00 C ATOM 582 C GLY A 54 -1.699 13.759 1.015 1.00 0.00 C ATOM 583 O GLY A 54 -1.364 14.156 2.131 1.00 0.00 O ATOM 0 H GLY A 54 -1.232 16.507 0.026 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.387 14.521 -0.078 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.886 14.533 -0.982 1.00 0.00 H new ATOM 587 N GLU A 55 -1.551 12.499 0.620 1.00 0.00 N ATOM 588 CA GLU A 55 -1.026 11.473 1.513 1.00 0.00 C ATOM 589 C GLU A 55 0.448 11.205 1.237 1.00 0.00 C ATOM 590 O GLU A 55 1.020 10.244 1.751 1.00 0.00 O ATOM 591 CB GLU A 55 -1.827 10.177 1.366 1.00 0.00 C ATOM 592 CG GLU A 55 -3.287 10.290 1.779 1.00 0.00 C ATOM 593 CD GLU A 55 -3.461 10.559 3.248 1.00 0.00 C ATOM 594 OE1 GLU A 55 -2.788 9.932 4.031 1.00 0.00 O ATOM 595 OE2 GLU A 55 -4.268 11.392 3.588 1.00 0.00 O1- ATOM 0 H GLU A 55 -1.788 12.164 -0.314 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.123 11.839 2.535 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.780 9.851 0.327 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.352 9.400 1.965 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.759 11.091 1.210 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.805 9.367 1.520 1.00 0.00 H new ATOM 602 N ASN A 56 1.057 12.060 0.424 1.00 0.00 N ATOM 603 CA ASN A 56 2.482 11.957 0.131 1.00 0.00 C ATOM 604 C ASN A 56 3.322 12.416 1.316 1.00 0.00 C ATOM 605 O ASN A 56 3.776 13.559 1.362 1.00 0.00 O ATOM 606 CB ASN A 56 2.831 12.755 -1.112 1.00 0.00 C ATOM 607 CG ASN A 56 4.231 12.491 -1.593 1.00 0.00 C ATOM 608 OD1 ASN A 56 5.190 12.553 -0.815 1.00 0.00 O ATOM 609 ND2 ASN A 56 4.367 12.199 -2.861 1.00 0.00 N ATOM 0 H ASN A 56 0.586 12.834 -0.045 1.00 0.00 H new ATOM 0 HA ASN A 56 2.711 10.908 -0.056 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.126 12.511 -1.906 1.00 0.00 H new ATOM 0 HB3 ASN A 56 2.718 13.818 -0.901 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.293 12.011 -3.245 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.547 12.159 -3.466 1.00 0.00 H new ATOM 616 N HIS A 57 3.526 11.517 2.274 1.00 0.00 N ATOM 617 CA HIS A 57 4.373 11.803 3.425 1.00 0.00 C ATOM 618 C HIS A 57 4.916 10.520 4.042 1.00 0.00 C ATOM 619 O HIS A 57 4.243 9.490 4.048 1.00 0.00 O ATOM 620 CB HIS A 57 3.599 12.597 4.483 1.00 0.00 C ATOM 621 CG HIS A 57 2.429 11.857 5.053 1.00 0.00 C ATOM 622 ND1 HIS A 57 1.196 11.827 4.437 1.00 0.00 N ATOM 623 CD2 HIS A 57 2.304 11.122 6.183 1.00 0.00 C ATOM 624 CE1 HIS A 57 0.362 11.103 5.163 1.00 0.00 C ATOM 625 NE2 HIS A 57 1.010 10.664 6.227 1.00 0.00 N ATOM 0 H HIS A 57 3.115 10.583 2.275 1.00 0.00 H new ATOM 0 HA HIS A 57 5.213 12.402 3.073 1.00 0.00 H new ATOM 0 HB2 HIS A 57 4.278 12.865 5.293 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.248 13.529 4.040 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.077 10.932 6.913 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -0.673 10.904 4.927 1.00 0.00 H new ATOM 0 HE2 HIS A 57 0.613 10.079 6.963 1.00 0.00 H new ATOM 633 N PHE A 58 6.138 10.590 4.560 1.00 0.00 N ATOM 634 CA PHE A 58 6.787 9.426 5.150 1.00 0.00 C ATOM 635 C PHE A 58 7.466 9.782 6.466 1.00 0.00 C ATOM 636 O PHE A 58 7.690 10.956 6.762 1.00 0.00 O ATOM 637 CB PHE A 58 7.816 8.839 4.182 1.00 0.00 C ATOM 638 CG PHE A 58 7.219 8.320 2.905 1.00 0.00 C ATOM 639 CD1 PHE A 58 7.024 9.163 1.821 1.00 0.00 C ATOM 640 CD2 PHE A 58 6.850 6.989 2.785 1.00 0.00 C ATOM 641 CE1 PHE A 58 6.475 8.686 0.645 1.00 0.00 C ATOM 642 CE2 PHE A 58 6.302 6.509 1.611 1.00 0.00 C ATOM 643 CZ PHE A 58 6.114 7.360 0.540 1.00 0.00 C ATOM 0 H PHE A 58 6.699 11.442 4.583 1.00 0.00 H new ATOM 0 HA PHE A 58 6.015 8.682 5.349 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.554 9.605 3.942 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.348 8.028 4.679 1.00 0.00 H new ATOM 0 HD1 PHE A 58 7.304 10.203 1.896 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.993 6.319 3.620 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.329 9.353 -0.192 1.00 0.00 H new ATOM 0 HE2 PHE A 58 6.021 5.469 1.531 1.00 0.00 H new ATOM 0 HZ PHE A 58 5.685 6.987 -0.378 1.00 0.00 H new ATOM 653 N GLU A 59 7.793 8.763 7.253 1.00 0.00 N ATOM 654 CA GLU A 59 8.425 8.968 8.551 1.00 0.00 C ATOM 655 C GLU A 59 9.782 9.643 8.401 1.00 0.00 C ATOM 656 O GLU A 59 10.147 10.509 9.197 1.00 0.00 O ATOM 657 CB GLU A 59 8.586 7.634 9.283 1.00 0.00 C ATOM 658 CG GLU A 59 7.277 7.003 9.734 1.00 0.00 C ATOM 659 CD GLU A 59 7.468 5.659 10.382 1.00 0.00 C ATOM 660 OE1 GLU A 59 8.173 5.587 11.359 1.00 0.00 O ATOM 661 OE2 GLU A 59 6.908 4.704 9.898 1.00 0.00 O1- ATOM 0 H GLU A 59 7.630 7.785 7.014 1.00 0.00 H new ATOM 0 HA GLU A 59 7.779 9.622 9.137 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.106 6.935 8.628 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.221 7.786 10.155 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.780 7.672 10.436 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.616 6.896 8.874 1.00 0.00 H new ATOM 668 N THR A 60 10.528 9.242 7.377 1.00 0.00 N ATOM 669 CA THR A 60 11.875 9.758 7.162 1.00 0.00 C ATOM 670 C THR A 60 12.314 9.563 5.716 1.00 0.00 C ATOM 671 O THR A 60 11.659 8.859 4.948 1.00 0.00 O ATOM 672 CB THR A 60 12.885 9.080 8.106 1.00 0.00 C ATOM 673 OG1 THR A 60 14.154 9.739 8.003 1.00 0.00 O ATOM 674 CG2 THR A 60 13.050 7.612 7.746 1.00 0.00 C ATOM 0 H THR A 60 10.222 8.561 6.682 1.00 0.00 H new ATOM 0 HA THR A 60 11.851 10.826 7.380 1.00 0.00 H new ATOM 0 HB THR A 60 12.511 9.153 9.127 1.00 0.00 H new ATOM 0 HG1 THR A 60 14.015 10.682 7.774 1.00 0.00 H new ATOM 0 HG21 THR A 60 13.767 7.150 8.424 1.00 0.00 H new ATOM 0 HG22 THR A 60 12.089 7.105 7.834 1.00 0.00 H new ATOM 0 HG23 THR A 60 13.412 7.527 6.721 1.00 0.00 H new ATOM 682 N LEU A 61 13.428 10.190 5.352 1.00 0.00 N ATOM 683 CA LEU A 61 13.942 10.109 3.990 1.00 0.00 C ATOM 684 C LEU A 61 14.132 8.661 3.558 1.00 0.00 C ATOM 685 O LEU A 61 13.788 8.287 2.436 1.00 0.00 O ATOM 686 CB LEU A 61 15.274 10.861 3.881 1.00 0.00 C ATOM 687 CG LEU A 61 15.932 10.851 2.496 1.00 0.00 C ATOM 688 CD1 LEU A 61 15.017 11.542 1.494 1.00 0.00 C ATOM 689 CD2 LEU A 61 17.284 11.545 2.570 1.00 0.00 C ATOM 0 H LEU A 61 13.992 10.760 5.982 1.00 0.00 H new ATOM 0 HA LEU A 61 13.210 10.572 3.328 1.00 0.00 H new ATOM 0 HB2 LEU A 61 15.111 11.897 4.178 1.00 0.00 H new ATOM 0 HB3 LEU A 61 15.973 10.430 4.598 1.00 0.00 H new ATOM 0 HG LEU A 61 16.090 9.824 2.167 1.00 0.00 H new ATOM 0 HD11 LEU A 61 15.485 11.535 0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 61 14.064 11.014 1.447 1.00 0.00 H new ATOM 0 HD13 LEU A 61 14.846 12.572 1.807 1.00 0.00 H new ATOM 0 HD21 LEU A 61 17.751 11.538 1.585 1.00 0.00 H new ATOM 0 HD22 LEU A 61 17.147 12.575 2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 61 17.924 11.020 3.279 1.00 0.00 H new ATOM 701 N LEU A 62 14.681 7.848 4.454 1.00 0.00 N ATOM 702 CA LEU A 62 14.999 6.461 4.138 1.00 0.00 C ATOM 703 C LEU A 62 13.751 5.688 3.732 1.00 0.00 C ATOM 704 O LEU A 62 13.793 4.850 2.832 1.00 0.00 O ATOM 705 CB LEU A 62 15.660 5.781 5.343 1.00 0.00 C ATOM 706 CG LEU A 62 17.065 6.282 5.702 1.00 0.00 C ATOM 707 CD1 LEU A 62 17.516 5.639 7.006 1.00 0.00 C ATOM 708 CD2 LEU A 62 18.026 5.955 4.569 1.00 0.00 C ATOM 0 H LEU A 62 14.915 8.127 5.407 1.00 0.00 H new ATOM 0 HA LEU A 62 15.692 6.460 3.297 1.00 0.00 H new ATOM 0 HB2 LEU A 62 15.014 5.914 6.211 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.715 4.710 5.147 1.00 0.00 H new ATOM 0 HG LEU A 62 17.051 7.363 5.839 1.00 0.00 H new ATOM 0 HD11 LEU A 62 18.514 5.995 7.261 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.821 5.906 7.802 1.00 0.00 H new ATOM 0 HD13 LEU A 62 17.536 4.555 6.890 1.00 0.00 H new ATOM 0 HD21 LEU A 62 19.024 6.311 4.824 1.00 0.00 H new ATOM 0 HD22 LEU A 62 18.054 4.876 4.415 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.690 6.443 3.654 1.00 0.00 H new ATOM 720 N LYS A 63 12.640 5.975 4.403 1.00 0.00 N ATOM 721 CA LYS A 63 11.390 5.266 4.153 1.00 0.00 C ATOM 722 C LYS A 63 10.823 5.616 2.784 1.00 0.00 C ATOM 723 O LYS A 63 10.372 4.740 2.046 1.00 0.00 O ATOM 724 CB LYS A 63 10.366 5.586 5.244 1.00 0.00 C ATOM 725 CG LYS A 63 9.071 4.791 5.143 1.00 0.00 C ATOM 726 CD LYS A 63 8.118 5.142 6.276 1.00 0.00 C ATOM 727 CE LYS A 63 6.858 4.291 6.224 1.00 0.00 C ATOM 728 NZ LYS A 63 5.894 4.657 7.296 1.00 0.00 N1+ ATOM 0 H LYS A 63 12.580 6.694 5.124 1.00 0.00 H new ATOM 0 HA LYS A 63 11.603 4.197 4.170 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.819 5.397 6.217 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.130 6.649 5.203 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.591 4.993 4.185 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.293 3.724 5.169 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.619 4.996 7.233 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.850 6.197 6.214 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.381 4.409 5.251 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.127 3.239 6.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.050 4.054 7.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.340 4.520 8.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.617 5.654 7.188 1.00 0.00 H new ATOM 742 N CYS A 64 10.848 6.902 2.449 1.00 0.00 N ATOM 743 CA CYS A 64 10.286 7.377 1.190 1.00 0.00 C ATOM 744 C CYS A 64 11.125 6.917 0.005 1.00 0.00 C ATOM 745 O CYS A 64 10.612 6.741 -1.100 1.00 0.00 O ATOM 746 CB CYS A 64 10.197 8.903 1.183 1.00 0.00 C ATOM 747 SG CYS A 64 11.797 9.736 1.048 1.00 0.00 S ATOM 0 H CYS A 64 11.252 7.634 3.033 1.00 0.00 H new ATOM 0 HA CYS A 64 9.285 6.955 1.098 1.00 0.00 H new ATOM 0 HB2 CYS A 64 9.566 9.216 0.351 1.00 0.00 H new ATOM 0 HB3 CYS A 64 9.705 9.232 2.098 1.00 0.00 H new ATOM 752 N ASN A 65 12.418 6.724 0.241 1.00 0.00 N ATOM 753 CA ASN A 65 13.318 6.217 -0.789 1.00 0.00 C ATOM 754 C ASN A 65 13.036 4.751 -1.094 1.00 0.00 C ATOM 755 O ASN A 65 12.901 4.363 -2.254 1.00 0.00 O ATOM 756 CB ASN A 65 14.765 6.407 -0.374 1.00 0.00 C ATOM 757 CG ASN A 65 15.211 7.840 -0.473 1.00 0.00 C ATOM 758 OD1 ASN A 65 14.556 8.663 -1.122 1.00 0.00 O ATOM 759 ND2 ASN A 65 16.312 8.154 0.160 1.00 0.00 N ATOM 0 H ASN A 65 12.867 6.911 1.138 1.00 0.00 H new ATOM 0 HA ASN A 65 13.141 6.789 -1.700 1.00 0.00 H new ATOM 0 HB2 ASN A 65 14.894 6.060 0.651 1.00 0.00 H new ATOM 0 HB3 ASN A 65 15.404 5.787 -1.003 1.00 0.00 H new ATOM 0 HD21 ASN A 65 16.662 9.112 0.130 1.00 0.00 H new ATOM 0 HD22 ASN A 65 16.820 7.441 0.684 1.00 0.00 H new ATOM 766 N GLU A 66 12.947 3.940 -0.045 1.00 0.00 N ATOM 767 CA GLU A 66 12.677 2.516 -0.198 1.00 0.00 C ATOM 768 C GLU A 66 11.282 2.278 -0.761 1.00 0.00 C ATOM 769 O GLU A 66 11.085 1.412 -1.613 1.00 0.00 O ATOM 770 CB GLU A 66 12.826 1.797 1.145 1.00 0.00 C ATOM 771 CG GLU A 66 14.256 1.712 1.657 1.00 0.00 C ATOM 772 CD GLU A 66 14.358 1.043 3.000 1.00 0.00 C ATOM 773 OE1 GLU A 66 13.338 0.774 3.587 1.00 0.00 O ATOM 774 OE2 GLU A 66 15.458 0.802 3.439 1.00 0.00 O1- ATOM 0 H GLU A 66 13.058 4.246 0.922 1.00 0.00 H new ATOM 0 HA GLU A 66 13.405 2.113 -0.902 1.00 0.00 H new ATOM 0 HB2 GLU A 66 12.217 2.311 1.888 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.427 0.787 1.049 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.863 1.163 0.936 1.00 0.00 H new ATOM 0 HG3 GLU A 66 14.673 2.717 1.725 1.00 0.00 H new ATOM 781 N SER A 67 10.315 3.051 -0.278 1.00 0.00 N ATOM 782 CA SER A 67 8.930 2.906 -0.711 1.00 0.00 C ATOM 783 C SER A 67 8.788 3.176 -2.203 1.00 0.00 C ATOM 784 O SER A 67 8.101 2.443 -2.914 1.00 0.00 O ATOM 785 CB SER A 67 8.037 3.850 0.070 1.00 0.00 C ATOM 786 OG SER A 67 7.995 3.495 1.425 1.00 0.00 O ATOM 0 H SER A 67 10.465 3.785 0.414 1.00 0.00 H new ATOM 0 HA SER A 67 8.624 1.878 -0.519 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.405 4.871 -0.031 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.030 3.831 -0.346 1.00 0.00 H new ATOM 0 HG SER A 67 8.788 3.848 1.880 1.00 0.00 H new ATOM 792 N CYS A 68 9.441 4.234 -2.673 1.00 0.00 N ATOM 793 CA CYS A 68 9.405 4.592 -4.086 1.00 0.00 C ATOM 794 C CYS A 68 10.165 3.577 -4.930 1.00 0.00 C ATOM 795 O CYS A 68 9.755 3.252 -6.044 1.00 0.00 O ATOM 796 CB CYS A 68 10.005 5.981 -4.304 1.00 0.00 C ATOM 797 SG CYS A 68 9.019 7.329 -3.609 1.00 0.00 S ATOM 0 H CYS A 68 10.002 4.859 -2.095 1.00 0.00 H new ATOM 0 HA CYS A 68 8.360 4.596 -4.397 1.00 0.00 H new ATOM 0 HB2 CYS A 68 11.001 6.008 -3.862 1.00 0.00 H new ATOM 0 HB3 CYS A 68 10.127 6.149 -5.374 1.00 0.00 H new ATOM 802 N ASN A 69 11.274 3.081 -4.393 1.00 0.00 N ATOM 803 CA ASN A 69 12.085 2.089 -5.090 1.00 0.00 C ATOM 804 C ASN A 69 11.329 0.777 -5.255 1.00 0.00 C ATOM 805 O ASN A 69 11.523 0.057 -6.234 1.00 0.00 O ATOM 806 CB ASN A 69 13.395 1.862 -4.359 1.00 0.00 C ATOM 807 CG ASN A 69 14.349 3.014 -4.510 1.00 0.00 C ATOM 808 OD1 ASN A 69 14.173 3.871 -5.384 1.00 0.00 O ATOM 809 ND2 ASN A 69 15.357 3.051 -3.677 1.00 0.00 N ATOM 0 H ASN A 69 11.632 3.350 -3.477 1.00 0.00 H new ATOM 0 HA ASN A 69 12.306 2.476 -6.085 1.00 0.00 H new ATOM 0 HB2 ASN A 69 13.193 1.699 -3.300 1.00 0.00 H new ATOM 0 HB3 ASN A 69 13.865 0.954 -4.737 1.00 0.00 H new ATOM 0 HD21 ASN A 69 16.037 3.809 -3.733 1.00 0.00 H new ATOM 0 HD22 ASN A 69 15.463 2.322 -2.971 1.00 0.00 H new ATOM 816 N ASP A 70 10.466 0.472 -4.292 1.00 0.00 N ATOM 817 CA ASP A 70 9.722 -0.782 -4.299 1.00 0.00 C ATOM 818 C ASP A 70 8.361 -0.612 -4.963 1.00 0.00 C ATOM 819 O ASP A 70 7.525 -1.514 -4.927 1.00 0.00 O ATOM 820 CB ASP A 70 9.538 -1.304 -2.872 1.00 0.00 C ATOM 821 CG ASP A 70 10.845 -1.751 -2.232 1.00 0.00 C ATOM 822 OD1 ASP A 70 11.756 -2.080 -2.954 1.00 0.00 O ATOM 823 OD2 ASP A 70 10.921 -1.757 -1.026 1.00 0.00 O1- ATOM 0 H ASP A 70 10.264 1.077 -3.496 1.00 0.00 H new ATOM 0 HA ASP A 70 10.299 -1.506 -4.874 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.088 -0.522 -2.260 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.840 -2.141 -2.884 1.00 0.00 H new ATOM 828 N ALA A 71 8.145 0.551 -5.568 1.00 0.00 N ATOM 829 CA ALA A 71 6.901 0.827 -6.277 1.00 0.00 C ATOM 830 C ALA A 71 6.844 0.077 -7.601 1.00 0.00 C ATOM 831 O ALA A 71 7.864 -0.108 -8.265 1.00 0.00 O ATOM 832 CB ALA A 71 6.743 2.322 -6.508 1.00 0.00 C ATOM 0 H ALA A 71 8.816 1.319 -5.581 1.00 0.00 H new ATOM 0 HA ALA A 71 6.076 0.478 -5.656 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.810 2.512 -7.038 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.727 2.839 -5.548 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.579 2.689 -7.103 1.00 0.00 H new ATOM 838 N PRO A 72 5.645 -0.353 -7.981 1.00 0.00 N ATOM 839 CA PRO A 72 5.440 -1.017 -9.263 1.00 0.00 C ATOM 840 C PRO A 72 5.918 -0.146 -10.417 1.00 0.00 C ATOM 841 O PRO A 72 6.330 -0.653 -11.461 1.00 0.00 O ATOM 842 CB PRO A 72 3.922 -1.225 -9.303 1.00 0.00 C ATOM 843 CG PRO A 72 3.520 -1.267 -7.868 1.00 0.00 C ATOM 844 CD PRO A 72 4.407 -0.249 -7.202 1.00 0.00 C ATOM 0 HA PRO A 72 5.999 -1.947 -9.362 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.423 -0.414 -9.833 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.660 -2.150 -9.817 1.00 0.00 H new ATOM 0 HG2 PRO A 72 2.466 -1.019 -7.743 1.00 0.00 H new ATOM 0 HG3 PRO A 72 3.666 -2.260 -7.443 1.00 0.00 H new ATOM 0 HD2 PRO A 72 3.981 0.753 -7.248 1.00 0.00 H new ATOM 0 HD3 PRO A 72 4.569 -0.478 -6.149 1.00 0.00 H new ATOM 852 N LYS A 73 5.861 1.168 -10.224 1.00 0.00 N ATOM 853 CA LYS A 73 6.222 2.113 -11.274 1.00 0.00 C ATOM 854 C LYS A 73 7.698 2.003 -11.631 1.00 0.00 C ATOM 855 O LYS A 73 8.533 1.704 -10.776 1.00 0.00 O ATOM 856 CB LYS A 73 5.889 3.543 -10.845 1.00 0.00 C ATOM 857 CG LYS A 73 4.407 3.799 -10.605 1.00 0.00 C ATOM 858 CD LYS A 73 3.611 3.686 -11.897 1.00 0.00 C ATOM 859 CE LYS A 73 2.149 4.046 -11.680 1.00 0.00 C ATOM 860 NZ LYS A 73 1.345 3.884 -12.922 1.00 0.00 N1+ ATOM 0 H LYS A 73 5.568 1.603 -9.349 1.00 0.00 H new ATOM 0 HA LYS A 73 5.639 1.865 -12.161 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.437 3.772 -9.931 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.245 4.231 -11.612 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.025 3.084 -9.876 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.272 4.793 -10.178 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.042 4.345 -12.651 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.684 2.669 -12.284 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.733 3.416 -10.894 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.077 5.077 -11.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.355 4.139 -12.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.725 4.504 -13.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.392 2.895 -13.239 1.00 0.00 H new ATOM 874 N PRO A 74 8.016 2.246 -12.898 1.00 0.00 N ATOM 875 CA PRO A 74 9.381 2.099 -13.387 1.00 0.00 C ATOM 876 C PRO A 74 10.253 3.267 -12.944 1.00 0.00 C ATOM 877 O PRO A 74 9.749 4.291 -12.482 1.00 0.00 O ATOM 878 CB PRO A 74 9.201 2.075 -14.908 1.00 0.00 C ATOM 879 CG PRO A 74 7.977 2.892 -15.145 1.00 0.00 C ATOM 880 CD PRO A 74 7.068 2.546 -13.996 1.00 0.00 C ATOM 0 HA PRO A 74 9.883 1.210 -13.005 1.00 0.00 H new ATOM 0 HB2 PRO A 74 10.067 2.498 -15.418 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.078 1.057 -15.278 1.00 0.00 H new ATOM 0 HG2 PRO A 74 8.207 3.957 -15.163 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.517 2.650 -16.103 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.406 3.374 -13.742 1.00 0.00 H new ATOM 0 HD3 PRO A 74 6.434 1.690 -14.227 1.00 0.00 H new ATOM 888 N PRO A 75 11.565 3.107 -13.086 1.00 0.00 N ATOM 889 CA PRO A 75 12.506 4.173 -12.766 1.00 0.00 C ATOM 890 C PRO A 75 12.155 5.458 -13.505 1.00 0.00 C ATOM 891 O PRO A 75 12.417 6.557 -13.018 1.00 0.00 O ATOM 892 CB PRO A 75 13.848 3.601 -13.235 1.00 0.00 C ATOM 893 CG PRO A 75 13.669 2.124 -13.137 1.00 0.00 C ATOM 894 CD PRO A 75 12.241 1.891 -13.552 1.00 0.00 C ATOM 0 HA PRO A 75 12.506 4.446 -11.711 1.00 0.00 H new ATOM 0 HB2 PRO A 75 14.077 3.908 -14.256 1.00 0.00 H new ATOM 0 HB3 PRO A 75 14.669 3.945 -12.607 1.00 0.00 H new ATOM 0 HG2 PRO A 75 14.364 1.595 -13.790 1.00 0.00 H new ATOM 0 HG3 PRO A 75 13.851 1.768 -12.123 1.00 0.00 H new ATOM 0 HD2 PRO A 75 12.149 1.765 -14.631 1.00 0.00 H new ATOM 0 HD3 PRO A 75 11.826 0.995 -13.090 1.00 0.00 H new ATOM 902 N CYS A 76 11.560 5.313 -14.685 1.00 0.00 N ATOM 903 CA CYS A 76 11.294 6.452 -15.554 1.00 0.00 C ATOM 904 C CYS A 76 10.129 7.284 -15.031 1.00 0.00 C ATOM 905 O CYS A 76 9.820 8.345 -15.572 1.00 0.00 O ATOM 906 CB CYS A 76 10.981 5.983 -16.975 1.00 0.00 C ATOM 907 SG CYS A 76 12.371 5.186 -17.813 1.00 0.00 S ATOM 0 H CYS A 76 11.253 4.416 -15.061 1.00 0.00 H new ATOM 0 HA CYS A 76 12.191 7.071 -15.565 1.00 0.00 H new ATOM 0 HB2 CYS A 76 10.144 5.286 -16.940 1.00 0.00 H new ATOM 0 HB3 CYS A 76 10.657 6.840 -17.566 1.00 0.00 H new ATOM 912 N SER A 77 9.487 6.795 -13.975 1.00 0.00 N ATOM 913 CA SER A 77 8.369 7.503 -13.364 1.00 0.00 C ATOM 914 C SER A 77 8.858 8.599 -12.425 1.00 0.00 C ATOM 915 O SER A 77 8.102 9.497 -12.056 1.00 0.00 O ATOM 916 CB SER A 77 7.488 6.531 -12.605 1.00 0.00 C ATOM 917 OG SER A 77 8.143 6.043 -11.466 1.00 0.00 O ATOM 0 H SER A 77 9.722 5.911 -13.525 1.00 0.00 H new ATOM 0 HA SER A 77 7.790 7.969 -14.161 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.562 7.026 -12.312 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.213 5.700 -13.255 1.00 0.00 H new ATOM 0 HG SER A 77 8.483 5.142 -11.645 1.00 0.00 H new ATOM 923 N LEU A 78 10.128 8.518 -12.041 1.00 0.00 N ATOM 924 CA LEU A 78 10.710 9.479 -11.111 1.00 0.00 C ATOM 925 C LEU A 78 11.668 10.425 -11.824 1.00 0.00 C ATOM 926 O LEU A 78 12.229 10.086 -12.866 1.00 0.00 O ATOM 927 CB LEU A 78 11.448 8.746 -9.984 1.00 0.00 C ATOM 928 CG LEU A 78 10.596 7.783 -9.147 1.00 0.00 C ATOM 929 CD1 LEU A 78 11.478 7.088 -8.118 1.00 0.00 C ATOM 930 CD2 LEU A 78 9.472 8.554 -8.473 1.00 0.00 C ATOM 0 H LEU A 78 10.774 7.796 -12.360 1.00 0.00 H new ATOM 0 HA LEU A 78 9.897 10.069 -10.687 1.00 0.00 H new ATOM 0 HB2 LEU A 78 12.274 8.185 -10.421 1.00 0.00 H new ATOM 0 HB3 LEU A 78 11.884 9.489 -9.317 1.00 0.00 H new ATOM 0 HG LEU A 78 10.153 7.022 -9.790 1.00 0.00 H new ATOM 0 HD11 LEU A 78 10.873 6.404 -7.523 1.00 0.00 H new ATOM 0 HD12 LEU A 78 12.262 6.529 -8.629 1.00 0.00 H new ATOM 0 HD13 LEU A 78 11.931 7.833 -7.464 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.867 7.870 -7.878 1.00 0.00 H new ATOM 0 HD22 LEU A 78 9.895 9.321 -7.825 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.847 9.025 -9.232 1.00 0.00 H new ATOM 942 N GLU A 79 11.852 11.612 -11.256 1.00 0.00 N ATOM 943 CA GLU A 79 12.675 12.641 -11.880 1.00 0.00 C ATOM 944 C GLU A 79 14.142 12.476 -11.504 1.00 0.00 C ATOM 945 O GLU A 79 14.488 11.641 -10.668 1.00 0.00 O ATOM 946 CB GLU A 79 12.187 14.033 -11.474 1.00 0.00 C ATOM 947 CG GLU A 79 10.812 14.400 -12.013 1.00 0.00 C ATOM 948 CD GLU A 79 10.250 15.644 -11.383 1.00 0.00 C ATOM 949 OE1 GLU A 79 10.218 16.657 -12.040 1.00 0.00 O ATOM 950 OE2 GLU A 79 9.851 15.582 -10.244 1.00 0.00 O1- ATOM 0 H GLU A 79 11.441 11.885 -10.363 1.00 0.00 H new ATOM 0 HA GLU A 79 12.584 12.531 -12.961 1.00 0.00 H new ATOM 0 HB2 GLU A 79 12.165 14.094 -10.386 1.00 0.00 H new ATOM 0 HB3 GLU A 79 12.909 14.773 -11.820 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.876 14.542 -13.092 1.00 0.00 H new ATOM 0 HG3 GLU A 79 10.126 13.570 -11.841 1.00 0.00 H new ATOM 957 N VAL A 80 15.000 13.277 -12.126 1.00 0.00 N ATOM 958 CA VAL A 80 16.437 13.185 -11.896 1.00 0.00 C ATOM 959 C VAL A 80 16.787 13.524 -10.453 1.00 0.00 C ATOM 960 O VAL A 80 16.349 14.544 -9.921 1.00 0.00 O ATOM 961 CB VAL A 80 17.191 14.140 -12.842 1.00 0.00 C ATOM 962 CG1 VAL A 80 18.675 14.161 -12.505 1.00 0.00 C ATOM 963 CG2 VAL A 80 16.971 13.718 -14.286 1.00 0.00 C ATOM 0 H VAL A 80 14.725 13.998 -12.794 1.00 0.00 H new ATOM 0 HA VAL A 80 16.740 12.157 -12.096 1.00 0.00 H new ATOM 0 HB VAL A 80 16.801 15.149 -12.711 1.00 0.00 H new ATOM 0 HG11 VAL A 80 19.192 14.840 -13.183 1.00 0.00 H new ATOM 0 HG12 VAL A 80 18.810 14.500 -11.478 1.00 0.00 H new ATOM 0 HG13 VAL A 80 19.087 13.158 -12.613 1.00 0.00 H new ATOM 0 HG21 VAL A 80 17.507 14.397 -14.949 1.00 0.00 H new ATOM 0 HG22 VAL A 80 17.342 12.703 -14.429 1.00 0.00 H new ATOM 0 HG23 VAL A 80 15.906 13.751 -14.516 1.00 0.00 H new ATOM 973 N ASP A 81 17.578 12.662 -9.824 1.00 0.00 N ATOM 974 CA ASP A 81 18.036 12.898 -8.460 1.00 0.00 C ATOM 975 C ASP A 81 19.434 12.333 -8.242 1.00 0.00 C ATOM 976 O ASP A 81 19.600 11.139 -7.996 1.00 0.00 O ATOM 977 CB ASP A 81 17.066 12.275 -7.453 1.00 0.00 C ATOM 978 CG ASP A 81 17.468 12.529 -6.006 1.00 0.00 C ATOM 979 OD1 ASP A 81 18.539 13.045 -5.790 1.00 0.00 O ATOM 980 OD2 ASP A 81 16.700 12.206 -5.132 1.00 0.00 O1- ATOM 0 H ASP A 81 17.916 11.793 -10.237 1.00 0.00 H new ATOM 0 HA ASP A 81 18.071 13.976 -8.306 1.00 0.00 H new ATOM 0 HB2 ASP A 81 16.067 12.676 -7.623 1.00 0.00 H new ATOM 0 HB3 ASP A 81 17.011 11.200 -7.626 1.00 0.00 H new ATOM 985 N TYR A 82 20.437 13.199 -8.335 1.00 0.00 N ATOM 986 CA TYR A 82 21.827 12.780 -8.195 1.00 0.00 C ATOM 987 C TYR A 82 22.397 13.205 -6.848 1.00 0.00 C ATOM 988 O TYR A 82 23.613 13.246 -6.663 1.00 0.00 O ATOM 989 CB TYR A 82 22.675 13.350 -9.334 1.00 0.00 C ATOM 990 CG TYR A 82 22.501 14.839 -9.538 1.00 0.00 C ATOM 991 CD1 TYR A 82 23.222 15.735 -8.762 1.00 0.00 C ATOM 992 CD2 TYR A 82 21.621 15.308 -10.502 1.00 0.00 C ATOM 993 CE1 TYR A 82 23.063 17.094 -8.949 1.00 0.00 C ATOM 994 CE2 TYR A 82 21.463 16.668 -10.689 1.00 0.00 C ATOM 995 CZ TYR A 82 22.179 17.559 -9.917 1.00 0.00 C ATOM 996 OH TYR A 82 22.021 18.913 -10.103 1.00 0.00 O ATOM 0 H TYR A 82 20.313 14.197 -8.507 1.00 0.00 H new ATOM 0 HA TYR A 82 21.856 11.692 -8.246 1.00 0.00 H new ATOM 0 HB2 TYR A 82 23.726 13.141 -9.132 1.00 0.00 H new ATOM 0 HB3 TYR A 82 22.419 12.833 -10.259 1.00 0.00 H new ATOM 0 HD1 TYR A 82 23.908 15.370 -8.012 1.00 0.00 H new ATOM 0 HD2 TYR A 82 21.060 14.611 -11.106 1.00 0.00 H new ATOM 0 HE1 TYR A 82 23.623 17.793 -8.346 1.00 0.00 H new ATOM 0 HE2 TYR A 82 20.778 17.034 -11.440 1.00 0.00 H new ATOM 0 HH TYR A 82 21.369 19.071 -10.817 1.00 0.00 H new ATOM 1006 N GLY A 83 21.511 13.520 -5.909 1.00 0.00 N ATOM 1007 CA GLY A 83 21.921 13.852 -4.550 1.00 0.00 C ATOM 1008 C GLY A 83 22.495 15.262 -4.476 1.00 0.00 C ATOM 1009 O GLY A 83 22.525 15.983 -5.473 1.00 0.00 O ATOM 0 H GLY A 83 20.503 13.552 -6.065 1.00 0.00 H new ATOM 0 HA2 GLY A 83 21.066 13.769 -3.879 1.00 0.00 H new ATOM 0 HA3 GLY A 83 22.666 13.135 -4.207 1.00 0.00 H new ATOM 1013 N VAL A 84 22.949 15.648 -3.289 1.00 0.00 N ATOM 1014 CA VAL A 84 23.575 16.951 -3.095 1.00 0.00 C ATOM 1015 C VAL A 84 24.897 16.822 -2.349 1.00 0.00 C ATOM 1016 O VAL A 84 25.168 17.573 -1.413 1.00 0.00 O ATOM 1017 CB VAL A 84 22.635 17.884 -2.310 1.00 0.00 C ATOM 1018 CG1 VAL A 84 21.412 18.234 -3.145 1.00 0.00 C ATOM 1019 CG2 VAL A 84 22.225 17.225 -1.002 1.00 0.00 C ATOM 0 H VAL A 84 22.895 15.077 -2.446 1.00 0.00 H new ATOM 0 HA VAL A 84 23.771 17.374 -4.080 1.00 0.00 H new ATOM 0 HB VAL A 84 23.164 18.809 -2.083 1.00 0.00 H new ATOM 0 HG11 VAL A 84 20.759 18.894 -2.574 1.00 0.00 H new ATOM 0 HG12 VAL A 84 21.727 18.737 -4.059 1.00 0.00 H new ATOM 0 HG13 VAL A 84 20.873 17.322 -3.400 1.00 0.00 H new ATOM 0 HG21 VAL A 84 21.560 17.891 -0.452 1.00 0.00 H new ATOM 0 HG22 VAL A 84 21.708 16.289 -1.213 1.00 0.00 H new ATOM 0 HG23 VAL A 84 23.113 17.022 -0.403 1.00 0.00 H new ATOM 1029 N GLY A 85 25.717 15.865 -2.770 1.00 0.00 N ATOM 1030 CA GLY A 85 26.938 15.529 -2.047 1.00 0.00 C ATOM 1031 C GLY A 85 28.147 16.231 -2.651 1.00 0.00 C ATOM 1032 O GLY A 85 28.063 17.389 -3.062 1.00 0.00 O ATOM 0 H GLY A 85 25.558 15.308 -3.609 1.00 0.00 H new ATOM 0 HA2 GLY A 85 26.834 15.814 -1.000 1.00 0.00 H new ATOM 0 HA3 GLY A 85 27.092 14.450 -2.070 1.00 0.00 H new ATOM 1036 N ARG A 86 29.271 15.524 -2.703 1.00 0.00 N ATOM 1037 CA ARG A 86 30.537 16.126 -3.104 1.00 0.00 C ATOM 1038 C ARG A 86 31.341 15.181 -3.987 1.00 0.00 C ATOM 1039 O ARG A 86 32.381 15.556 -4.528 1.00 0.00 O ATOM 1040 CB ARG A 86 31.363 16.500 -1.882 1.00 0.00 C ATOM 1041 CG ARG A 86 30.759 17.590 -1.011 1.00 0.00 C ATOM 1042 CD ARG A 86 30.740 18.902 -1.708 1.00 0.00 C ATOM 1043 NE ARG A 86 30.208 19.958 -0.861 1.00 0.00 N ATOM 1044 CZ ARG A 86 28.904 20.282 -0.771 1.00 0.00 C ATOM 1045 NH1 ARG A 86 28.012 19.624 -1.479 1.00 0.00 N1+ ATOM 1046 NH2 ARG A 86 28.520 21.261 0.030 1.00 0.00 N ATOM 0 H ARG A 86 29.331 14.532 -2.472 1.00 0.00 H new ATOM 0 HA ARG A 86 30.306 17.026 -3.673 1.00 0.00 H new ATOM 0 HB2 ARG A 86 31.509 15.608 -1.273 1.00 0.00 H new ATOM 0 HB3 ARG A 86 32.349 16.825 -2.214 1.00 0.00 H new ATOM 0 HG2 ARG A 86 29.743 17.311 -0.732 1.00 0.00 H new ATOM 0 HG3 ARG A 86 31.331 17.677 -0.087 1.00 0.00 H new ATOM 0 HD2 ARG A 86 31.751 19.162 -2.020 1.00 0.00 H new ATOM 0 HD3 ARG A 86 30.137 18.824 -2.613 1.00 0.00 H new ATOM 0 HE ARG A 86 30.869 20.491 -0.295 1.00 0.00 H new ATOM 0 HH11 ARG A 86 28.308 18.868 -2.097 1.00 0.00 H new ATOM 0 HH12 ARG A 86 27.024 19.870 -1.411 1.00 0.00 H new ATOM 0 HH21 ARG A 86 29.211 21.771 0.580 1.00 0.00 H new ATOM 0 HH22 ARG A 86 27.532 21.506 0.098 1.00 0.00 H new ATOM 1060 N ALA A 87 30.853 13.954 -4.130 1.00 0.00 N ATOM 1061 CA ALA A 87 31.491 12.971 -4.998 1.00 0.00 C ATOM 1062 C ALA A 87 31.249 13.294 -6.467 1.00 0.00 C ATOM 1063 O ALA A 87 30.372 14.091 -6.801 1.00 0.00 O ATOM 1064 CB ALA A 87 30.988 11.572 -4.674 1.00 0.00 C ATOM 0 H ALA A 87 30.016 13.616 -3.655 1.00 0.00 H new ATOM 0 HA ALA A 87 32.565 13.010 -4.817 1.00 0.00 H new ATOM 0 HB1 ALA A 87 31.473 10.850 -5.330 1.00 0.00 H new ATOM 0 HB2 ALA A 87 31.221 11.333 -3.636 1.00 0.00 H new ATOM 0 HB3 ALA A 87 29.909 11.530 -4.823 1.00 0.00 H new ATOM 1070 N ASN A 88 32.032 12.671 -7.341 1.00 0.00 N ATOM 1071 CA ASN A 88 31.907 12.894 -8.776 1.00 0.00 C ATOM 1072 C ASN A 88 31.768 11.577 -9.529 1.00 0.00 C ATOM 1073 O ASN A 88 32.680 11.159 -10.241 1.00 0.00 O ATOM 1074 CB ASN A 88 33.092 13.685 -9.299 1.00 0.00 C ATOM 1075 CG ASN A 88 33.198 15.048 -8.673 1.00 0.00 C ATOM 1076 OD1 ASN A 88 32.417 15.952 -8.990 1.00 0.00 O ATOM 1077 ND2 ASN A 88 34.150 15.213 -7.791 1.00 0.00 N ATOM 0 H ASN A 88 32.761 12.007 -7.080 1.00 0.00 H new ATOM 0 HA ASN A 88 31.000 13.474 -8.946 1.00 0.00 H new ATOM 0 HB2 ASN A 88 34.009 13.128 -9.107 1.00 0.00 H new ATOM 0 HB3 ASN A 88 33.005 13.791 -10.380 1.00 0.00 H new ATOM 0 HD21 ASN A 88 34.271 16.117 -7.334 1.00 0.00 H new ATOM 0 HD22 ASN A 88 34.772 14.438 -7.560 1.00 0.00 H new ATOM 1084 N ILE A 89 30.620 10.927 -9.366 1.00 0.00 N ATOM 1085 CA ILE A 89 30.365 9.648 -10.019 1.00 0.00 C ATOM 1086 C ILE A 89 29.440 9.817 -11.218 1.00 0.00 C ATOM 1087 O ILE A 89 28.331 10.335 -11.090 1.00 0.00 O ATOM 1088 CB ILE A 89 29.748 8.641 -9.031 1.00 0.00 C ATOM 1089 CG1 ILE A 89 30.695 8.399 -7.853 1.00 0.00 C ATOM 1090 CG2 ILE A 89 29.427 7.333 -9.738 1.00 0.00 C ATOM 1091 CD1 ILE A 89 30.065 7.637 -6.710 1.00 0.00 C ATOM 0 H ILE A 89 29.851 11.265 -8.787 1.00 0.00 H new ATOM 0 HA ILE A 89 31.324 9.264 -10.367 1.00 0.00 H new ATOM 0 HB ILE A 89 28.819 9.059 -8.644 1.00 0.00 H new ATOM 0 HG12 ILE A 89 31.567 7.849 -8.207 1.00 0.00 H new ATOM 0 HG13 ILE A 89 31.053 9.360 -7.483 1.00 0.00 H new ATOM 0 HG21 ILE A 89 28.992 6.632 -9.026 1.00 0.00 H new ATOM 0 HG22 ILE A 89 28.717 7.520 -10.544 1.00 0.00 H new ATOM 0 HG23 ILE A 89 30.342 6.909 -10.152 1.00 0.00 H new ATOM 0 HD11 ILE A 89 30.797 7.505 -5.914 1.00 0.00 H new ATOM 0 HD12 ILE A 89 29.210 8.195 -6.328 1.00 0.00 H new ATOM 0 HD13 ILE A 89 29.732 6.661 -7.063 1.00 0.00 H new ATOM 1103 N PRO A 90 29.904 9.378 -12.382 1.00 0.00 N ATOM 1104 CA PRO A 90 29.134 9.511 -13.613 1.00 0.00 C ATOM 1105 C PRO A 90 27.966 8.533 -13.641 1.00 0.00 C ATOM 1106 O PRO A 90 28.123 7.375 -14.028 1.00 0.00 O ATOM 1107 CB PRO A 90 30.164 9.192 -14.701 1.00 0.00 C ATOM 1108 CG PRO A 90 31.131 8.276 -14.032 1.00 0.00 C ATOM 1109 CD PRO A 90 31.241 8.808 -12.628 1.00 0.00 C ATOM 0 HA PRO A 90 28.681 10.495 -13.734 1.00 0.00 H new ATOM 0 HB2 PRO A 90 29.697 8.717 -15.564 1.00 0.00 H new ATOM 0 HB3 PRO A 90 30.655 10.096 -15.061 1.00 0.00 H new ATOM 0 HG2 PRO A 90 30.773 7.246 -14.040 1.00 0.00 H new ATOM 0 HG3 PRO A 90 32.097 8.282 -14.536 1.00 0.00 H new ATOM 0 HD2 PRO A 90 31.480 8.019 -11.915 1.00 0.00 H new ATOM 0 HD3 PRO A 90 32.023 9.562 -12.543 1.00 0.00 H new ATOM 1117 N ARG A 91 26.795 9.006 -13.230 1.00 0.00 N ATOM 1118 CA ARG A 91 25.581 8.200 -13.284 1.00 0.00 C ATOM 1119 C ARG A 91 24.585 8.771 -14.284 1.00 0.00 C ATOM 1120 O ARG A 91 24.571 9.974 -14.543 1.00 0.00 O ATOM 1121 CB ARG A 91 24.930 8.120 -11.911 1.00 0.00 C ATOM 1122 CG ARG A 91 25.803 7.518 -10.822 1.00 0.00 C ATOM 1123 CD ARG A 91 26.179 6.115 -11.133 1.00 0.00 C ATOM 1124 NE ARG A 91 25.011 5.273 -11.336 1.00 0.00 N ATOM 1125 CZ ARG A 91 25.057 3.955 -11.615 1.00 0.00 C ATOM 1126 NH1 ARG A 91 26.217 3.346 -11.721 1.00 0.00 N1+ ATOM 1127 NH2 ARG A 91 23.936 3.276 -11.783 1.00 0.00 N ATOM 0 H ARG A 91 26.660 9.945 -12.855 1.00 0.00 H new ATOM 0 HA ARG A 91 25.866 7.199 -13.607 1.00 0.00 H new ATOM 0 HB2 ARG A 91 24.635 9.124 -11.606 1.00 0.00 H new ATOM 0 HB3 ARG A 91 24.017 7.530 -11.992 1.00 0.00 H new ATOM 0 HG2 ARG A 91 26.705 8.119 -10.705 1.00 0.00 H new ATOM 0 HG3 ARG A 91 25.272 7.550 -9.871 1.00 0.00 H new ATOM 0 HD2 ARG A 91 26.801 6.096 -12.028 1.00 0.00 H new ATOM 0 HD3 ARG A 91 26.780 5.711 -10.319 1.00 0.00 H new ATOM 0 HE ARG A 91 24.092 5.710 -11.262 1.00 0.00 H new ATOM 0 HH11 ARG A 91 27.082 3.871 -11.592 1.00 0.00 H new ATOM 0 HH12 ARG A 91 26.252 2.349 -11.932 1.00 0.00 H new ATOM 0 HH21 ARG A 91 23.036 3.749 -11.702 1.00 0.00 H new ATOM 0 HH22 ARG A 91 23.971 2.279 -11.994 1.00 0.00 H new ATOM 1141 N TRP A 92 23.750 7.901 -14.843 1.00 0.00 N ATOM 1142 CA TRP A 92 22.764 8.314 -15.834 1.00 0.00 C ATOM 1143 C TRP A 92 21.383 8.463 -15.207 1.00 0.00 C ATOM 1144 O TRP A 92 20.951 7.617 -14.425 1.00 0.00 O ATOM 1145 CB TRP A 92 22.701 7.301 -16.978 1.00 0.00 C ATOM 1146 CG TRP A 92 23.900 7.339 -17.877 1.00 0.00 C ATOM 1147 CD1 TRP A 92 25.062 6.647 -17.716 1.00 0.00 C ATOM 1148 CD2 TRP A 92 24.060 8.115 -19.090 1.00 0.00 C ATOM 1149 NE1 TRP A 92 25.932 6.937 -18.738 1.00 0.00 N ATOM 1150 CE2 TRP A 92 25.334 7.833 -19.589 1.00 0.00 C ATOM 1151 CE3 TRP A 92 23.236 9.012 -19.781 1.00 0.00 C ATOM 1152 CZ2 TRP A 92 25.813 8.416 -20.751 1.00 0.00 C ATOM 1153 CZ3 TRP A 92 23.716 9.596 -20.947 1.00 0.00 C ATOM 1154 CH2 TRP A 92 24.971 9.305 -21.420 1.00 0.00 C ATOM 0 H TRP A 92 23.737 6.904 -14.626 1.00 0.00 H new ATOM 0 HA TRP A 92 23.074 9.283 -16.226 1.00 0.00 H new ATOM 0 HB2 TRP A 92 22.601 6.299 -16.560 1.00 0.00 H new ATOM 0 HB3 TRP A 92 21.806 7.490 -17.571 1.00 0.00 H new ATOM 0 HD1 TRP A 92 25.269 5.968 -16.902 1.00 0.00 H new ATOM 0 HE1 TRP A 92 26.869 6.550 -18.847 1.00 0.00 H new ATOM 0 HE3 TRP A 92 22.247 9.245 -19.415 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 26.801 8.191 -21.125 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 23.091 10.290 -21.490 1.00 0.00 H new ATOM 0 HH2 TRP A 92 25.314 9.774 -22.330 1.00 0.00 H new ATOM 1165 N TYR A 93 20.695 9.545 -15.556 1.00 0.00 N ATOM 1166 CA TYR A 93 19.346 9.788 -15.059 1.00 0.00 C ATOM 1167 C TYR A 93 18.402 10.172 -16.191 1.00 0.00 C ATOM 1168 O TYR A 93 18.782 10.896 -17.111 1.00 0.00 O ATOM 1169 CB TYR A 93 19.359 10.880 -13.986 1.00 0.00 C ATOM 1170 CG TYR A 93 20.197 10.535 -12.775 1.00 0.00 C ATOM 1171 CD1 TYR A 93 21.562 10.782 -12.783 1.00 0.00 C ATOM 1172 CD2 TYR A 93 19.601 9.972 -11.657 1.00 0.00 C ATOM 1173 CE1 TYR A 93 22.328 10.468 -11.677 1.00 0.00 C ATOM 1174 CE2 TYR A 93 20.367 9.658 -10.551 1.00 0.00 C ATOM 1175 CZ TYR A 93 21.725 9.904 -10.559 1.00 0.00 C ATOM 1176 OH TYR A 93 22.487 9.590 -9.457 1.00 0.00 O ATOM 0 H TYR A 93 21.050 10.268 -16.182 1.00 0.00 H new ATOM 0 HA TYR A 93 18.982 8.862 -14.615 1.00 0.00 H new ATOM 0 HB2 TYR A 93 19.735 11.804 -14.425 1.00 0.00 H new ATOM 0 HB3 TYR A 93 18.335 11.073 -13.665 1.00 0.00 H new ATOM 0 HD1 TYR A 93 22.026 11.220 -13.654 1.00 0.00 H new ATOM 0 HD2 TYR A 93 18.538 9.779 -11.651 1.00 0.00 H new ATOM 0 HE1 TYR A 93 23.391 10.660 -11.681 1.00 0.00 H new ATOM 0 HE2 TYR A 93 19.903 9.220 -9.680 1.00 0.00 H new ATOM 0 HH TYR A 93 21.914 9.205 -8.762 1.00 0.00 H new ATOM 1186 N TYR A 94 17.169 9.681 -16.119 1.00 0.00 N ATOM 1187 CA TYR A 94 16.154 10.011 -17.112 1.00 0.00 C ATOM 1188 C TYR A 94 15.377 11.259 -16.711 1.00 0.00 C ATOM 1189 O TYR A 94 14.756 11.301 -15.649 1.00 0.00 O ATOM 1190 CB TYR A 94 15.198 8.833 -17.313 1.00 0.00 C ATOM 1191 CG TYR A 94 14.087 9.110 -18.300 1.00 0.00 C ATOM 1192 CD1 TYR A 94 14.376 9.243 -19.650 1.00 0.00 C ATOM 1193 CD2 TYR A 94 12.778 9.230 -17.856 1.00 0.00 C ATOM 1194 CE1 TYR A 94 13.360 9.496 -20.552 1.00 0.00 C ATOM 1195 CE2 TYR A 94 11.763 9.483 -18.758 1.00 0.00 C ATOM 1196 CZ TYR A 94 12.051 9.616 -20.101 1.00 0.00 C ATOM 1197 OH TYR A 94 11.039 9.868 -20.999 1.00 0.00 O ATOM 0 H TYR A 94 16.849 9.052 -15.382 1.00 0.00 H new ATOM 0 HA TYR A 94 16.662 10.216 -18.054 1.00 0.00 H new ATOM 0 HB2 TYR A 94 15.768 7.969 -17.655 1.00 0.00 H new ATOM 0 HB3 TYR A 94 14.759 8.565 -16.352 1.00 0.00 H new ATOM 0 HD1 TYR A 94 15.395 9.149 -19.996 1.00 0.00 H new ATOM 0 HD2 TYR A 94 12.553 9.126 -16.805 1.00 0.00 H new ATOM 0 HE1 TYR A 94 13.583 9.600 -21.604 1.00 0.00 H new ATOM 0 HE2 TYR A 94 10.744 9.577 -18.412 1.00 0.00 H new ATOM 0 HH TYR A 94 10.184 9.922 -20.522 1.00 0.00 H new ATOM 1207 N ASP A 95 15.414 12.274 -17.568 1.00 0.00 N ATOM 1208 CA ASP A 95 14.656 13.498 -17.339 1.00 0.00 C ATOM 1209 C ASP A 95 13.236 13.374 -17.876 1.00 0.00 C ATOM 1210 O ASP A 95 13.019 13.353 -19.088 1.00 0.00 O ATOM 1211 CB ASP A 95 15.354 14.692 -17.996 1.00 0.00 C ATOM 1212 CG ASP A 95 14.648 16.013 -17.724 1.00 0.00 C ATOM 1213 OD1 ASP A 95 13.489 15.986 -17.382 1.00 0.00 O ATOM 1214 OD2 ASP A 95 15.274 17.037 -17.861 1.00 0.00 O1- ATOM 0 H ASP A 95 15.962 12.273 -18.428 1.00 0.00 H new ATOM 0 HA ASP A 95 14.606 13.660 -16.262 1.00 0.00 H new ATOM 0 HB2 ASP A 95 16.380 14.752 -17.632 1.00 0.00 H new ATOM 0 HB3 ASP A 95 15.407 14.529 -19.072 1.00 0.00 H new ATOM 1219 N THR A 96 12.270 13.291 -16.967 1.00 0.00 N ATOM 1220 CA THR A 96 10.885 13.034 -17.342 1.00 0.00 C ATOM 1221 C THR A 96 10.228 14.284 -17.914 1.00 0.00 C ATOM 1222 O THR A 96 9.195 14.205 -18.579 1.00 0.00 O ATOM 1223 CB THR A 96 10.070 12.526 -16.139 1.00 0.00 C ATOM 1224 OG1 THR A 96 9.988 13.555 -15.145 1.00 0.00 O ATOM 1225 CG2 THR A 96 10.724 11.293 -15.534 1.00 0.00 C ATOM 0 H THR A 96 12.422 13.398 -15.964 1.00 0.00 H new ATOM 0 HA THR A 96 10.897 12.261 -18.111 1.00 0.00 H new ATOM 0 HB THR A 96 9.070 12.263 -16.483 1.00 0.00 H new ATOM 0 HG1 THR A 96 9.467 13.231 -14.381 1.00 0.00 H new ATOM 0 HG21 THR A 96 10.134 10.948 -14.685 1.00 0.00 H new ATOM 0 HG22 THR A 96 10.776 10.504 -16.284 1.00 0.00 H new ATOM 0 HG23 THR A 96 11.731 11.543 -15.199 1.00 0.00 H new ATOM 1233 N ASN A 97 10.833 15.437 -17.651 1.00 0.00 N ATOM 1234 CA ASN A 97 10.262 16.714 -18.064 1.00 0.00 C ATOM 1235 C ASN A 97 10.722 17.095 -19.466 1.00 0.00 C ATOM 1236 O ASN A 97 9.985 17.731 -20.219 1.00 0.00 O ATOM 1237 CB ASN A 97 10.617 17.804 -17.070 1.00 0.00 C ATOM 1238 CG ASN A 97 9.988 17.585 -15.723 1.00 0.00 C ATOM 1239 OD1 ASN A 97 8.803 17.247 -15.624 1.00 0.00 O ATOM 1240 ND2 ASN A 97 10.759 17.769 -14.681 1.00 0.00 N ATOM 0 H ASN A 97 11.720 15.514 -17.153 1.00 0.00 H new ATOM 0 HA ASN A 97 9.178 16.605 -18.085 1.00 0.00 H new ATOM 0 HB2 ASN A 97 11.700 17.850 -16.958 1.00 0.00 H new ATOM 0 HB3 ASN A 97 10.296 18.768 -17.464 1.00 0.00 H new ATOM 0 HD21 ASN A 97 10.387 17.633 -13.741 1.00 0.00 H new ATOM 0 HD22 ASN A 97 11.732 18.048 -14.809 1.00 0.00 H new ATOM 1247 N ASN A 98 11.944 16.702 -19.809 1.00 0.00 N ATOM 1248 CA ASN A 98 12.473 16.929 -21.149 1.00 0.00 C ATOM 1249 C ASN A 98 12.519 15.633 -21.949 1.00 0.00 C ATOM 1250 O ASN A 98 12.890 15.631 -23.123 1.00 0.00 O ATOM 1251 CB ASN A 98 13.850 17.562 -21.079 1.00 0.00 C ATOM 1252 CG ASN A 98 13.811 18.975 -20.566 1.00 0.00 C ATOM 1253 OD1 ASN A 98 13.273 19.873 -21.226 1.00 0.00 O ATOM 1254 ND2 ASN A 98 14.369 19.190 -19.403 1.00 0.00 N ATOM 0 H ASN A 98 12.587 16.225 -19.177 1.00 0.00 H new ATOM 0 HA ASN A 98 11.801 17.617 -21.663 1.00 0.00 H new ATOM 0 HB2 ASN A 98 14.489 16.962 -20.432 1.00 0.00 H new ATOM 0 HB3 ASN A 98 14.301 17.552 -22.071 1.00 0.00 H new ATOM 0 HD21 ASN A 98 14.372 20.129 -19.005 1.00 0.00 H new ATOM 0 HD22 ASN A 98 14.801 18.419 -18.894 1.00 0.00 H new ATOM 1261 N ALA A 99 12.140 14.533 -21.307 1.00 0.00 N ATOM 1262 CA ALA A 99 12.074 13.240 -21.977 1.00 0.00 C ATOM 1263 C ALA A 99 13.415 12.874 -22.601 1.00 0.00 C ATOM 1264 O ALA A 99 13.491 12.548 -23.785 1.00 0.00 O ATOM 1265 CB ALA A 99 10.982 13.247 -23.037 1.00 0.00 C ATOM 0 H ALA A 99 11.874 14.511 -20.323 1.00 0.00 H new ATOM 0 HA ALA A 99 11.833 12.485 -21.228 1.00 0.00 H new ATOM 0 HB1 ALA A 99 10.945 12.275 -23.528 1.00 0.00 H new ATOM 0 HB2 ALA A 99 10.020 13.453 -22.567 1.00 0.00 H new ATOM 0 HB3 ALA A 99 11.197 14.019 -23.776 1.00 0.00 H new ATOM 1271 N THR A 100 14.471 12.929 -21.796 1.00 0.00 N ATOM 1272 CA THR A 100 15.813 12.618 -22.272 1.00 0.00 C ATOM 1273 C THR A 100 16.687 12.082 -21.145 1.00 0.00 C ATOM 1274 O THR A 100 16.536 12.476 -19.988 1.00 0.00 O ATOM 1275 CB THR A 100 16.480 13.857 -22.898 1.00 0.00 C ATOM 1276 OG1 THR A 100 17.753 13.492 -23.447 1.00 0.00 O ATOM 1277 CG2 THR A 100 16.676 14.943 -21.852 1.00 0.00 C ATOM 0 H THR A 100 14.423 13.186 -20.810 1.00 0.00 H new ATOM 0 HA THR A 100 15.713 11.847 -23.036 1.00 0.00 H new ATOM 0 HB THR A 100 15.833 14.239 -23.687 1.00 0.00 H new ATOM 0 HG1 THR A 100 18.175 14.281 -23.846 1.00 0.00 H new ATOM 0 HG21 THR A 100 17.149 15.811 -22.312 1.00 0.00 H new ATOM 0 HG22 THR A 100 15.708 15.232 -21.442 1.00 0.00 H new ATOM 0 HG23 THR A 100 17.312 14.566 -21.051 1.00 0.00 H new ATOM 1285 N CYS A 101 17.601 11.181 -21.489 1.00 0.00 N ATOM 1286 CA CYS A 101 18.492 10.579 -20.504 1.00 0.00 C ATOM 1287 C CYS A 101 19.900 11.149 -20.613 1.00 0.00 C ATOM 1288 O CYS A 101 20.539 11.054 -21.661 1.00 0.00 O ATOM 1289 CB CYS A 101 18.546 9.062 -20.685 1.00 0.00 C ATOM 1290 SG CYS A 101 19.607 8.213 -19.492 1.00 0.00 S ATOM 0 H CYS A 101 17.744 10.851 -22.444 1.00 0.00 H new ATOM 0 HA CYS A 101 18.094 10.813 -19.517 1.00 0.00 H new ATOM 0 HB2 CYS A 101 17.535 8.661 -20.606 1.00 0.00 H new ATOM 0 HB3 CYS A 101 18.899 8.839 -21.692 1.00 0.00 H new ATOM 1295 N GLU A 102 20.379 11.742 -19.525 1.00 0.00 N ATOM 1296 CA GLU A 102 21.667 12.425 -19.528 1.00 0.00 C ATOM 1297 C GLU A 102 22.516 12.004 -18.336 1.00 0.00 C ATOM 1298 O GLU A 102 22.001 11.483 -17.347 1.00 0.00 O ATOM 1299 CB GLU A 102 21.466 13.942 -19.514 1.00 0.00 C ATOM 1300 CG GLU A 102 20.735 14.491 -20.731 1.00 0.00 C ATOM 1301 CD GLU A 102 20.567 15.984 -20.688 1.00 0.00 C ATOM 1302 OE1 GLU A 102 20.935 16.576 -19.702 1.00 0.00 O ATOM 1303 OE2 GLU A 102 20.070 16.534 -21.643 1.00 0.00 O1- ATOM 0 H GLU A 102 19.893 11.763 -18.628 1.00 0.00 H new ATOM 0 HA GLU A 102 22.192 12.142 -20.440 1.00 0.00 H new ATOM 0 HB2 GLU A 102 20.909 14.214 -18.617 1.00 0.00 H new ATOM 0 HB3 GLU A 102 22.441 14.425 -19.442 1.00 0.00 H new ATOM 0 HG2 GLU A 102 21.284 14.218 -21.632 1.00 0.00 H new ATOM 0 HG3 GLU A 102 19.754 14.022 -20.801 1.00 0.00 H new ATOM 1310 N MET A 103 23.821 12.235 -18.435 1.00 0.00 N ATOM 1311 CA MET A 103 24.736 11.943 -17.338 1.00 0.00 C ATOM 1312 C MET A 103 24.799 13.101 -16.351 1.00 0.00 C ATOM 1313 O MET A 103 24.973 14.255 -16.743 1.00 0.00 O ATOM 1314 CB MET A 103 26.129 11.630 -17.882 1.00 0.00 C ATOM 1315 CG MET A 103 27.157 11.278 -16.816 1.00 0.00 C ATOM 1316 SD MET A 103 28.780 10.908 -17.510 1.00 0.00 S ATOM 1317 CE MET A 103 28.487 9.288 -18.212 1.00 0.00 C ATOM 0 H MET A 103 24.269 12.624 -19.265 1.00 0.00 H new ATOM 0 HA MET A 103 24.360 11.069 -16.806 1.00 0.00 H new ATOM 0 HB2 MET A 103 26.053 10.800 -18.584 1.00 0.00 H new ATOM 0 HB3 MET A 103 26.488 12.492 -18.445 1.00 0.00 H new ATOM 0 HG2 MET A 103 27.247 12.108 -16.115 1.00 0.00 H new ATOM 0 HG3 MET A 103 26.805 10.417 -16.247 1.00 0.00 H new ATOM 0 HE1 MET A 103 29.423 8.729 -18.241 1.00 0.00 H new ATOM 0 HE2 MET A 103 27.763 8.751 -17.599 1.00 0.00 H new ATOM 0 HE3 MET A 103 28.097 9.395 -19.224 1.00 0.00 H new ATOM 1327 N PHE A 104 24.656 12.786 -15.068 1.00 0.00 N ATOM 1328 CA PHE A 104 24.736 13.795 -14.018 1.00 0.00 C ATOM 1329 C PHE A 104 25.785 13.424 -12.977 1.00 0.00 C ATOM 1330 O PHE A 104 26.159 12.259 -12.847 1.00 0.00 O ATOM 1331 CB PHE A 104 23.377 13.969 -13.339 1.00 0.00 C ATOM 1332 CG PHE A 104 22.317 14.535 -14.242 1.00 0.00 C ATOM 1333 CD1 PHE A 104 21.565 13.703 -15.058 1.00 0.00 C ATOM 1334 CD2 PHE A 104 22.070 15.899 -14.277 1.00 0.00 C ATOM 1335 CE1 PHE A 104 20.590 14.222 -15.889 1.00 0.00 C ATOM 1336 CE2 PHE A 104 21.096 16.420 -15.105 1.00 0.00 C ATOM 1337 CZ PHE A 104 20.355 15.580 -15.912 1.00 0.00 C ATOM 0 H PHE A 104 24.484 11.839 -14.730 1.00 0.00 H new ATOM 0 HA PHE A 104 25.028 14.736 -14.484 1.00 0.00 H new ATOM 0 HB2 PHE A 104 23.043 13.002 -12.963 1.00 0.00 H new ATOM 0 HB3 PHE A 104 23.494 14.624 -12.476 1.00 0.00 H new ATOM 0 HD1 PHE A 104 21.743 12.638 -15.044 1.00 0.00 H new ATOM 0 HD2 PHE A 104 22.647 16.562 -13.649 1.00 0.00 H new ATOM 0 HE1 PHE A 104 20.012 13.563 -16.520 1.00 0.00 H new ATOM 0 HE2 PHE A 104 20.914 17.484 -15.121 1.00 0.00 H new ATOM 0 HZ PHE A 104 19.593 15.986 -16.560 1.00 0.00 H new ATOM 1347 N THR A 105 26.257 14.423 -12.238 1.00 0.00 N ATOM 1348 CA THR A 105 27.272 14.205 -11.215 1.00 0.00 C ATOM 1349 C THR A 105 26.648 13.709 -9.917 1.00 0.00 C ATOM 1350 O THR A 105 25.967 14.458 -9.217 1.00 0.00 O ATOM 1351 CB THR A 105 28.071 15.493 -10.944 1.00 0.00 C ATOM 1352 OG1 THR A 105 28.707 15.927 -12.154 1.00 0.00 O ATOM 1353 CG2 THR A 105 29.130 15.251 -9.879 1.00 0.00 C ATOM 0 H THR A 105 25.952 15.392 -12.329 1.00 0.00 H new ATOM 0 HA THR A 105 27.951 13.441 -11.593 1.00 0.00 H new ATOM 0 HB THR A 105 27.383 16.261 -10.590 1.00 0.00 H new ATOM 0 HG1 THR A 105 29.214 16.748 -11.981 1.00 0.00 H new ATOM 0 HG21 THR A 105 29.684 16.172 -9.701 1.00 0.00 H new ATOM 0 HG22 THR A 105 28.650 14.932 -8.954 1.00 0.00 H new ATOM 0 HG23 THR A 105 29.816 14.475 -10.218 1.00 0.00 H new ATOM 1361 N TYR A 106 26.885 12.440 -9.600 1.00 0.00 N ATOM 1362 CA TYR A 106 26.313 11.829 -8.406 1.00 0.00 C ATOM 1363 C TYR A 106 27.161 12.124 -7.176 1.00 0.00 C ATOM 1364 O TYR A 106 28.335 11.761 -7.118 1.00 0.00 O ATOM 1365 CB TYR A 106 26.164 10.318 -8.598 1.00 0.00 C ATOM 1366 CG TYR A 106 25.598 9.603 -7.391 1.00 0.00 C ATOM 1367 CD1 TYR A 106 24.386 10.007 -6.850 1.00 0.00 C ATOM 1368 CD2 TYR A 106 26.290 8.542 -6.826 1.00 0.00 C ATOM 1369 CE1 TYR A 106 23.869 9.354 -5.748 1.00 0.00 C ATOM 1370 CE2 TYR A 106 25.773 7.889 -5.724 1.00 0.00 C ATOM 1371 CZ TYR A 106 24.568 8.292 -5.186 1.00 0.00 C ATOM 1372 OH TYR A 106 24.053 7.641 -4.088 1.00 0.00 O ATOM 0 H TYR A 106 27.470 11.815 -10.154 1.00 0.00 H new ATOM 0 HA TYR A 106 25.326 12.263 -8.248 1.00 0.00 H new ATOM 0 HB2 TYR A 106 25.517 10.132 -9.455 1.00 0.00 H new ATOM 0 HB3 TYR A 106 27.139 9.893 -8.836 1.00 0.00 H new ATOM 0 HD1 TYR A 106 23.847 10.832 -7.291 1.00 0.00 H new ATOM 0 HD2 TYR A 106 27.233 8.226 -7.248 1.00 0.00 H new ATOM 0 HE1 TYR A 106 22.926 9.667 -5.325 1.00 0.00 H new ATOM 0 HE2 TYR A 106 26.312 7.063 -5.284 1.00 0.00 H new ATOM 0 HH TYR A 106 23.250 8.108 -3.778 1.00 0.00 H new ATOM 1382 N GLY A 107 26.558 12.786 -6.194 1.00 0.00 N ATOM 1383 CA GLY A 107 27.306 13.333 -5.068 1.00 0.00 C ATOM 1384 C GLY A 107 27.483 12.295 -3.967 1.00 0.00 C ATOM 1385 O GLY A 107 28.280 12.481 -3.048 1.00 0.00 O ATOM 0 H GLY A 107 25.553 12.957 -6.155 1.00 0.00 H new ATOM 0 HA2 GLY A 107 28.283 13.675 -5.409 1.00 0.00 H new ATOM 0 HA3 GLY A 107 26.784 14.203 -4.670 1.00 0.00 H new ATOM 1389 N GLY A 108 26.736 11.201 -4.067 1.00 0.00 N ATOM 1390 CA GLY A 108 26.868 10.094 -3.127 1.00 0.00 C ATOM 1391 C GLY A 108 25.801 10.162 -2.042 1.00 0.00 C ATOM 1392 O GLY A 108 25.866 9.439 -1.048 1.00 0.00 O ATOM 0 H GLY A 108 26.032 11.057 -4.791 1.00 0.00 H new ATOM 0 HA2 GLY A 108 26.787 9.148 -3.662 1.00 0.00 H new ATOM 0 HA3 GLY A 108 27.857 10.118 -2.670 1.00 0.00 H new ATOM 1396 N ILE A 109 24.819 11.035 -2.240 1.00 0.00 N ATOM 1397 CA ILE A 109 23.757 11.228 -1.259 1.00 0.00 C ATOM 1398 C ILE A 109 22.470 10.541 -1.698 1.00 0.00 C ATOM 1399 O ILE A 109 21.719 11.073 -2.516 1.00 0.00 O ATOM 1400 CB ILE A 109 23.487 12.726 -1.029 1.00 0.00 C ATOM 1401 CG1 ILE A 109 24.776 13.444 -0.621 1.00 0.00 C ATOM 1402 CG2 ILE A 109 22.410 12.917 0.028 1.00 0.00 C ATOM 1403 CD1 ILE A 109 25.401 12.904 0.645 1.00 0.00 C ATOM 0 H ILE A 109 24.736 11.620 -3.071 1.00 0.00 H new ATOM 0 HA ILE A 109 24.093 10.779 -0.324 1.00 0.00 H new ATOM 0 HB ILE A 109 23.131 13.161 -1.963 1.00 0.00 H new ATOM 0 HG12 ILE A 109 25.498 13.365 -1.434 1.00 0.00 H new ATOM 0 HG13 ILE A 109 24.563 14.504 -0.486 1.00 0.00 H new ATOM 0 HG21 ILE A 109 22.232 13.982 0.178 1.00 0.00 H new ATOM 0 HG22 ILE A 109 21.488 12.438 -0.301 1.00 0.00 H new ATOM 0 HG23 ILE A 109 22.737 12.468 0.966 1.00 0.00 H new ATOM 0 HD11 ILE A 109 26.310 13.463 0.869 1.00 0.00 H new ATOM 0 HD12 ILE A 109 24.698 13.008 1.471 1.00 0.00 H new ATOM 0 HD13 ILE A 109 25.647 11.851 0.509 1.00 0.00 H new ATOM 1415 N THR A 110 22.221 9.356 -1.151 1.00 0.00 N ATOM 1416 CA THR A 110 20.984 8.633 -1.420 1.00 0.00 C ATOM 1417 C THR A 110 20.655 8.637 -2.907 1.00 0.00 C ATOM 1418 O THR A 110 21.521 8.384 -3.744 1.00 0.00 O ATOM 1419 CB THR A 110 19.807 9.234 -0.628 1.00 0.00 C ATOM 1420 OG1 THR A 110 19.519 10.549 -1.120 1.00 0.00 O ATOM 1421 CG2 THR A 110 20.145 9.313 0.852 1.00 0.00 C ATOM 0 H THR A 110 22.860 8.876 -0.518 1.00 0.00 H new ATOM 0 HA THR A 110 21.136 7.603 -1.098 1.00 0.00 H new ATOM 0 HB THR A 110 18.936 8.591 -0.757 1.00 0.00 H new ATOM 0 HG1 THR A 110 20.053 10.722 -1.923 1.00 0.00 H new ATOM 0 HG21 THR A 110 19.302 9.740 1.395 1.00 0.00 H new ATOM 0 HG22 THR A 110 20.352 8.313 1.232 1.00 0.00 H new ATOM 0 HG23 THR A 110 21.023 9.943 0.991 1.00 0.00 H new ATOM 1429 N GLY A 111 19.399 8.926 -3.229 1.00 0.00 N ATOM 1430 CA GLY A 111 18.942 8.916 -4.614 1.00 0.00 C ATOM 1431 C GLY A 111 17.538 8.337 -4.726 1.00 0.00 C ATOM 1432 O GLY A 111 16.779 8.332 -3.757 1.00 0.00 O ATOM 0 H GLY A 111 18.679 9.170 -2.549 1.00 0.00 H new ATOM 0 HA2 GLY A 111 18.952 9.931 -5.011 1.00 0.00 H new ATOM 0 HA3 GLY A 111 19.630 8.329 -5.223 1.00 0.00 H new ATOM 1436 N ASN A 112 17.197 7.850 -5.915 1.00 0.00 N ATOM 1437 CA ASN A 112 15.901 7.223 -6.143 1.00 0.00 C ATOM 1438 C ASN A 112 16.003 6.106 -7.173 1.00 0.00 C ATOM 1439 O ASN A 112 17.094 5.777 -7.640 1.00 0.00 O ATOM 1440 CB ASN A 112 14.877 8.257 -6.576 1.00 0.00 C ATOM 1441 CG ASN A 112 15.251 8.935 -7.865 1.00 0.00 C ATOM 1442 OD1 ASN A 112 16.239 8.567 -8.511 1.00 0.00 O ATOM 1443 ND2 ASN A 112 14.480 9.920 -8.251 1.00 0.00 N ATOM 0 H ASN A 112 17.801 7.878 -6.736 1.00 0.00 H new ATOM 0 HA ASN A 112 15.572 6.782 -5.202 1.00 0.00 H new ATOM 0 HB2 ASN A 112 13.906 7.775 -6.691 1.00 0.00 H new ATOM 0 HB3 ASN A 112 14.770 9.007 -5.793 1.00 0.00 H new ATOM 0 HD21 ASN A 112 14.684 10.418 -9.117 1.00 0.00 H new ATOM 0 HD22 ASN A 112 13.675 10.189 -7.686 1.00 0.00 H new ATOM 1450 N LYS A 113 14.861 5.524 -7.523 1.00 0.00 N ATOM 1451 CA LYS A 113 14.825 4.408 -8.460 1.00 0.00 C ATOM 1452 C LYS A 113 15.368 4.817 -9.824 1.00 0.00 C ATOM 1453 O LYS A 113 15.930 3.997 -10.550 1.00 0.00 O ATOM 1454 CB LYS A 113 13.400 3.872 -8.601 1.00 0.00 C ATOM 1455 CG LYS A 113 13.299 2.533 -9.320 1.00 0.00 C ATOM 1456 CD LYS A 113 11.886 1.973 -9.249 1.00 0.00 C ATOM 1457 CE LYS A 113 11.804 0.595 -9.890 1.00 0.00 C ATOM 1458 NZ LYS A 113 10.447 0.000 -9.757 1.00 0.00 N1+ ATOM 0 H LYS A 113 13.947 5.808 -7.171 1.00 0.00 H new ATOM 0 HA LYS A 113 15.462 3.618 -8.062 1.00 0.00 H new ATOM 0 HB2 LYS A 113 12.963 3.771 -7.608 1.00 0.00 H new ATOM 0 HB3 LYS A 113 12.801 4.606 -9.140 1.00 0.00 H new ATOM 0 HG2 LYS A 113 13.592 2.655 -10.363 1.00 0.00 H new ATOM 0 HG3 LYS A 113 13.996 1.824 -8.873 1.00 0.00 H new ATOM 0 HD2 LYS A 113 11.569 1.912 -8.208 1.00 0.00 H new ATOM 0 HD3 LYS A 113 11.198 2.652 -9.752 1.00 0.00 H new ATOM 0 HE2 LYS A 113 12.066 0.670 -10.946 1.00 0.00 H new ATOM 0 HE3 LYS A 113 12.537 -0.065 -9.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 10.463 -0.982 -10.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 10.158 0.014 -8.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 9.769 0.552 -10.321 1.00 0.00 H new ATOM 1472 N ASN A 114 15.196 6.089 -10.166 1.00 0.00 N ATOM 1473 CA ASN A 114 15.721 6.623 -11.418 1.00 0.00 C ATOM 1474 C ASN A 114 17.242 6.689 -11.393 1.00 0.00 C ATOM 1475 O ASN A 114 17.823 7.723 -11.061 1.00 0.00 O ATOM 1476 CB ASN A 114 15.131 7.992 -11.703 1.00 0.00 C ATOM 1477 CG ASN A 114 15.555 8.537 -13.038 1.00 0.00 C ATOM 1478 OD1 ASN A 114 16.623 8.187 -13.555 1.00 0.00 O ATOM 1479 ND2 ASN A 114 14.740 9.388 -13.607 1.00 0.00 N ATOM 0 H ASN A 114 14.697 6.770 -9.594 1.00 0.00 H new ATOM 0 HA ASN A 114 15.428 5.946 -12.221 1.00 0.00 H new ATOM 0 HB2 ASN A 114 14.043 7.929 -11.669 1.00 0.00 H new ATOM 0 HB3 ASN A 114 15.435 8.685 -10.919 1.00 0.00 H new ATOM 0 HD21 ASN A 114 14.975 9.791 -14.514 1.00 0.00 H new ATOM 0 HD22 ASN A 114 13.869 9.648 -13.144 1.00 0.00 H new ATOM 1486 N ASN A 115 17.884 5.581 -11.747 1.00 0.00 N ATOM 1487 CA ASN A 115 19.340 5.512 -11.769 1.00 0.00 C ATOM 1488 C ASN A 115 19.826 4.438 -12.734 1.00 0.00 C ATOM 1489 O ASN A 115 19.623 3.246 -12.504 1.00 0.00 O ATOM 1490 CB ASN A 115 19.885 5.264 -10.375 1.00 0.00 C ATOM 1491 CG ASN A 115 21.385 5.349 -10.316 1.00 0.00 C ATOM 1492 OD1 ASN A 115 22.059 5.355 -11.353 1.00 0.00 O ATOM 1493 ND2 ASN A 115 21.920 5.414 -9.124 1.00 0.00 N ATOM 0 H ASN A 115 17.418 4.717 -12.023 1.00 0.00 H new ATOM 0 HA ASN A 115 19.715 6.473 -12.121 1.00 0.00 H new ATOM 0 HB2 ASN A 115 19.456 5.992 -9.687 1.00 0.00 H new ATOM 0 HB3 ASN A 115 19.567 4.278 -10.035 1.00 0.00 H new ATOM 0 HD21 ASN A 115 22.933 5.473 -9.022 1.00 0.00 H new ATOM 0 HD22 ASN A 115 21.324 5.406 -8.296 1.00 0.00 H new ATOM 1500 N PHE A 116 20.469 4.867 -13.814 1.00 0.00 N ATOM 1501 CA PHE A 116 20.788 3.974 -14.921 1.00 0.00 C ATOM 1502 C PHE A 116 22.294 3.850 -15.113 1.00 0.00 C ATOM 1503 O PHE A 116 23.056 4.728 -14.706 1.00 0.00 O ATOM 1504 CB PHE A 116 20.144 4.475 -16.215 1.00 0.00 C ATOM 1505 CG PHE A 116 18.646 4.560 -16.153 1.00 0.00 C ATOM 1506 CD1 PHE A 116 18.019 5.737 -15.770 1.00 0.00 C ATOM 1507 CD2 PHE A 116 17.860 3.465 -16.476 1.00 0.00 C ATOM 1508 CE1 PHE A 116 16.641 5.817 -15.712 1.00 0.00 C ATOM 1509 CE2 PHE A 116 16.482 3.542 -16.420 1.00 0.00 C ATOM 1510 CZ PHE A 116 15.872 4.720 -16.037 1.00 0.00 C ATOM 0 H PHE A 116 20.780 5.829 -13.946 1.00 0.00 H new ATOM 0 HA PHE A 116 20.388 2.990 -14.677 1.00 0.00 H new ATOM 0 HB2 PHE A 116 20.545 5.461 -16.452 1.00 0.00 H new ATOM 0 HB3 PHE A 116 20.427 3.811 -17.032 1.00 0.00 H new ATOM 0 HD1 PHE A 116 18.615 6.601 -15.514 1.00 0.00 H new ATOM 0 HD2 PHE A 116 18.331 2.540 -16.775 1.00 0.00 H new ATOM 0 HE1 PHE A 116 16.166 6.739 -15.412 1.00 0.00 H new ATOM 0 HE2 PHE A 116 15.882 2.681 -16.676 1.00 0.00 H new ATOM 0 HZ PHE A 116 14.795 4.782 -15.992 1.00 0.00 H new ATOM 1520 N GLU A 117 22.719 2.755 -15.734 1.00 0.00 N ATOM 1521 CA GLU A 117 24.121 2.568 -16.085 1.00 0.00 C ATOM 1522 C GLU A 117 24.440 3.197 -17.436 1.00 0.00 C ATOM 1523 O GLU A 117 25.590 3.530 -17.721 1.00 0.00 O ATOM 1524 CB GLU A 117 24.472 1.079 -16.110 1.00 0.00 C ATOM 1525 CG GLU A 117 24.341 0.380 -14.764 1.00 0.00 C ATOM 1526 CD GLU A 117 25.407 0.790 -13.786 1.00 0.00 C ATOM 1527 OE1 GLU A 117 26.535 0.935 -14.192 1.00 0.00 O ATOM 1528 OE2 GLU A 117 25.092 0.959 -12.631 1.00 0.00 O1- ATOM 0 H GLU A 117 22.111 1.982 -16.005 1.00 0.00 H new ATOM 0 HA GLU A 117 24.723 3.065 -15.324 1.00 0.00 H new ATOM 0 HB2 GLU A 117 23.826 0.578 -16.831 1.00 0.00 H new ATOM 0 HB3 GLU A 117 25.496 0.965 -16.467 1.00 0.00 H new ATOM 0 HG2 GLU A 117 23.361 0.600 -14.340 1.00 0.00 H new ATOM 0 HG3 GLU A 117 24.388 -0.699 -14.914 1.00 0.00 H new ATOM 1535 N SER A 118 23.414 3.356 -18.265 1.00 0.00 N ATOM 1536 CA SER A 118 23.591 3.894 -19.609 1.00 0.00 C ATOM 1537 C SER A 118 22.301 4.517 -20.127 1.00 0.00 C ATOM 1538 O SER A 118 21.224 4.283 -19.580 1.00 0.00 O ATOM 1539 CB SER A 118 24.049 2.800 -20.553 1.00 0.00 C ATOM 1540 OG SER A 118 23.028 1.865 -20.771 1.00 0.00 O ATOM 0 H SER A 118 22.450 3.120 -18.030 1.00 0.00 H new ATOM 0 HA SER A 118 24.352 4.673 -19.562 1.00 0.00 H new ATOM 0 HB2 SER A 118 24.354 3.239 -21.503 1.00 0.00 H new ATOM 0 HB3 SER A 118 24.923 2.299 -20.138 1.00 0.00 H new ATOM 0 HG SER A 118 23.346 1.170 -21.384 1.00 0.00 H new ATOM 1546 N GLU A 119 22.418 5.313 -21.185 1.00 0.00 N ATOM 1547 CA GLU A 119 21.254 5.926 -21.815 1.00 0.00 C ATOM 1548 C GLU A 119 20.434 4.894 -22.578 1.00 0.00 C ATOM 1549 O GLU A 119 19.265 5.124 -22.890 1.00 0.00 O ATOM 1550 CB GLU A 119 21.689 7.047 -22.761 1.00 0.00 C ATOM 1551 CG GLU A 119 22.451 6.573 -23.990 1.00 0.00 C ATOM 1552 CD GLU A 119 23.915 6.360 -23.724 1.00 0.00 C ATOM 1553 OE1 GLU A 119 24.262 6.082 -22.602 1.00 0.00 O ATOM 1554 OE2 GLU A 119 24.689 6.476 -24.646 1.00 0.00 O1- ATOM 0 H GLU A 119 23.308 5.549 -21.624 1.00 0.00 H new ATOM 0 HA GLU A 119 20.630 6.345 -21.026 1.00 0.00 H new ATOM 0 HB2 GLU A 119 20.805 7.595 -23.086 1.00 0.00 H new ATOM 0 HB3 GLU A 119 22.314 7.749 -22.209 1.00 0.00 H new ATOM 0 HG2 GLU A 119 22.012 5.641 -24.346 1.00 0.00 H new ATOM 0 HG3 GLU A 119 22.335 7.306 -24.788 1.00 0.00 H new ATOM 1561 N GLU A 120 21.052 3.757 -22.876 1.00 0.00 N ATOM 1562 CA GLU A 120 20.354 2.653 -23.525 1.00 0.00 C ATOM 1563 C GLU A 120 19.410 1.952 -22.556 1.00 0.00 C ATOM 1564 O GLU A 120 18.338 1.488 -22.945 1.00 0.00 O ATOM 1565 CB GLU A 120 21.358 1.646 -24.091 1.00 0.00 C ATOM 1566 CG GLU A 120 22.184 2.170 -25.258 1.00 0.00 C ATOM 1567 CD GLU A 120 21.340 2.587 -26.430 1.00 0.00 C ATOM 1568 OE1 GLU A 120 20.512 1.814 -26.848 1.00 0.00 O ATOM 1569 OE2 GLU A 120 21.524 3.682 -26.909 1.00 0.00 O1- ATOM 0 H GLU A 120 22.036 3.575 -22.678 1.00 0.00 H new ATOM 0 HA GLU A 120 19.763 3.068 -24.341 1.00 0.00 H new ATOM 0 HB2 GLU A 120 22.033 1.337 -23.293 1.00 0.00 H new ATOM 0 HB3 GLU A 120 20.818 0.756 -24.414 1.00 0.00 H new ATOM 0 HG2 GLU A 120 22.778 3.020 -24.923 1.00 0.00 H new ATOM 0 HG3 GLU A 120 22.884 1.398 -25.577 1.00 0.00 H new ATOM 1576 N GLU A 121 19.814 1.879 -21.293 1.00 0.00 N ATOM 1577 CA GLU A 121 18.938 1.390 -20.235 1.00 0.00 C ATOM 1578 C GLU A 121 17.763 2.334 -20.012 1.00 0.00 C ATOM 1579 O GLU A 121 16.641 1.895 -19.763 1.00 0.00 O ATOM 1580 CB GLU A 121 19.720 1.218 -18.931 1.00 0.00 C ATOM 1581 CG GLU A 121 20.701 0.054 -18.935 1.00 0.00 C ATOM 1582 CD GLU A 121 21.368 -0.154 -17.604 1.00 0.00 C ATOM 1583 OE1 GLU A 121 21.189 0.667 -16.737 1.00 0.00 O ATOM 1584 OE2 GLU A 121 22.057 -1.136 -17.454 1.00 0.00 O1- ATOM 0 H GLU A 121 20.744 2.153 -20.976 1.00 0.00 H new ATOM 0 HA GLU A 121 18.547 0.422 -20.548 1.00 0.00 H new ATOM 0 HB2 GLU A 121 20.267 2.138 -18.726 1.00 0.00 H new ATOM 0 HB3 GLU A 121 19.013 1.079 -18.113 1.00 0.00 H new ATOM 0 HG2 GLU A 121 20.174 -0.857 -19.218 1.00 0.00 H new ATOM 0 HG3 GLU A 121 21.463 0.230 -19.694 1.00 0.00 H new ATOM 1591 N CYS A 122 18.028 3.633 -20.105 1.00 0.00 N ATOM 1592 CA CYS A 122 16.971 4.636 -20.062 1.00 0.00 C ATOM 1593 C CYS A 122 15.933 4.388 -21.149 1.00 0.00 C ATOM 1594 O CYS A 122 14.730 4.395 -20.886 1.00 0.00 O ATOM 1595 CB CYS A 122 17.553 6.039 -20.230 1.00 0.00 C ATOM 1596 SG CYS A 122 18.499 6.622 -18.802 1.00 0.00 S ATOM 0 H CYS A 122 18.967 4.016 -20.211 1.00 0.00 H new ATOM 0 HA CYS A 122 16.487 4.559 -19.089 1.00 0.00 H new ATOM 0 HB2 CYS A 122 18.198 6.050 -21.109 1.00 0.00 H new ATOM 0 HB3 CYS A 122 16.739 6.738 -20.423 1.00 0.00 H new ATOM 1601 N LYS A 123 16.405 4.171 -22.372 1.00 0.00 N ATOM 1602 CA LYS A 123 15.517 3.944 -23.506 1.00 0.00 C ATOM 1603 C LYS A 123 14.597 2.756 -23.257 1.00 0.00 C ATOM 1604 O LYS A 123 13.374 2.891 -23.279 1.00 0.00 O ATOM 1605 CB LYS A 123 16.328 3.723 -24.785 1.00 0.00 C ATOM 1606 CG LYS A 123 17.035 4.968 -25.304 1.00 0.00 C ATOM 1607 CD LYS A 123 17.927 4.641 -26.493 1.00 0.00 C ATOM 1608 CE LYS A 123 18.719 5.859 -26.944 1.00 0.00 C ATOM 1609 NZ LYS A 123 19.667 5.531 -28.042 1.00 0.00 N1+ ATOM 0 H LYS A 123 17.398 4.148 -22.603 1.00 0.00 H new ATOM 0 HA LYS A 123 14.898 4.833 -23.628 1.00 0.00 H new ATOM 0 HB2 LYS A 123 17.072 2.948 -24.600 1.00 0.00 H new ATOM 0 HB3 LYS A 123 15.663 3.347 -25.562 1.00 0.00 H new ATOM 0 HG2 LYS A 123 16.296 5.714 -25.595 1.00 0.00 H new ATOM 0 HG3 LYS A 123 17.634 5.408 -24.507 1.00 0.00 H new ATOM 0 HD2 LYS A 123 18.613 3.838 -26.225 1.00 0.00 H new ATOM 0 HD3 LYS A 123 17.316 4.276 -27.319 1.00 0.00 H new ATOM 0 HE2 LYS A 123 18.031 6.635 -27.279 1.00 0.00 H new ATOM 0 HE3 LYS A 123 19.272 6.266 -26.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 20.137 6.400 -28.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 20.381 4.859 -27.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 19.146 5.104 -28.834 1.00 0.00 H new ATOM 1623 N GLU A 124 15.193 1.592 -23.021 1.00 0.00 N ATOM 1624 CA GLU A 124 14.445 0.341 -22.991 1.00 0.00 C ATOM 1625 C GLU A 124 13.580 0.246 -21.741 1.00 0.00 C ATOM 1626 O GLU A 124 12.485 -0.316 -21.773 1.00 0.00 O ATOM 1627 CB GLU A 124 15.400 -0.853 -23.053 1.00 0.00 C ATOM 1628 CG GLU A 124 16.161 -0.982 -24.366 1.00 0.00 C ATOM 1629 CD GLU A 124 15.253 -1.072 -25.561 1.00 0.00 C ATOM 1630 OE1 GLU A 124 14.375 -1.900 -25.555 1.00 0.00 O ATOM 1631 OE2 GLU A 124 15.439 -0.311 -26.481 1.00 0.00 O1- ATOM 0 H GLU A 124 16.193 1.489 -22.848 1.00 0.00 H new ATOM 0 HA GLU A 124 13.791 0.323 -23.863 1.00 0.00 H new ATOM 0 HB2 GLU A 124 16.118 -0.771 -22.237 1.00 0.00 H new ATOM 0 HB3 GLU A 124 14.831 -1.767 -22.886 1.00 0.00 H new ATOM 0 HG2 GLU A 124 16.823 -0.124 -24.483 1.00 0.00 H new ATOM 0 HG3 GLU A 124 16.793 -1.869 -24.328 1.00 0.00 H new ATOM 1638 N THR A 125 14.077 0.800 -20.640 1.00 0.00 N ATOM 1639 CA THR A 125 13.329 0.822 -19.389 1.00 0.00 C ATOM 1640 C THR A 125 12.063 1.660 -19.518 1.00 0.00 C ATOM 1641 O THR A 125 10.994 1.262 -19.057 1.00 0.00 O ATOM 1642 CB THR A 125 14.193 1.364 -18.236 1.00 0.00 C ATOM 1643 OG1 THR A 125 15.324 0.505 -18.038 1.00 0.00 O ATOM 1644 CG2 THR A 125 13.383 1.435 -16.950 1.00 0.00 C ATOM 0 H THR A 125 14.996 1.240 -20.589 1.00 0.00 H new ATOM 0 HA THR A 125 13.047 -0.207 -19.164 1.00 0.00 H new ATOM 0 HB THR A 125 14.531 2.367 -18.496 1.00 0.00 H new ATOM 0 HG1 THR A 125 16.100 0.872 -18.511 1.00 0.00 H new ATOM 0 HG21 THR A 125 14.010 1.820 -16.146 1.00 0.00 H new ATOM 0 HG22 THR A 125 12.529 2.097 -17.094 1.00 0.00 H new ATOM 0 HG23 THR A 125 13.029 0.438 -16.688 1.00 0.00 H new ATOM 1652 N CYS A 126 12.192 2.823 -20.148 1.00 0.00 N ATOM 1653 CA CYS A 126 11.051 3.703 -20.372 1.00 0.00 C ATOM 1654 C CYS A 126 10.055 3.078 -21.341 1.00 0.00 C ATOM 1655 O CYS A 126 8.849 3.299 -21.234 1.00 0.00 O ATOM 1656 CB CYS A 126 11.513 5.052 -20.923 1.00 0.00 C ATOM 1657 SG CYS A 126 12.446 6.053 -19.740 1.00 0.00 S ATOM 0 H CYS A 126 13.076 3.178 -20.513 1.00 0.00 H new ATOM 0 HA CYS A 126 10.559 3.853 -19.411 1.00 0.00 H new ATOM 0 HB2 CYS A 126 12.131 4.880 -21.804 1.00 0.00 H new ATOM 0 HB3 CYS A 126 10.640 5.616 -21.251 1.00 0.00 H new ATOM 1662 N LYS A 127 10.568 2.298 -22.286 1.00 0.00 N ATOM 1663 CA LYS A 127 9.720 1.500 -23.164 1.00 0.00 C ATOM 1664 C LYS A 127 8.919 0.473 -22.374 1.00 0.00 C ATOM 1665 O LYS A 127 7.745 0.236 -22.656 1.00 0.00 O ATOM 1666 CB LYS A 127 10.562 0.802 -24.233 1.00 0.00 C ATOM 1667 CG LYS A 127 11.135 1.734 -25.292 1.00 0.00 C ATOM 1668 CD LYS A 127 12.010 0.978 -26.279 1.00 0.00 C ATOM 1669 CE LYS A 127 12.715 1.928 -27.236 1.00 0.00 C ATOM 1670 NZ LYS A 127 13.616 1.205 -28.175 1.00 0.00 N1+ ATOM 0 H LYS A 127 11.568 2.201 -22.464 1.00 0.00 H new ATOM 0 HA LYS A 127 9.018 2.176 -23.652 1.00 0.00 H new ATOM 0 HB2 LYS A 127 11.384 0.278 -23.745 1.00 0.00 H new ATOM 0 HB3 LYS A 127 9.949 0.047 -24.725 1.00 0.00 H new ATOM 0 HG2 LYS A 127 10.321 2.225 -25.826 1.00 0.00 H new ATOM 0 HG3 LYS A 127 11.720 2.518 -24.811 1.00 0.00 H new ATOM 0 HD2 LYS A 127 12.750 0.391 -25.736 1.00 0.00 H new ATOM 0 HD3 LYS A 127 11.399 0.275 -26.846 1.00 0.00 H new ATOM 0 HE2 LYS A 127 11.972 2.488 -27.805 1.00 0.00 H new ATOM 0 HE3 LYS A 127 13.293 2.655 -26.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 14.140 1.893 -28.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 14.288 0.624 -27.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 13.050 0.592 -28.796 1.00 0.00 H new ATOM 1684 N GLY A 128 9.562 -0.135 -21.382 1.00 0.00 N ATOM 1685 CA GLY A 128 8.901 -1.112 -20.526 1.00 0.00 C ATOM 1686 C GLY A 128 9.609 -2.459 -20.579 1.00 0.00 C ATOM 1687 O GLY A 128 8.971 -3.510 -20.505 1.00 0.00 O ATOM 0 H GLY A 128 10.541 0.032 -21.151 1.00 0.00 H new ATOM 0 HA2 GLY A 128 8.884 -0.747 -19.499 1.00 0.00 H new ATOM 0 HA3 GLY A 128 7.864 -1.231 -20.839 1.00 0.00 H new ATOM 1691 N PHE A 129 10.931 -2.423 -20.707 1.00 0.00 N ATOM 1692 CA PHE A 129 11.731 -3.641 -20.747 1.00 0.00 C ATOM 1693 C PHE A 129 12.759 -3.663 -19.623 1.00 0.00 C ATOM 1694 O PHE A 129 13.271 -2.620 -19.217 1.00 0.00 O ATOM 1695 CB PHE A 129 12.440 -3.770 -22.096 1.00 0.00 C ATOM 1696 CG PHE A 129 11.503 -3.872 -23.266 1.00 0.00 C ATOM 1697 CD1 PHE A 129 11.201 -2.754 -24.030 1.00 0.00 C ATOM 1698 CD2 PHE A 129 10.922 -5.084 -23.605 1.00 0.00 C ATOM 1699 CE1 PHE A 129 10.339 -2.846 -25.106 1.00 0.00 C ATOM 1700 CE2 PHE A 129 10.061 -5.179 -24.681 1.00 0.00 C ATOM 1701 CZ PHE A 129 9.769 -4.058 -25.432 1.00 0.00 C ATOM 0 H PHE A 129 11.472 -1.562 -20.785 1.00 0.00 H new ATOM 0 HA PHE A 129 11.055 -4.486 -20.613 1.00 0.00 H new ATOM 0 HB2 PHE A 129 13.091 -2.907 -22.238 1.00 0.00 H new ATOM 0 HB3 PHE A 129 13.080 -4.652 -22.077 1.00 0.00 H new ATOM 0 HD1 PHE A 129 11.645 -1.801 -23.781 1.00 0.00 H new ATOM 0 HD2 PHE A 129 11.145 -5.965 -23.021 1.00 0.00 H new ATOM 0 HE1 PHE A 129 10.112 -1.968 -25.692 1.00 0.00 H new ATOM 0 HE2 PHE A 129 9.616 -6.130 -24.935 1.00 0.00 H new ATOM 0 HZ PHE A 129 9.095 -4.130 -26.273 1.00 0.00 H new ATOM 1711 N SER A 130 13.056 -4.858 -19.123 1.00 0.00 N ATOM 1712 CA SER A 130 14.027 -5.018 -18.047 1.00 0.00 C ATOM 1713 C SER A 130 14.475 -6.468 -17.921 1.00 0.00 C ATOM 1714 O SER A 130 15.304 -6.907 -18.669 1.00 0.00 O ATOM 1715 CB SER A 130 13.434 -4.546 -16.734 1.00 0.00 C ATOM 1716 OG SER A 130 14.342 -4.719 -15.682 1.00 0.00 O ATOM 0 H SER A 130 12.638 -5.730 -19.446 1.00 0.00 H new ATOM 0 HA SER A 130 14.899 -4.411 -18.288 1.00 0.00 H new ATOM 0 HB2 SER A 130 13.159 -3.494 -16.812 1.00 0.00 H new ATOM 0 HB3 SER A 130 12.519 -5.100 -16.524 1.00 0.00 H new ATOM 0 HG SER A 130 13.938 -4.406 -14.846 1.00 0.00 H new TER 1722 SER A 130