USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 755 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 13 GLN :FLIP amide:sc= -0.455 F(o=-5.9,f=-1.1) USER MOD Set 1.2: A 21 GLN : amide:sc= -0.693 K(o=-1.1,f=-2.8!) USER MOD Set 2.1: A 14 HIS : no HD1:sc= -7.8! C(o=-7.8!,f=-13!) USER MOD Set 2.2: A 16 SER OG : rot -128:sc= 0.0107 USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.117 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.488 K(o=-0.49,f=-2.3!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.012 F(o=-0.56,f=-0.012) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -2.71! C(o=-2.7!,f=-2.6!) USER MOD Single : A 46 TYR OH : rot 37:sc= 1.18 USER MOD Single : A 47 LYS NZ :NH3+ -143:sc= -0.468 (180deg=-1.7!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN :FLIP amide:sc= -0.843 F(o=-3.3,f=-0.84) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.115 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.358 K(o=-0.36,f=-3.1!) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 82 THR OG1 : rot -30:sc= -0.129 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.0344 K(o=-0.034,f=-0.8) USER MOD Single : A 92 ASN : amide:sc= -1.28 X(o=-1.3,f=-0.92!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 24:sc= 0.0472 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -35.042 1.537 -1.056 1.00 0.00 N ATOM 2 CA GLY A 1 -34.313 0.583 -0.238 1.00 0.00 C ATOM 3 C GLY A 1 -33.471 -0.353 -1.106 1.00 0.00 C ATOM 4 O GLY A 1 -33.547 -0.304 -2.333 1.00 0.00 O ATOM 0 H1 GLY A 1 -34.734 2.502 -0.822 1.00 0.00 H new ATOM 0 H2 GLY A 1 -34.854 1.348 -2.061 1.00 0.00 H new ATOM 0 H3 GLY A 1 -36.061 1.445 -0.872 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -33.668 1.116 0.460 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -35.014 -0.001 0.358 1.00 0.00 H new ATOM 8 N SER A 2 -32.687 -1.185 -0.435 1.00 0.00 N ATOM 9 CA SER A 2 -31.832 -2.132 -1.131 1.00 0.00 C ATOM 10 C SER A 2 -31.362 -3.221 -0.164 1.00 0.00 C ATOM 11 O SER A 2 -31.602 -4.405 -0.394 1.00 0.00 O ATOM 12 CB SER A 2 -30.629 -1.427 -1.761 1.00 0.00 C ATOM 13 OG SER A 2 -29.860 -2.309 -2.575 1.00 0.00 O ATOM 0 H SER A 2 -32.626 -1.223 0.582 1.00 0.00 H new ATOM 0 HA SER A 2 -32.411 -2.591 -1.932 1.00 0.00 H new ATOM 0 HB2 SER A 2 -30.975 -0.587 -2.363 1.00 0.00 H new ATOM 0 HB3 SER A 2 -29.997 -1.016 -0.974 1.00 0.00 H new ATOM 0 HG SER A 2 -29.102 -1.821 -2.960 1.00 0.00 H new ATOM 19 N SER A 3 -30.702 -2.781 0.897 1.00 0.00 N ATOM 20 CA SER A 3 -30.197 -3.703 1.900 1.00 0.00 C ATOM 21 C SER A 3 -29.170 -4.648 1.272 1.00 0.00 C ATOM 22 O SER A 3 -29.082 -4.751 0.049 1.00 0.00 O ATOM 23 CB SER A 3 -31.335 -4.504 2.535 1.00 0.00 C ATOM 24 OG SER A 3 -32.181 -3.685 3.338 1.00 0.00 O ATOM 0 H SER A 3 -30.505 -1.798 1.084 1.00 0.00 H new ATOM 0 HA SER A 3 -29.715 -3.122 2.686 1.00 0.00 H new ATOM 0 HB2 SER A 3 -31.926 -4.977 1.751 1.00 0.00 H new ATOM 0 HB3 SER A 3 -30.918 -5.304 3.147 1.00 0.00 H new ATOM 0 HG SER A 3 -32.896 -4.233 3.724 1.00 0.00 H new ATOM 30 N GLY A 4 -28.419 -5.314 2.137 1.00 0.00 N ATOM 31 CA GLY A 4 -27.402 -6.246 1.682 1.00 0.00 C ATOM 32 C GLY A 4 -26.489 -6.667 2.835 1.00 0.00 C ATOM 33 O GLY A 4 -26.966 -7.113 3.878 1.00 0.00 O ATOM 0 H GLY A 4 -28.495 -5.226 3.150 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -27.878 -7.126 1.250 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -26.808 -5.785 0.893 1.00 0.00 H new ATOM 37 N SER A 5 -25.193 -6.512 2.610 1.00 0.00 N ATOM 38 CA SER A 5 -24.209 -6.870 3.617 1.00 0.00 C ATOM 39 C SER A 5 -24.293 -8.368 3.921 1.00 0.00 C ATOM 40 O SER A 5 -25.317 -8.850 4.402 1.00 0.00 O ATOM 41 CB SER A 5 -24.411 -6.057 4.898 1.00 0.00 C ATOM 42 OG SER A 5 -23.651 -4.852 4.889 1.00 0.00 O ATOM 0 H SER A 5 -24.801 -6.143 1.744 1.00 0.00 H new ATOM 0 HA SER A 5 -23.219 -6.640 3.225 1.00 0.00 H new ATOM 0 HB2 SER A 5 -25.468 -5.818 5.013 1.00 0.00 H new ATOM 0 HB3 SER A 5 -24.125 -6.660 5.760 1.00 0.00 H new ATOM 0 HG SER A 5 -23.808 -4.360 5.722 1.00 0.00 H new ATOM 48 N SER A 6 -23.203 -9.061 3.626 1.00 0.00 N ATOM 49 CA SER A 6 -23.141 -10.493 3.862 1.00 0.00 C ATOM 50 C SER A 6 -21.719 -11.002 3.618 1.00 0.00 C ATOM 51 O SER A 6 -20.938 -10.361 2.917 1.00 0.00 O ATOM 52 CB SER A 6 -24.133 -11.242 2.969 1.00 0.00 C ATOM 53 OG SER A 6 -25.070 -11.999 3.730 1.00 0.00 O ATOM 0 H SER A 6 -22.356 -8.657 3.226 1.00 0.00 H new ATOM 0 HA SER A 6 -23.415 -10.681 4.900 1.00 0.00 H new ATOM 0 HB2 SER A 6 -24.667 -10.528 2.342 1.00 0.00 H new ATOM 0 HB3 SER A 6 -23.588 -11.907 2.300 1.00 0.00 H new ATOM 0 HG SER A 6 -25.687 -12.461 3.124 1.00 0.00 H new ATOM 59 N GLY A 7 -21.425 -12.150 4.212 1.00 0.00 N ATOM 60 CA GLY A 7 -20.111 -12.752 4.068 1.00 0.00 C ATOM 61 C GLY A 7 -19.433 -12.921 5.429 1.00 0.00 C ATOM 62 O GLY A 7 -18.979 -11.945 6.026 1.00 0.00 O ATOM 0 H GLY A 7 -22.075 -12.679 4.794 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.203 -13.723 3.581 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.491 -12.129 3.423 1.00 0.00 H new ATOM 66 N MET A 8 -19.387 -14.165 5.881 1.00 0.00 N ATOM 67 CA MET A 8 -18.772 -14.474 7.161 1.00 0.00 C ATOM 68 C MET A 8 -17.723 -15.578 7.013 1.00 0.00 C ATOM 69 O MET A 8 -17.915 -16.523 6.250 1.00 0.00 O ATOM 70 CB MET A 8 -19.850 -14.923 8.150 1.00 0.00 C ATOM 71 CG MET A 8 -20.591 -16.157 7.632 1.00 0.00 C ATOM 72 SD MET A 8 -22.309 -15.764 7.349 1.00 0.00 S ATOM 73 CE MET A 8 -22.559 -16.580 5.781 1.00 0.00 C ATOM 0 H MET A 8 -19.766 -14.971 5.384 1.00 0.00 H new ATOM 0 HA MET A 8 -18.277 -13.576 7.532 1.00 0.00 H new ATOM 0 HB2 MET A 8 -19.393 -15.147 9.114 1.00 0.00 H new ATOM 0 HB3 MET A 8 -20.559 -14.111 8.314 1.00 0.00 H new ATOM 0 HG2 MET A 8 -20.132 -16.505 6.707 1.00 0.00 H new ATOM 0 HG3 MET A 8 -20.510 -16.970 8.354 1.00 0.00 H new ATOM 0 HE1 MET A 8 -23.589 -16.434 5.455 1.00 0.00 H new ATOM 0 HE2 MET A 8 -21.880 -16.159 5.039 1.00 0.00 H new ATOM 0 HE3 MET A 8 -22.361 -17.646 5.890 1.00 0.00 H new ATOM 83 N ASP A 9 -16.638 -15.422 7.757 1.00 0.00 N ATOM 84 CA ASP A 9 -15.558 -16.394 7.718 1.00 0.00 C ATOM 85 C ASP A 9 -15.006 -16.593 9.131 1.00 0.00 C ATOM 86 O ASP A 9 -15.257 -15.780 10.020 1.00 0.00 O ATOM 87 CB ASP A 9 -14.413 -15.910 6.827 1.00 0.00 C ATOM 88 CG ASP A 9 -13.737 -17.000 5.994 1.00 0.00 C ATOM 89 OD1 ASP A 9 -13.422 -18.055 6.587 1.00 0.00 O ATOM 90 OD2 ASP A 9 -13.549 -16.755 4.783 1.00 0.00 O ATOM 0 H ASP A 9 -16.483 -14.637 8.390 1.00 0.00 H new ATOM 0 HA ASP A 9 -15.957 -17.326 7.317 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -14.796 -15.144 6.153 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -13.660 -15.434 7.455 1.00 0.00 H new ATOM 95 N MET A 10 -14.265 -17.679 9.295 1.00 0.00 N ATOM 96 CA MET A 10 -13.675 -17.995 10.585 1.00 0.00 C ATOM 97 C MET A 10 -12.662 -19.135 10.460 1.00 0.00 C ATOM 98 O MET A 10 -13.022 -20.252 10.094 1.00 0.00 O ATOM 99 CB MET A 10 -14.778 -18.396 11.566 1.00 0.00 C ATOM 100 CG MET A 10 -15.484 -19.673 11.105 1.00 0.00 C ATOM 101 SD MET A 10 -15.059 -21.030 12.183 1.00 0.00 S ATOM 102 CE MET A 10 -15.522 -22.407 11.147 1.00 0.00 C ATOM 0 H MET A 10 -14.060 -18.351 8.556 1.00 0.00 H new ATOM 0 HA MET A 10 -13.154 -17.111 10.952 1.00 0.00 H new ATOM 0 HB2 MET A 10 -14.350 -18.550 12.557 1.00 0.00 H new ATOM 0 HB3 MET A 10 -15.503 -17.587 11.654 1.00 0.00 H new ATOM 0 HG2 MET A 10 -16.563 -19.522 11.106 1.00 0.00 H new ATOM 0 HG3 MET A 10 -15.196 -19.908 10.080 1.00 0.00 H new ATOM 0 HE1 MET A 10 -15.321 -23.341 11.672 1.00 0.00 H new ATOM 0 HE2 MET A 10 -16.585 -22.344 10.912 1.00 0.00 H new ATOM 0 HE3 MET A 10 -14.944 -22.378 10.223 1.00 0.00 H new ATOM 112 N GLY A 11 -11.415 -18.813 10.772 1.00 0.00 N ATOM 113 CA GLY A 11 -10.348 -19.796 10.700 1.00 0.00 C ATOM 114 C GLY A 11 -9.036 -19.148 10.253 1.00 0.00 C ATOM 115 O GLY A 11 -8.411 -18.413 11.016 1.00 0.00 O ATOM 0 H GLY A 11 -11.120 -17.885 11.075 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -10.213 -20.264 11.675 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.624 -20.587 10.002 1.00 0.00 H new ATOM 119 N ASN A 12 -8.657 -19.445 9.018 1.00 0.00 N ATOM 120 CA ASN A 12 -7.431 -18.901 8.461 1.00 0.00 C ATOM 121 C ASN A 12 -7.683 -18.462 7.017 1.00 0.00 C ATOM 122 O ASN A 12 -8.548 -19.013 6.339 1.00 0.00 O ATOM 123 CB ASN A 12 -6.318 -19.952 8.448 1.00 0.00 C ATOM 124 CG ASN A 12 -6.693 -21.137 7.556 1.00 0.00 C ATOM 125 OD1 ASN A 12 -6.763 -21.036 6.342 1.00 0.00 O ATOM 126 ND2 ASN A 12 -6.930 -22.262 8.223 1.00 0.00 N ATOM 0 H ASN A 12 -9.178 -20.055 8.388 1.00 0.00 H new ATOM 0 HA ASN A 12 -7.124 -18.058 9.080 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -5.392 -19.502 8.090 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -6.131 -20.301 9.463 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -7.188 -23.110 7.718 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -6.854 -22.278 9.240 1.00 0.00 H new ATOM 133 N GLN A 13 -6.911 -17.474 6.589 1.00 0.00 N ATOM 134 CA GLN A 13 -7.039 -16.955 5.238 1.00 0.00 C ATOM 135 C GLN A 13 -5.658 -16.751 4.614 1.00 0.00 C ATOM 136 O GLN A 13 -5.374 -15.691 4.058 1.00 0.00 O ATOM 137 CB GLN A 13 -7.844 -15.654 5.225 1.00 0.00 C ATOM 138 CG GLN A 13 -8.176 -15.228 3.794 1.00 0.00 C ATOM 139 CD GLN A 13 -9.164 -14.060 3.784 1.00 0.00 C ATOM 140 OE1 GLN A 13 -8.854 -13.083 4.632 1.00 0.00 O flip ATOM 141 NE2 GLN A 13 -10.142 -14.045 3.055 1.00 0.00 N flip ATOM 0 H GLN A 13 -6.194 -17.019 7.154 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.582 -17.686 4.639 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.766 -15.787 5.792 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.276 -14.866 5.720 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.262 -14.940 3.275 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -8.599 -16.072 3.249 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.322 -14.828 2.427 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.780 -13.249 3.074 1.00 0.00 H new ATOM 150 N HIS A 14 -4.834 -17.783 4.727 1.00 0.00 N ATOM 151 CA HIS A 14 -3.489 -17.730 4.181 1.00 0.00 C ATOM 152 C HIS A 14 -2.705 -16.603 4.855 1.00 0.00 C ATOM 153 O HIS A 14 -3.255 -15.537 5.130 1.00 0.00 O ATOM 154 CB HIS A 14 -3.526 -17.598 2.657 1.00 0.00 C ATOM 155 CG HIS A 14 -2.312 -18.166 1.961 1.00 0.00 C ATOM 156 ND1 HIS A 14 -1.189 -17.410 1.676 1.00 0.00 N ATOM 157 CD2 HIS A 14 -2.059 -19.424 1.498 1.00 0.00 C ATOM 158 CE1 HIS A 14 -0.305 -18.188 1.068 1.00 0.00 C ATOM 159 NE2 HIS A 14 -0.846 -19.435 0.958 1.00 0.00 N ATOM 0 H HIS A 14 -5.072 -18.661 5.189 1.00 0.00 H new ATOM 0 HA HIS A 14 -2.969 -18.664 4.394 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.416 -18.101 2.281 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.622 -16.544 2.396 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.731 -20.267 1.560 1.00 0.00 H new ATOM 0 HE1 HIS A 14 0.672 -17.887 0.721 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -0.393 -20.243 0.531 1.00 0.00 H new ATOM 167 N PRO A 15 -1.398 -16.883 5.108 1.00 0.00 N ATOM 168 CA PRO A 15 -0.533 -15.904 5.745 1.00 0.00 C ATOM 169 C PRO A 15 -0.141 -14.798 4.764 1.00 0.00 C ATOM 170 O PRO A 15 0.292 -13.722 5.176 1.00 0.00 O ATOM 171 CB PRO A 15 0.660 -16.702 6.247 1.00 0.00 C ATOM 172 CG PRO A 15 0.643 -18.009 5.472 1.00 0.00 C ATOM 173 CD PRO A 15 -0.713 -18.133 4.796 1.00 0.00 C ATOM 0 HA PRO A 15 -1.022 -15.382 6.568 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.591 -16.160 6.079 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.586 -16.883 7.319 1.00 0.00 H new ATOM 0 HG2 PRO A 15 1.442 -18.023 4.731 1.00 0.00 H new ATOM 0 HG3 PRO A 15 0.814 -18.852 6.141 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.608 -18.269 3.720 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.267 -18.993 5.173 1.00 0.00 H new ATOM 181 N SER A 16 -0.308 -15.099 3.484 1.00 0.00 N ATOM 182 CA SER A 16 0.023 -14.143 2.441 1.00 0.00 C ATOM 183 C SER A 16 -1.203 -13.291 2.105 1.00 0.00 C ATOM 184 O SER A 16 -1.092 -12.078 1.932 1.00 0.00 O ATOM 185 CB SER A 16 0.537 -14.852 1.187 1.00 0.00 C ATOM 186 OG SER A 16 1.713 -15.613 1.448 1.00 0.00 O ATOM 0 H SER A 16 -0.668 -15.991 3.146 1.00 0.00 H new ATOM 0 HA SER A 16 0.818 -13.495 2.810 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.241 -15.509 0.797 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.747 -14.113 0.413 1.00 0.00 H new ATOM 0 HG SER A 16 2.411 -15.367 0.806 1.00 0.00 H new ATOM 192 N ILE A 17 -2.344 -13.959 2.021 1.00 0.00 N ATOM 193 CA ILE A 17 -3.589 -13.279 1.709 1.00 0.00 C ATOM 194 C ILE A 17 -4.026 -12.446 2.915 1.00 0.00 C ATOM 195 O ILE A 17 -4.385 -11.278 2.770 1.00 0.00 O ATOM 196 CB ILE A 17 -4.644 -14.282 1.239 1.00 0.00 C ATOM 197 CG1 ILE A 17 -4.142 -15.083 0.036 1.00 0.00 C ATOM 198 CG2 ILE A 17 -5.974 -13.582 0.947 1.00 0.00 C ATOM 199 CD1 ILE A 17 -4.144 -14.227 -1.233 1.00 0.00 C ATOM 0 H ILE A 17 -2.432 -14.965 2.164 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.448 -12.588 0.878 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.824 -14.992 2.046 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.133 -15.446 0.232 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.774 -15.959 -0.111 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.707 -14.317 0.615 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -6.335 -13.094 1.852 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.829 -12.836 0.166 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.783 -14.821 -2.073 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.158 -13.885 -1.440 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.492 -13.365 -1.091 1.00 0.00 H new ATOM 211 N SER A 18 -3.983 -13.078 4.078 1.00 0.00 N ATOM 212 CA SER A 18 -4.370 -12.410 5.309 1.00 0.00 C ATOM 213 C SER A 18 -3.493 -11.176 5.533 1.00 0.00 C ATOM 214 O SER A 18 -3.924 -10.209 6.159 1.00 0.00 O ATOM 215 CB SER A 18 -4.269 -13.358 6.506 1.00 0.00 C ATOM 216 OG SER A 18 -4.583 -12.704 7.732 1.00 0.00 O ATOM 0 H SER A 18 -3.686 -14.047 4.194 1.00 0.00 H new ATOM 0 HA SER A 18 -5.410 -12.097 5.216 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.946 -14.200 6.360 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.260 -13.767 6.561 1.00 0.00 H new ATOM 0 HG SER A 18 -4.509 -13.342 8.472 1.00 0.00 H new ATOM 222 N ARG A 19 -2.279 -11.250 5.009 1.00 0.00 N ATOM 223 CA ARG A 19 -1.337 -10.152 5.144 1.00 0.00 C ATOM 224 C ARG A 19 -1.875 -8.903 4.442 1.00 0.00 C ATOM 225 O ARG A 19 -2.066 -7.865 5.074 1.00 0.00 O ATOM 226 CB ARG A 19 0.024 -10.517 4.549 1.00 0.00 C ATOM 227 CG ARG A 19 1.163 -10.052 5.459 1.00 0.00 C ATOM 228 CD ARG A 19 1.405 -11.054 6.589 1.00 0.00 C ATOM 229 NE ARG A 19 2.100 -12.250 6.064 1.00 0.00 N ATOM 230 CZ ARG A 19 2.702 -13.168 6.834 1.00 0.00 C ATOM 231 NH1 ARG A 19 2.698 -13.031 8.167 1.00 0.00 N ATOM 232 NH2 ARG A 19 3.308 -14.222 6.270 1.00 0.00 N ATOM 0 H ARG A 19 -1.925 -12.054 4.490 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.213 -9.950 6.208 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.085 -11.596 4.407 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.130 -10.059 3.565 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.075 -9.931 4.874 1.00 0.00 H new ATOM 0 HG3 ARG A 19 0.922 -9.076 5.879 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.003 -10.591 7.375 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.455 -11.343 7.039 1.00 0.00 H new ATOM 0 HE ARG A 19 2.123 -12.385 5.053 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.237 -12.228 8.596 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.156 -13.729 8.753 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.311 -14.326 5.255 1.00 0.00 H new ATOM 0 HH22 ARG A 19 3.766 -14.920 6.855 1.00 0.00 H new ATOM 246 N LEU A 20 -2.103 -9.044 3.144 1.00 0.00 N ATOM 247 CA LEU A 20 -2.615 -7.941 2.350 1.00 0.00 C ATOM 248 C LEU A 20 -3.816 -7.318 3.064 1.00 0.00 C ATOM 249 O LEU A 20 -3.990 -6.100 3.047 1.00 0.00 O ATOM 250 CB LEU A 20 -2.919 -8.403 0.923 1.00 0.00 C ATOM 251 CG LEU A 20 -1.764 -8.300 -0.075 1.00 0.00 C ATOM 252 CD1 LEU A 20 -2.097 -9.034 -1.376 1.00 0.00 C ATOM 253 CD2 LEU A 20 -1.382 -6.840 -0.323 1.00 0.00 C ATOM 0 H LEU A 20 -1.942 -9.906 2.623 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.861 -7.160 2.253 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.249 -9.441 0.961 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.755 -7.816 0.543 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.893 -8.791 0.359 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.260 -8.945 -2.068 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.282 -10.087 -1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.987 -8.593 -1.825 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.559 -6.795 -1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.241 -6.303 -0.726 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.074 -6.380 0.616 1.00 0.00 H new ATOM 265 N GLN A 21 -4.615 -8.182 3.673 1.00 0.00 N ATOM 266 CA GLN A 21 -5.795 -7.732 4.392 1.00 0.00 C ATOM 267 C GLN A 21 -5.391 -6.856 5.579 1.00 0.00 C ATOM 268 O GLN A 21 -6.139 -5.966 5.981 1.00 0.00 O ATOM 269 CB GLN A 21 -6.644 -8.919 4.849 1.00 0.00 C ATOM 270 CG GLN A 21 -7.369 -9.563 3.666 1.00 0.00 C ATOM 271 CD GLN A 21 -8.725 -10.127 4.095 1.00 0.00 C ATOM 272 OE1 GLN A 21 -9.172 -9.953 5.216 1.00 0.00 O ATOM 273 NE2 GLN A 21 -9.352 -10.811 3.142 1.00 0.00 N ATOM 0 H GLN A 21 -4.468 -9.191 3.683 1.00 0.00 H new ATOM 0 HA GLN A 21 -6.403 -7.133 3.715 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -6.009 -9.658 5.337 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -7.372 -8.586 5.589 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -7.511 -8.825 2.877 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -6.755 -10.361 3.249 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -8.921 -10.919 2.224 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -10.264 -11.228 3.329 1.00 0.00 H new ATOM 282 N GLU A 22 -4.210 -7.139 6.108 1.00 0.00 N ATOM 283 CA GLU A 22 -3.698 -6.388 7.242 1.00 0.00 C ATOM 284 C GLU A 22 -2.952 -5.142 6.760 1.00 0.00 C ATOM 285 O GLU A 22 -2.650 -4.250 7.552 1.00 0.00 O ATOM 286 CB GLU A 22 -2.797 -7.262 8.116 1.00 0.00 C ATOM 287 CG GLU A 22 -1.775 -6.411 8.874 1.00 0.00 C ATOM 288 CD GLU A 22 -1.112 -7.217 9.992 1.00 0.00 C ATOM 289 OE1 GLU A 22 -0.385 -8.174 9.649 1.00 0.00 O ATOM 290 OE2 GLU A 22 -1.346 -6.857 11.166 1.00 0.00 O ATOM 0 H GLU A 22 -3.593 -7.878 5.772 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.542 -6.069 7.853 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.406 -7.823 8.825 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.278 -7.992 7.494 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.015 -6.048 8.183 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.267 -5.535 9.295 1.00 0.00 H new ATOM 297 N ILE A 23 -2.678 -5.119 5.464 1.00 0.00 N ATOM 298 CA ILE A 23 -1.974 -3.997 4.868 1.00 0.00 C ATOM 299 C ILE A 23 -2.985 -3.064 4.198 1.00 0.00 C ATOM 300 O ILE A 23 -3.024 -1.870 4.493 1.00 0.00 O ATOM 301 CB ILE A 23 -0.876 -4.493 3.925 1.00 0.00 C ATOM 302 CG1 ILE A 23 0.361 -4.935 4.708 1.00 0.00 C ATOM 303 CG2 ILE A 23 -0.540 -3.436 2.870 1.00 0.00 C ATOM 304 CD1 ILE A 23 0.773 -6.358 4.326 1.00 0.00 C ATOM 0 H ILE A 23 -2.931 -5.860 4.810 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.464 -3.416 5.636 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.251 -5.369 3.395 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.185 -4.249 4.511 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.155 -4.887 5.777 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.243 -3.814 2.213 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.430 -3.213 2.282 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.193 -2.528 3.363 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.655 -6.647 4.897 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.044 -7.045 4.547 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.002 -6.397 3.261 1.00 0.00 H new ATOM 316 N GLN A 24 -3.778 -3.643 3.309 1.00 0.00 N ATOM 317 CA GLN A 24 -4.786 -2.879 2.594 1.00 0.00 C ATOM 318 C GLN A 24 -5.554 -1.978 3.564 1.00 0.00 C ATOM 319 O GLN A 24 -5.850 -0.827 3.245 1.00 0.00 O ATOM 320 CB GLN A 24 -5.739 -3.803 1.834 1.00 0.00 C ATOM 321 CG GLN A 24 -5.038 -4.447 0.636 1.00 0.00 C ATOM 322 CD GLN A 24 -6.005 -5.328 -0.157 1.00 0.00 C ATOM 323 OE1 GLN A 24 -6.915 -5.936 0.382 1.00 0.00 O ATOM 324 NE2 GLN A 24 -5.759 -5.363 -1.464 1.00 0.00 N ATOM 0 H GLN A 24 -3.743 -4.633 3.067 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.284 -2.248 1.861 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.110 -4.579 2.503 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.605 -3.236 1.492 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.632 -3.671 -0.013 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.195 -5.046 0.982 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.980 -4.830 -1.851 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.349 -5.923 -2.079 1.00 0.00 H new ATOM 333 N ARG A 25 -5.856 -2.535 4.727 1.00 0.00 N ATOM 334 CA ARG A 25 -6.584 -1.796 5.745 1.00 0.00 C ATOM 335 C ARG A 25 -5.755 -0.606 6.232 1.00 0.00 C ATOM 336 O ARG A 25 -6.305 0.436 6.583 1.00 0.00 O ATOM 337 CB ARG A 25 -6.926 -2.692 6.937 1.00 0.00 C ATOM 338 CG ARG A 25 -5.657 -3.214 7.613 1.00 0.00 C ATOM 339 CD ARG A 25 -5.992 -3.965 8.903 1.00 0.00 C ATOM 340 NE ARG A 25 -6.257 -3.002 9.995 1.00 0.00 N ATOM 341 CZ ARG A 25 -6.618 -3.354 11.236 1.00 0.00 C ATOM 342 NH1 ARG A 25 -6.759 -4.649 11.551 1.00 0.00 N ATOM 343 NH2 ARG A 25 -6.838 -2.411 12.163 1.00 0.00 N ATOM 0 H ARG A 25 -5.610 -3.490 4.988 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.511 -1.438 5.296 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -7.522 -2.132 7.658 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.536 -3.531 6.602 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.123 -3.876 6.931 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.990 -2.381 7.836 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.864 -4.600 8.748 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.165 -4.620 9.177 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.159 -2.008 9.790 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.591 -5.367 10.846 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.034 -4.917 12.496 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.731 -1.425 11.923 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.113 -2.679 13.108 1.00 0.00 H new ATOM 357 N GLU A 26 -4.444 -0.802 6.237 1.00 0.00 N ATOM 358 CA GLU A 26 -3.534 0.243 6.675 1.00 0.00 C ATOM 359 C GLU A 26 -3.476 1.366 5.638 1.00 0.00 C ATOM 360 O GLU A 26 -3.841 2.504 5.929 1.00 0.00 O ATOM 361 CB GLU A 26 -2.139 -0.324 6.948 1.00 0.00 C ATOM 362 CG GLU A 26 -2.100 -1.063 8.287 1.00 0.00 C ATOM 363 CD GLU A 26 -1.374 -0.234 9.349 1.00 0.00 C ATOM 364 OE1 GLU A 26 -1.641 0.986 9.396 1.00 0.00 O ATOM 365 OE2 GLU A 26 -0.570 -0.839 10.090 1.00 0.00 O ATOM 0 H GLU A 26 -3.991 -1.668 5.945 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.911 0.658 7.610 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.855 -1.004 6.145 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.408 0.485 6.954 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.116 -1.276 8.619 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.597 -2.022 8.163 1.00 0.00 H new ATOM 372 N VAL A 27 -3.015 1.007 4.449 1.00 0.00 N ATOM 373 CA VAL A 27 -2.905 1.971 3.367 1.00 0.00 C ATOM 374 C VAL A 27 -4.255 2.661 3.166 1.00 0.00 C ATOM 375 O VAL A 27 -4.308 3.831 2.790 1.00 0.00 O ATOM 376 CB VAL A 27 -2.392 1.280 2.102 1.00 0.00 C ATOM 377 CG1 VAL A 27 -1.082 0.538 2.375 1.00 0.00 C ATOM 378 CG2 VAL A 27 -3.449 0.334 1.527 1.00 0.00 C ATOM 0 H VAL A 27 -2.713 0.062 4.211 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.179 2.745 3.616 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.191 2.050 1.357 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.739 0.056 1.459 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.327 1.246 2.717 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.245 -0.217 3.144 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.059 -0.144 0.628 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.696 -0.428 2.266 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.346 0.900 1.276 1.00 0.00 H new ATOM 388 N LYS A 28 -5.314 1.908 3.425 1.00 0.00 N ATOM 389 CA LYS A 28 -6.661 2.433 3.277 1.00 0.00 C ATOM 390 C LYS A 28 -6.986 3.334 4.470 1.00 0.00 C ATOM 391 O LYS A 28 -7.605 4.385 4.308 1.00 0.00 O ATOM 392 CB LYS A 28 -7.661 1.293 3.076 1.00 0.00 C ATOM 393 CG LYS A 28 -9.031 1.833 2.658 1.00 0.00 C ATOM 394 CD LYS A 28 -9.294 1.570 1.174 1.00 0.00 C ATOM 395 CE LYS A 28 -9.732 0.122 0.943 1.00 0.00 C ATOM 396 NZ LYS A 28 -10.432 -0.007 -0.354 1.00 0.00 N ATOM 0 H LYS A 28 -5.266 0.938 3.737 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.733 3.051 2.382 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.288 0.608 2.315 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.757 0.722 3.999 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.810 1.363 3.258 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -9.080 2.904 2.855 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.066 2.249 0.812 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.392 1.777 0.599 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.862 -0.534 0.960 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.389 -0.199 1.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.722 -0.996 -0.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.273 0.605 -0.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.793 0.279 -1.123 1.00 0.00 H new ATOM 410 N ALA A 29 -6.555 2.890 5.641 1.00 0.00 N ATOM 411 CA ALA A 29 -6.793 3.643 6.861 1.00 0.00 C ATOM 412 C ALA A 29 -5.900 4.885 6.870 1.00 0.00 C ATOM 413 O ALA A 29 -6.075 5.773 7.703 1.00 0.00 O ATOM 414 CB ALA A 29 -6.550 2.741 8.073 1.00 0.00 C ATOM 0 H ALA A 29 -6.042 2.018 5.771 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.828 3.981 6.908 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.728 3.305 8.988 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.228 1.889 8.034 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.520 2.385 8.061 1.00 0.00 H new ATOM 420 N ILE A 30 -4.962 4.908 5.935 1.00 0.00 N ATOM 421 CA ILE A 30 -4.041 6.026 5.825 1.00 0.00 C ATOM 422 C ILE A 30 -4.213 6.691 4.458 1.00 0.00 C ATOM 423 O ILE A 30 -3.545 7.679 4.155 1.00 0.00 O ATOM 424 CB ILE A 30 -2.608 5.572 6.112 1.00 0.00 C ATOM 425 CG1 ILE A 30 -2.087 4.665 4.995 1.00 0.00 C ATOM 426 CG2 ILE A 30 -2.509 4.904 7.485 1.00 0.00 C ATOM 427 CD1 ILE A 30 -0.982 5.359 4.196 1.00 0.00 C ATOM 0 H ILE A 30 -4.820 4.169 5.246 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.268 6.781 6.578 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.968 6.454 6.136 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.704 3.738 5.423 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.907 4.394 4.329 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.480 4.591 7.664 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.812 5.612 8.257 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.164 4.033 7.514 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.629 4.693 3.409 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.375 6.273 3.750 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.154 5.607 4.860 1.00 0.00 H new ATOM 439 N GLU A 31 -5.113 6.122 3.668 1.00 0.00 N ATOM 440 CA GLU A 31 -5.381 6.648 2.340 1.00 0.00 C ATOM 441 C GLU A 31 -5.856 8.099 2.430 1.00 0.00 C ATOM 442 O GLU A 31 -5.378 8.959 1.691 1.00 0.00 O ATOM 443 CB GLU A 31 -6.405 5.781 1.605 1.00 0.00 C ATOM 444 CG GLU A 31 -7.184 6.604 0.577 1.00 0.00 C ATOM 445 CD GLU A 31 -8.305 5.776 -0.053 1.00 0.00 C ATOM 446 OE1 GLU A 31 -8.031 4.599 -0.371 1.00 0.00 O ATOM 447 OE2 GLU A 31 -9.411 6.339 -0.203 1.00 0.00 O ATOM 0 H GLU A 31 -5.665 5.303 3.922 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.454 6.625 1.767 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.897 4.956 1.106 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.097 5.341 2.323 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.605 7.487 1.057 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.506 6.956 -0.201 1.00 0.00 H new ATOM 454 N PRO A 32 -6.814 8.335 3.365 1.00 0.00 N ATOM 455 CA PRO A 32 -7.359 9.668 3.560 1.00 0.00 C ATOM 456 C PRO A 32 -6.365 10.562 4.304 1.00 0.00 C ATOM 457 O PRO A 32 -6.563 11.772 4.398 1.00 0.00 O ATOM 458 CB PRO A 32 -8.655 9.455 4.325 1.00 0.00 C ATOM 459 CG PRO A 32 -8.557 8.066 4.934 1.00 0.00 C ATOM 460 CD PRO A 32 -7.404 7.341 4.258 1.00 0.00 C ATOM 0 HA PRO A 32 -7.548 10.188 2.621 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.781 10.212 5.099 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.517 9.531 3.662 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -8.389 8.131 6.009 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -9.489 7.519 4.790 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.678 6.984 4.988 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.754 6.470 3.705 1.00 0.00 H new ATOM 468 N GLN A 33 -5.317 9.931 4.814 1.00 0.00 N ATOM 469 CA GLN A 33 -4.292 10.654 5.547 1.00 0.00 C ATOM 470 C GLN A 33 -3.330 11.342 4.576 1.00 0.00 C ATOM 471 O GLN A 33 -2.576 12.231 4.968 1.00 0.00 O ATOM 472 CB GLN A 33 -3.538 9.723 6.498 1.00 0.00 C ATOM 473 CG GLN A 33 -4.238 9.642 7.856 1.00 0.00 C ATOM 474 CD GLN A 33 -3.255 9.238 8.957 1.00 0.00 C ATOM 475 OE1 GLN A 33 -2.621 8.093 8.721 1.00 0.00 O flip ATOM 476 NE2 GLN A 33 -3.084 9.920 9.954 1.00 0.00 N flip ATOM 0 H GLN A 33 -5.156 8.927 4.734 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.778 11.421 6.151 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.470 8.727 6.060 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.518 10.083 6.632 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.683 10.607 8.098 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.052 8.919 7.807 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.604 10.789 10.073 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -2.421 9.621 10.669 1.00 0.00 H new ATOM 485 N VAL A 34 -3.387 10.903 3.327 1.00 0.00 N ATOM 486 CA VAL A 34 -2.531 11.465 2.296 1.00 0.00 C ATOM 487 C VAL A 34 -3.379 12.294 1.330 1.00 0.00 C ATOM 488 O VAL A 34 -2.924 13.316 0.818 1.00 0.00 O ATOM 489 CB VAL A 34 -1.749 10.349 1.600 1.00 0.00 C ATOM 490 CG1 VAL A 34 -1.822 9.047 2.400 1.00 0.00 C ATOM 491 CG2 VAL A 34 -2.247 10.142 0.168 1.00 0.00 C ATOM 0 H VAL A 34 -4.013 10.164 3.006 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.793 12.135 2.736 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.703 10.653 1.550 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.258 8.270 1.883 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.398 9.205 3.391 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.863 8.737 2.496 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.675 9.344 -0.304 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.303 9.871 0.186 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.119 11.064 -0.399 1.00 0.00 H new ATOM 501 N VAL A 35 -4.598 11.822 1.109 1.00 0.00 N ATOM 502 CA VAL A 35 -5.514 12.507 0.213 1.00 0.00 C ATOM 503 C VAL A 35 -5.815 13.901 0.766 1.00 0.00 C ATOM 504 O VAL A 35 -5.797 14.884 0.025 1.00 0.00 O ATOM 505 CB VAL A 35 -6.772 11.662 0.005 1.00 0.00 C ATOM 506 CG1 VAL A 35 -7.809 12.418 -0.828 1.00 0.00 C ATOM 507 CG2 VAL A 35 -6.429 10.316 -0.636 1.00 0.00 C ATOM 0 H VAL A 35 -4.972 10.974 1.535 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.061 12.638 -0.769 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.208 11.465 0.984 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.693 11.795 -0.961 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.087 13.338 -0.314 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.386 12.660 -1.803 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.341 9.735 -0.773 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.957 10.484 -1.604 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.744 9.769 0.012 1.00 0.00 H new ATOM 517 N GLY A 36 -6.083 13.944 2.062 1.00 0.00 N ATOM 518 CA GLY A 36 -6.388 15.201 2.723 1.00 0.00 C ATOM 519 C GLY A 36 -5.179 15.714 3.509 1.00 0.00 C ATOM 520 O GLY A 36 -5.336 16.359 4.545 1.00 0.00 O ATOM 0 H GLY A 36 -6.095 13.127 2.673 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.686 15.943 1.982 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.234 15.066 3.397 1.00 0.00 H new ATOM 524 N PHE A 37 -4.001 15.407 2.988 1.00 0.00 N ATOM 525 CA PHE A 37 -2.766 15.829 3.628 1.00 0.00 C ATOM 526 C PHE A 37 -2.392 17.253 3.213 1.00 0.00 C ATOM 527 O PHE A 37 -2.774 17.711 2.137 1.00 0.00 O ATOM 528 CB PHE A 37 -1.670 14.869 3.161 1.00 0.00 C ATOM 529 CG PHE A 37 -0.249 15.373 3.423 1.00 0.00 C ATOM 530 CD1 PHE A 37 0.109 15.781 4.670 1.00 0.00 C ATOM 531 CD2 PHE A 37 0.656 15.413 2.408 1.00 0.00 C ATOM 532 CE1 PHE A 37 1.427 16.249 4.913 1.00 0.00 C ATOM 533 CE2 PHE A 37 1.974 15.881 2.651 1.00 0.00 C ATOM 534 CZ PHE A 37 2.332 16.289 3.898 1.00 0.00 C ATOM 0 H PHE A 37 -3.875 14.871 2.130 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.885 15.815 4.711 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.803 13.910 3.662 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.790 14.689 2.093 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.610 15.749 5.476 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.372 15.089 1.418 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.711 16.573 5.903 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.693 15.913 1.845 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.335 16.645 4.083 1.00 0.00 H new ATOM 544 N SER A 38 -1.649 17.914 4.089 1.00 0.00 N ATOM 545 CA SER A 38 -1.219 19.277 3.827 1.00 0.00 C ATOM 546 C SER A 38 0.162 19.517 4.440 1.00 0.00 C ATOM 547 O SER A 38 0.296 19.611 5.659 1.00 0.00 O ATOM 548 CB SER A 38 -2.226 20.288 4.377 1.00 0.00 C ATOM 549 OG SER A 38 -3.534 20.080 3.850 1.00 0.00 O ATOM 0 H SER A 38 -1.334 17.531 4.980 1.00 0.00 H new ATOM 0 HA SER A 38 -1.160 19.415 2.747 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.257 20.214 5.464 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.894 21.298 4.136 1.00 0.00 H new ATOM 0 HG SER A 38 -4.148 20.744 4.227 1.00 0.00 H new ATOM 555 N GLY A 39 1.155 19.608 3.567 1.00 0.00 N ATOM 556 CA GLY A 39 2.521 19.835 4.007 1.00 0.00 C ATOM 557 C GLY A 39 3.523 19.352 2.957 1.00 0.00 C ATOM 558 O GLY A 39 3.333 18.298 2.351 1.00 0.00 O ATOM 0 H GLY A 39 1.040 19.529 2.557 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.673 20.897 4.199 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.695 19.313 4.948 1.00 0.00 H new ATOM 562 N LEU A 40 4.568 20.145 2.773 1.00 0.00 N ATOM 563 CA LEU A 40 5.600 19.811 1.807 1.00 0.00 C ATOM 564 C LEU A 40 6.066 18.373 2.041 1.00 0.00 C ATOM 565 O LEU A 40 5.599 17.708 2.964 1.00 0.00 O ATOM 566 CB LEU A 40 6.732 20.840 1.855 1.00 0.00 C ATOM 567 CG LEU A 40 6.892 21.720 0.613 1.00 0.00 C ATOM 568 CD1 LEU A 40 7.881 22.857 0.872 1.00 0.00 C ATOM 569 CD2 LEU A 40 7.287 20.882 -0.605 1.00 0.00 C ATOM 0 H LEU A 40 4.722 21.018 3.277 1.00 0.00 H new ATOM 0 HA LEU A 40 5.202 19.856 0.793 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.571 21.488 2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.670 20.311 2.025 1.00 0.00 H new ATOM 0 HG LEU A 40 5.928 22.177 0.390 1.00 0.00 H new ATOM 0 HD11 LEU A 40 7.977 23.467 -0.026 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.518 23.475 1.694 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.854 22.441 1.133 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.394 21.531 -1.474 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.234 20.379 -0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.515 20.138 -0.801 1.00 0.00 H new ATOM 581 N SER A 41 6.981 17.935 1.189 1.00 0.00 N ATOM 582 CA SER A 41 7.516 16.588 1.292 1.00 0.00 C ATOM 583 C SER A 41 8.811 16.599 2.106 1.00 0.00 C ATOM 584 O SER A 41 9.281 17.659 2.517 1.00 0.00 O ATOM 585 CB SER A 41 7.764 15.987 -0.093 1.00 0.00 C ATOM 586 OG SER A 41 8.950 16.501 -0.693 1.00 0.00 O ATOM 0 H SER A 41 7.366 18.489 0.424 1.00 0.00 H new ATOM 0 HA SER A 41 6.780 15.966 1.802 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.840 14.903 -0.009 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.911 16.198 -0.738 1.00 0.00 H new ATOM 0 HG SER A 41 9.074 16.092 -1.575 1.00 0.00 H new ATOM 592 N ASP A 42 9.352 15.408 2.314 1.00 0.00 N ATOM 593 CA ASP A 42 10.584 15.267 3.071 1.00 0.00 C ATOM 594 C ASP A 42 10.569 16.246 4.247 1.00 0.00 C ATOM 595 O ASP A 42 11.511 17.016 4.431 1.00 0.00 O ATOM 596 CB ASP A 42 11.803 15.588 2.204 1.00 0.00 C ATOM 597 CG ASP A 42 11.749 15.032 0.780 1.00 0.00 C ATOM 598 OD1 ASP A 42 11.464 13.821 0.655 1.00 0.00 O ATOM 599 OD2 ASP A 42 11.994 15.829 -0.151 1.00 0.00 O ATOM 0 H ASP A 42 8.960 14.531 1.971 1.00 0.00 H new ATOM 0 HA ASP A 42 10.650 14.236 3.419 1.00 0.00 H new ATOM 0 HB2 ASP A 42 11.917 16.671 2.151 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.693 15.197 2.697 1.00 0.00 H new ATOM 604 N ASP A 43 9.490 16.184 5.013 1.00 0.00 N ATOM 605 CA ASP A 43 9.340 17.056 6.166 1.00 0.00 C ATOM 606 C ASP A 43 8.880 16.229 7.368 1.00 0.00 C ATOM 607 O ASP A 43 8.439 15.091 7.212 1.00 0.00 O ATOM 608 CB ASP A 43 8.290 18.137 5.907 1.00 0.00 C ATOM 609 CG ASP A 43 8.798 19.575 6.031 1.00 0.00 C ATOM 610 OD1 ASP A 43 9.951 19.808 5.609 1.00 0.00 O ATOM 611 OD2 ASP A 43 8.022 20.409 6.546 1.00 0.00 O ATOM 0 H ASP A 43 8.711 15.544 4.858 1.00 0.00 H new ATOM 0 HA ASP A 43 10.303 17.528 6.359 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.885 17.996 4.905 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.466 17.997 6.607 1.00 0.00 H new ATOM 616 N LYS A 44 8.998 16.833 8.542 1.00 0.00 N ATOM 617 CA LYS A 44 8.599 16.166 9.770 1.00 0.00 C ATOM 618 C LYS A 44 7.078 16.001 9.785 1.00 0.00 C ATOM 619 O LYS A 44 6.389 16.634 10.583 1.00 0.00 O ATOM 620 CB LYS A 44 9.148 16.913 10.987 1.00 0.00 C ATOM 621 CG LYS A 44 10.315 16.150 11.618 1.00 0.00 C ATOM 622 CD LYS A 44 11.024 17.005 12.671 1.00 0.00 C ATOM 623 CE LYS A 44 11.958 18.022 12.013 1.00 0.00 C ATOM 624 NZ LYS A 44 11.563 19.401 12.378 1.00 0.00 N ATOM 0 H LYS A 44 9.364 17.777 8.669 1.00 0.00 H new ATOM 0 HA LYS A 44 9.029 15.165 9.817 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.478 17.908 10.689 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.356 17.047 11.724 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.948 15.232 12.077 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.024 15.858 10.844 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.285 17.526 13.280 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.595 16.363 13.342 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.985 17.837 12.326 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.929 17.904 10.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.207 20.079 11.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.590 19.580 12.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.614 19.515 13.410 1.00 0.00 H new ATOM 638 N ASN A 45 6.599 15.146 8.892 1.00 0.00 N ATOM 639 CA ASN A 45 5.173 14.889 8.793 1.00 0.00 C ATOM 640 C ASN A 45 4.902 14.005 7.574 1.00 0.00 C ATOM 641 O ASN A 45 4.146 13.038 7.660 1.00 0.00 O ATOM 642 CB ASN A 45 4.390 16.192 8.615 1.00 0.00 C ATOM 643 CG ASN A 45 3.850 16.695 9.956 1.00 0.00 C ATOM 644 OD1 ASN A 45 3.256 15.962 10.729 1.00 0.00 O ATOM 645 ND2 ASN A 45 4.090 17.982 10.186 1.00 0.00 N ATOM 0 H ASN A 45 7.174 14.623 8.231 1.00 0.00 H new ATOM 0 HA ASN A 45 4.854 14.399 9.713 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.035 16.950 8.171 1.00 0.00 H new ATOM 0 HB3 ASN A 45 3.563 16.032 7.923 1.00 0.00 H new ATOM 0 HD21 ASN A 45 3.771 18.413 11.053 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.594 18.538 9.495 1.00 0.00 H new ATOM 652 N TYR A 46 5.534 14.367 6.468 1.00 0.00 N ATOM 653 CA TYR A 46 5.371 13.619 5.233 1.00 0.00 C ATOM 654 C TYR A 46 6.088 12.269 5.311 1.00 0.00 C ATOM 655 O TYR A 46 5.740 11.335 4.591 1.00 0.00 O ATOM 656 CB TYR A 46 6.021 14.466 4.137 1.00 0.00 C ATOM 657 CG TYR A 46 6.150 13.749 2.791 1.00 0.00 C ATOM 658 CD1 TYR A 46 7.235 12.931 2.547 1.00 0.00 C ATOM 659 CD2 TYR A 46 5.183 13.921 1.823 1.00 0.00 C ATOM 660 CE1 TYR A 46 7.356 12.257 1.280 1.00 0.00 C ATOM 661 CE2 TYR A 46 5.304 13.246 0.556 1.00 0.00 C ATOM 662 CZ TYR A 46 6.385 12.448 0.347 1.00 0.00 C ATOM 663 OH TYR A 46 6.500 11.811 -0.849 1.00 0.00 O ATOM 0 H TYR A 46 6.161 15.169 6.401 1.00 0.00 H new ATOM 0 HA TYR A 46 4.316 13.424 5.039 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.435 15.375 3.998 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.012 14.774 4.470 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.992 12.797 3.305 1.00 0.00 H new ATOM 0 HD2 TYR A 46 4.335 14.562 2.015 1.00 0.00 H new ATOM 0 HE1 TYR A 46 8.199 11.614 1.075 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.553 13.371 -0.210 1.00 0.00 H new ATOM 0 HH TYR A 46 6.886 10.921 -0.710 1.00 0.00 H new ATOM 673 N LYS A 47 7.075 12.210 6.192 1.00 0.00 N ATOM 674 CA LYS A 47 7.844 10.991 6.374 1.00 0.00 C ATOM 675 C LYS A 47 6.935 9.900 6.943 1.00 0.00 C ATOM 676 O LYS A 47 6.931 8.772 6.452 1.00 0.00 O ATOM 677 CB LYS A 47 9.086 11.263 7.225 1.00 0.00 C ATOM 678 CG LYS A 47 9.905 12.420 6.648 1.00 0.00 C ATOM 679 CD LYS A 47 10.705 11.968 5.425 1.00 0.00 C ATOM 680 CE LYS A 47 12.035 11.338 5.843 1.00 0.00 C ATOM 681 NZ LYS A 47 12.745 12.214 6.802 1.00 0.00 N ATOM 0 H LYS A 47 7.360 12.987 6.788 1.00 0.00 H new ATOM 0 HA LYS A 47 8.216 10.628 5.416 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.787 11.499 8.246 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.702 10.365 7.273 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.240 13.238 6.370 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.584 12.805 7.409 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.122 11.248 4.850 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.892 12.821 4.772 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.856 10.363 6.296 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.657 11.171 4.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.768 12.174 6.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.411 13.193 6.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.556 11.891 7.772 1.00 0.00 H new ATOM 695 N ARG A 48 6.186 10.274 7.970 1.00 0.00 N ATOM 696 CA ARG A 48 5.275 9.342 8.611 1.00 0.00 C ATOM 697 C ARG A 48 4.328 8.729 7.577 1.00 0.00 C ATOM 698 O ARG A 48 4.162 7.511 7.527 1.00 0.00 O ATOM 699 CB ARG A 48 4.452 10.035 9.698 1.00 0.00 C ATOM 700 CG ARG A 48 4.184 9.089 10.870 1.00 0.00 C ATOM 701 CD ARG A 48 3.591 9.845 12.061 1.00 0.00 C ATOM 702 NE ARG A 48 2.322 9.211 12.482 1.00 0.00 N ATOM 703 CZ ARG A 48 1.522 9.696 13.441 1.00 0.00 C ATOM 704 NH1 ARG A 48 1.854 10.824 14.084 1.00 0.00 N ATOM 705 NH2 ARG A 48 0.389 9.053 13.757 1.00 0.00 N ATOM 0 H ARG A 48 6.192 11.211 8.374 1.00 0.00 H new ATOM 0 HA ARG A 48 5.874 8.556 9.071 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.983 10.918 10.053 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.506 10.378 9.279 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.498 8.302 10.557 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.113 8.603 11.169 1.00 0.00 H new ATOM 0 HD2 ARG A 48 4.299 9.847 12.890 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.415 10.886 11.790 1.00 0.00 H new ATOM 0 HE ARG A 48 2.039 8.351 12.013 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.716 11.313 13.843 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.245 11.193 14.814 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.136 8.195 13.267 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.220 9.422 14.487 1.00 0.00 H new ATOM 719 N LEU A 49 3.733 9.601 6.777 1.00 0.00 N ATOM 720 CA LEU A 49 2.807 9.161 5.747 1.00 0.00 C ATOM 721 C LEU A 49 3.539 8.238 4.771 1.00 0.00 C ATOM 722 O LEU A 49 3.210 7.057 4.663 1.00 0.00 O ATOM 723 CB LEU A 49 2.143 10.364 5.074 1.00 0.00 C ATOM 724 CG LEU A 49 1.223 11.205 5.962 1.00 0.00 C ATOM 725 CD1 LEU A 49 0.581 12.342 5.164 1.00 0.00 C ATOM 726 CD2 LEU A 49 0.178 10.329 6.654 1.00 0.00 C ATOM 0 H LEU A 49 3.874 10.610 6.821 1.00 0.00 H new ATOM 0 HA LEU A 49 1.995 8.582 6.187 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.925 11.012 4.679 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.565 10.006 4.222 1.00 0.00 H new ATOM 0 HG LEU A 49 1.828 11.662 6.745 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.068 12.924 5.818 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.360 12.987 4.758 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.007 11.926 4.346 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.463 10.952 7.279 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.429 9.824 5.902 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.679 9.586 7.275 1.00 0.00 H new ATOM 738 N GLU A 50 4.516 8.810 4.084 1.00 0.00 N ATOM 739 CA GLU A 50 5.297 8.053 3.120 1.00 0.00 C ATOM 740 C GLU A 50 5.789 6.746 3.746 1.00 0.00 C ATOM 741 O GLU A 50 5.547 5.666 3.208 1.00 0.00 O ATOM 742 CB GLU A 50 6.468 8.882 2.590 1.00 0.00 C ATOM 743 CG GLU A 50 7.393 8.031 1.718 1.00 0.00 C ATOM 744 CD GLU A 50 8.220 8.908 0.777 1.00 0.00 C ATOM 745 OE1 GLU A 50 7.641 9.358 -0.236 1.00 0.00 O ATOM 746 OE2 GLU A 50 9.413 9.109 1.091 1.00 0.00 O ATOM 0 H GLU A 50 4.785 9.790 4.176 1.00 0.00 H new ATOM 0 HA GLU A 50 4.656 7.809 2.273 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.089 9.724 2.010 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.031 9.298 3.425 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.058 7.444 2.352 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.801 7.324 1.136 1.00 0.00 H new ATOM 753 N ARG A 51 6.471 6.887 4.873 1.00 0.00 N ATOM 754 CA ARG A 51 6.999 5.731 5.577 1.00 0.00 C ATOM 755 C ARG A 51 5.948 4.621 5.640 1.00 0.00 C ATOM 756 O ARG A 51 6.224 3.477 5.281 1.00 0.00 O ATOM 757 CB ARG A 51 7.427 6.100 6.999 1.00 0.00 C ATOM 758 CG ARG A 51 8.833 6.703 7.010 1.00 0.00 C ATOM 759 CD ARG A 51 9.900 5.607 6.992 1.00 0.00 C ATOM 760 NE ARG A 51 11.249 6.214 6.964 1.00 0.00 N ATOM 761 CZ ARG A 51 12.377 5.528 6.737 1.00 0.00 C ATOM 762 NH1 ARG A 51 12.325 4.208 6.515 1.00 0.00 N ATOM 763 NH2 ARG A 51 13.558 6.163 6.730 1.00 0.00 N ATOM 0 H ARG A 51 6.670 7.784 5.316 1.00 0.00 H new ATOM 0 HA ARG A 51 7.872 5.379 5.027 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.719 6.812 7.422 1.00 0.00 H new ATOM 0 HB3 ARG A 51 7.403 5.213 7.631 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.960 7.354 6.145 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.959 7.324 7.897 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.796 4.972 7.872 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.762 4.968 6.120 1.00 0.00 H new ATOM 0 HE ARG A 51 11.325 7.218 7.128 1.00 0.00 H new ATOM 0 HH11 ARG A 51 11.426 3.725 6.519 1.00 0.00 H new ATOM 0 HH12 ARG A 51 13.184 3.686 6.342 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.597 7.168 6.898 1.00 0.00 H new ATOM 0 HH22 ARG A 51 14.417 5.641 6.557 1.00 0.00 H new ATOM 777 N ILE A 52 4.763 4.998 6.099 1.00 0.00 N ATOM 778 CA ILE A 52 3.669 4.049 6.213 1.00 0.00 C ATOM 779 C ILE A 52 3.509 3.299 4.889 1.00 0.00 C ATOM 780 O ILE A 52 3.675 2.081 4.837 1.00 0.00 O ATOM 781 CB ILE A 52 2.393 4.755 6.678 1.00 0.00 C ATOM 782 CG1 ILE A 52 2.529 5.237 8.124 1.00 0.00 C ATOM 783 CG2 ILE A 52 1.169 3.858 6.485 1.00 0.00 C ATOM 784 CD1 ILE A 52 1.703 6.503 8.360 1.00 0.00 C ATOM 0 H ILE A 52 4.537 5.947 6.396 1.00 0.00 H new ATOM 0 HA ILE A 52 3.890 3.304 6.977 1.00 0.00 H new ATOM 0 HB ILE A 52 2.245 5.639 6.057 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.201 4.452 8.805 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.577 5.435 8.348 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.276 4.383 6.823 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.065 3.607 5.429 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.293 2.943 7.065 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.817 6.824 9.395 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.050 7.293 7.694 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.652 6.295 8.159 1.00 0.00 H new ATOM 796 N LEU A 53 3.188 4.058 3.851 1.00 0.00 N ATOM 797 CA LEU A 53 3.004 3.480 2.531 1.00 0.00 C ATOM 798 C LEU A 53 4.247 2.672 2.155 1.00 0.00 C ATOM 799 O LEU A 53 4.151 1.484 1.849 1.00 0.00 O ATOM 800 CB LEU A 53 2.647 4.568 1.515 1.00 0.00 C ATOM 801 CG LEU A 53 1.219 5.110 1.588 1.00 0.00 C ATOM 802 CD1 LEU A 53 1.067 6.371 0.734 1.00 0.00 C ATOM 803 CD2 LEU A 53 0.203 4.032 1.204 1.00 0.00 C ATOM 0 H LEU A 53 3.051 5.068 3.898 1.00 0.00 H new ATOM 0 HA LEU A 53 2.162 2.788 2.532 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.338 5.401 1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.813 4.171 0.514 1.00 0.00 H new ATOM 0 HG LEU A 53 1.013 5.393 2.620 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.042 6.736 0.803 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.751 7.139 1.094 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.299 6.137 -0.305 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.805 4.444 1.264 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.397 3.695 0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.292 3.188 1.888 1.00 0.00 H new ATOM 815 N THR A 54 5.387 3.348 2.189 1.00 0.00 N ATOM 816 CA THR A 54 6.647 2.707 1.856 1.00 0.00 C ATOM 817 C THR A 54 6.781 1.375 2.596 1.00 0.00 C ATOM 818 O THR A 54 7.097 0.352 1.990 1.00 0.00 O ATOM 819 CB THR A 54 7.775 3.692 2.169 1.00 0.00 C ATOM 820 OG1 THR A 54 8.605 3.649 1.011 1.00 0.00 O ATOM 821 CG2 THR A 54 8.685 3.201 3.297 1.00 0.00 C ATOM 0 H THR A 54 5.463 4.333 2.442 1.00 0.00 H new ATOM 0 HA THR A 54 6.696 2.459 0.796 1.00 0.00 H new ATOM 0 HB THR A 54 7.348 4.658 2.441 1.00 0.00 H new ATOM 0 HG1 THR A 54 9.362 4.261 1.128 1.00 0.00 H new ATOM 0 HG21 THR A 54 9.468 3.937 3.479 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.098 3.064 4.205 1.00 0.00 H new ATOM 0 HG23 THR A 54 9.138 2.252 3.012 1.00 0.00 H new ATOM 829 N LYS A 55 6.533 1.430 3.897 1.00 0.00 N ATOM 830 CA LYS A 55 6.621 0.240 4.726 1.00 0.00 C ATOM 831 C LYS A 55 5.601 -0.792 4.241 1.00 0.00 C ATOM 832 O LYS A 55 5.965 -1.913 3.889 1.00 0.00 O ATOM 833 CB LYS A 55 6.471 0.605 6.204 1.00 0.00 C ATOM 834 CG LYS A 55 7.838 0.716 6.883 1.00 0.00 C ATOM 835 CD LYS A 55 7.908 1.956 7.777 1.00 0.00 C ATOM 836 CE LYS A 55 7.521 1.615 9.217 1.00 0.00 C ATOM 837 NZ LYS A 55 6.782 2.740 9.835 1.00 0.00 N ATOM 0 H LYS A 55 6.271 2.280 4.397 1.00 0.00 H new ATOM 0 HA LYS A 55 7.606 -0.217 4.632 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.937 1.551 6.296 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.870 -0.151 6.710 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.025 -0.177 7.479 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.621 0.764 6.126 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.917 2.368 7.755 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.241 2.726 7.390 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.905 0.716 9.231 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.417 1.397 9.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.527 2.492 10.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.382 3.589 9.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.918 2.929 9.289 1.00 0.00 H new ATOM 851 N GLN A 56 4.343 -0.377 4.238 1.00 0.00 N ATOM 852 CA GLN A 56 3.267 -1.251 3.803 1.00 0.00 C ATOM 853 C GLN A 56 3.595 -1.855 2.436 1.00 0.00 C ATOM 854 O GLN A 56 3.510 -3.069 2.253 1.00 0.00 O ATOM 855 CB GLN A 56 1.933 -0.502 3.765 1.00 0.00 C ATOM 856 CG GLN A 56 1.486 -0.107 5.174 1.00 0.00 C ATOM 857 CD GLN A 56 1.571 -1.298 6.130 1.00 0.00 C ATOM 858 OE1 GLN A 56 0.645 -2.229 5.917 1.00 0.00 O flip ATOM 859 NE2 GLN A 56 2.420 -1.367 7.003 1.00 0.00 N flip ATOM 0 H GLN A 56 4.045 0.554 4.530 1.00 0.00 H new ATOM 0 HA GLN A 56 3.170 -2.062 4.524 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.030 0.390 3.147 1.00 0.00 H new ATOM 0 HB3 GLN A 56 1.172 -1.130 3.301 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.111 0.706 5.543 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.463 0.267 5.143 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.102 -0.616 7.112 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.448 -2.176 7.624 1.00 0.00 H new ATOM 868 N LEU A 57 3.963 -0.981 1.511 1.00 0.00 N ATOM 869 CA LEU A 57 4.305 -1.414 0.166 1.00 0.00 C ATOM 870 C LEU A 57 5.376 -2.504 0.242 1.00 0.00 C ATOM 871 O LEU A 57 5.153 -3.630 -0.200 1.00 0.00 O ATOM 872 CB LEU A 57 4.707 -0.216 -0.696 1.00 0.00 C ATOM 873 CG LEU A 57 5.313 -0.546 -2.062 1.00 0.00 C ATOM 874 CD1 LEU A 57 6.811 -0.831 -1.942 1.00 0.00 C ATOM 875 CD2 LEU A 57 4.561 -1.698 -2.732 1.00 0.00 C ATOM 0 H LEU A 57 4.032 0.025 1.666 1.00 0.00 H new ATOM 0 HA LEU A 57 3.437 -1.854 -0.325 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.826 0.406 -0.852 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.425 0.384 -0.137 1.00 0.00 H new ATOM 0 HG LEU A 57 5.202 0.327 -2.705 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.217 -1.063 -2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.317 0.046 -1.538 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.968 -1.679 -1.276 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.012 -1.912 -3.701 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.618 -2.585 -2.101 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.517 -1.418 -2.872 1.00 0.00 H new ATOM 887 N PHE A 58 6.515 -2.131 0.806 1.00 0.00 N ATOM 888 CA PHE A 58 7.621 -3.062 0.946 1.00 0.00 C ATOM 889 C PHE A 58 7.140 -4.406 1.497 1.00 0.00 C ATOM 890 O PHE A 58 7.715 -5.449 1.190 1.00 0.00 O ATOM 891 CB PHE A 58 8.607 -2.441 1.937 1.00 0.00 C ATOM 892 CG PHE A 58 10.061 -2.863 1.716 1.00 0.00 C ATOM 893 CD1 PHE A 58 10.422 -4.165 1.869 1.00 0.00 C ATOM 894 CD2 PHE A 58 10.993 -1.936 1.366 1.00 0.00 C ATOM 895 CE1 PHE A 58 11.772 -4.557 1.664 1.00 0.00 C ATOM 896 CE2 PHE A 58 12.342 -2.327 1.161 1.00 0.00 C ATOM 897 CZ PHE A 58 12.703 -3.630 1.315 1.00 0.00 C ATOM 0 H PHE A 58 6.696 -1.196 1.172 1.00 0.00 H new ATOM 0 HA PHE A 58 8.081 -3.242 -0.026 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.540 -1.355 1.868 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.310 -2.715 2.949 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.682 -4.901 2.146 1.00 0.00 H new ATOM 0 HD2 PHE A 58 10.706 -0.902 1.244 1.00 0.00 H new ATOM 0 HE1 PHE A 58 12.059 -5.591 1.785 1.00 0.00 H new ATOM 0 HE2 PHE A 58 13.082 -1.591 0.883 1.00 0.00 H new ATOM 0 HZ PHE A 58 13.730 -3.928 1.160 1.00 0.00 H new ATOM 907 N GLU A 59 6.091 -4.337 2.303 1.00 0.00 N ATOM 908 CA GLU A 59 5.526 -5.535 2.900 1.00 0.00 C ATOM 909 C GLU A 59 4.746 -6.333 1.853 1.00 0.00 C ATOM 910 O GLU A 59 4.681 -7.559 1.925 1.00 0.00 O ATOM 911 CB GLU A 59 4.638 -5.185 4.096 1.00 0.00 C ATOM 912 CG GLU A 59 5.415 -5.303 5.409 1.00 0.00 C ATOM 913 CD GLU A 59 5.383 -6.739 5.937 1.00 0.00 C ATOM 914 OE1 GLU A 59 4.324 -7.121 6.480 1.00 0.00 O ATOM 915 OE2 GLU A 59 6.419 -7.422 5.786 1.00 0.00 O ATOM 0 H GLU A 59 5.617 -3.470 2.557 1.00 0.00 H new ATOM 0 HA GLU A 59 6.344 -6.155 3.266 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.256 -4.170 3.985 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.774 -5.850 4.119 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.448 -4.992 5.254 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.987 -4.629 6.151 1.00 0.00 H new ATOM 922 N ILE A 60 4.174 -5.605 0.906 1.00 0.00 N ATOM 923 CA ILE A 60 3.401 -6.229 -0.154 1.00 0.00 C ATOM 924 C ILE A 60 4.312 -7.150 -0.969 1.00 0.00 C ATOM 925 O ILE A 60 3.972 -8.306 -1.217 1.00 0.00 O ATOM 926 CB ILE A 60 2.689 -5.168 -0.995 1.00 0.00 C ATOM 927 CG1 ILE A 60 1.707 -4.361 -0.143 1.00 0.00 C ATOM 928 CG2 ILE A 60 2.008 -5.798 -2.211 1.00 0.00 C ATOM 929 CD1 ILE A 60 0.908 -3.382 -1.005 1.00 0.00 C ATOM 0 H ILE A 60 4.230 -4.588 0.851 1.00 0.00 H new ATOM 0 HA ILE A 60 2.611 -6.851 0.267 1.00 0.00 H new ATOM 0 HB ILE A 60 3.438 -4.471 -1.371 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.025 -5.038 0.371 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.252 -3.813 0.625 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.509 -5.022 -2.792 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.756 -6.292 -2.832 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.273 -6.530 -1.877 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.218 -2.821 -0.374 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.591 -2.691 -1.499 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.345 -3.935 -1.757 1.00 0.00 H new ATOM 941 N ASP A 61 5.453 -6.603 -1.363 1.00 0.00 N ATOM 942 CA ASP A 61 6.415 -7.360 -2.145 1.00 0.00 C ATOM 943 C ASP A 61 7.046 -8.439 -1.263 1.00 0.00 C ATOM 944 O ASP A 61 7.344 -9.536 -1.734 1.00 0.00 O ATOM 945 CB ASP A 61 7.537 -6.457 -2.663 1.00 0.00 C ATOM 946 CG ASP A 61 8.243 -6.962 -3.922 1.00 0.00 C ATOM 947 OD1 ASP A 61 8.005 -8.137 -4.275 1.00 0.00 O ATOM 948 OD2 ASP A 61 9.006 -6.161 -4.505 1.00 0.00 O ATOM 0 H ASP A 61 5.732 -5.644 -1.155 1.00 0.00 H new ATOM 0 HA ASP A 61 5.889 -7.802 -2.991 1.00 0.00 H new ATOM 0 HB2 ASP A 61 7.123 -5.470 -2.868 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.278 -6.334 -1.873 1.00 0.00 H new ATOM 953 N SER A 62 7.232 -8.090 0.002 1.00 0.00 N ATOM 954 CA SER A 62 7.822 -9.015 0.955 1.00 0.00 C ATOM 955 C SER A 62 7.034 -10.327 0.967 1.00 0.00 C ATOM 956 O SER A 62 7.590 -11.391 0.698 1.00 0.00 O ATOM 957 CB SER A 62 7.864 -8.408 2.358 1.00 0.00 C ATOM 958 OG SER A 62 9.126 -8.608 2.989 1.00 0.00 O ATOM 0 H SER A 62 6.984 -7.179 0.389 1.00 0.00 H new ATOM 0 HA SER A 62 8.847 -9.217 0.646 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.654 -7.340 2.297 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.079 -8.853 2.969 1.00 0.00 H new ATOM 0 HG SER A 62 9.113 -8.204 3.882 1.00 0.00 H new ATOM 964 N VAL A 63 5.753 -10.208 1.281 1.00 0.00 N ATOM 965 CA VAL A 63 4.884 -11.371 1.332 1.00 0.00 C ATOM 966 C VAL A 63 5.210 -12.298 0.160 1.00 0.00 C ATOM 967 O VAL A 63 5.015 -11.932 -0.998 1.00 0.00 O ATOM 968 CB VAL A 63 3.419 -10.929 1.355 1.00 0.00 C ATOM 969 CG1 VAL A 63 2.491 -12.085 0.975 1.00 0.00 C ATOM 970 CG2 VAL A 63 3.042 -10.350 2.720 1.00 0.00 C ATOM 0 H VAL A 63 5.296 -9.324 1.503 1.00 0.00 H new ATOM 0 HA VAL A 63 5.054 -11.935 2.249 1.00 0.00 H new ATOM 0 HB VAL A 63 3.295 -10.142 0.611 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.456 -11.744 0.999 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.735 -12.433 -0.029 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.620 -12.903 1.684 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.996 -10.044 2.709 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.190 -11.107 3.490 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.671 -9.486 2.935 1.00 0.00 H new ATOM 980 N ASP A 64 5.701 -13.480 0.501 1.00 0.00 N ATOM 981 CA ASP A 64 6.057 -14.462 -0.509 1.00 0.00 C ATOM 982 C ASP A 64 4.818 -14.806 -1.339 1.00 0.00 C ATOM 983 O ASP A 64 3.697 -14.482 -0.950 1.00 0.00 O ATOM 984 CB ASP A 64 6.568 -15.753 0.133 1.00 0.00 C ATOM 985 CG ASP A 64 7.352 -16.675 -0.803 1.00 0.00 C ATOM 986 OD1 ASP A 64 7.892 -16.147 -1.798 1.00 0.00 O ATOM 987 OD2 ASP A 64 7.393 -17.888 -0.502 1.00 0.00 O ATOM 0 H ASP A 64 5.861 -13.780 1.463 1.00 0.00 H new ATOM 0 HA ASP A 64 6.842 -14.034 -1.133 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.204 -15.493 0.979 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.717 -16.304 0.532 1.00 0.00 H new ATOM 992 N THR A 65 5.062 -15.457 -2.467 1.00 0.00 N ATOM 993 CA THR A 65 3.980 -15.848 -3.354 1.00 0.00 C ATOM 994 C THR A 65 4.192 -17.277 -3.856 1.00 0.00 C ATOM 995 O THR A 65 3.278 -18.099 -3.804 1.00 0.00 O ATOM 996 CB THR A 65 3.895 -14.815 -4.480 1.00 0.00 C ATOM 997 OG1 THR A 65 5.208 -14.797 -5.034 1.00 0.00 O ATOM 998 CG2 THR A 65 3.693 -13.392 -3.955 1.00 0.00 C ATOM 0 H THR A 65 5.993 -15.723 -2.787 1.00 0.00 H new ATOM 0 HA THR A 65 3.024 -15.859 -2.830 1.00 0.00 H new ATOM 0 HB THR A 65 3.075 -15.075 -5.150 1.00 0.00 H new ATOM 0 HG1 THR A 65 5.242 -14.154 -5.773 1.00 0.00 H new ATOM 0 HG21 THR A 65 3.639 -12.699 -4.794 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.766 -13.343 -3.384 1.00 0.00 H new ATOM 0 HG23 THR A 65 4.530 -13.119 -3.312 1.00 0.00 H new ATOM 1006 N GLU A 66 5.403 -17.531 -4.331 1.00 0.00 N ATOM 1007 CA GLU A 66 5.746 -18.847 -4.842 1.00 0.00 C ATOM 1008 C GLU A 66 5.031 -19.104 -6.170 1.00 0.00 C ATOM 1009 O GLU A 66 4.499 -20.190 -6.393 1.00 0.00 O ATOM 1010 CB GLU A 66 5.413 -19.935 -3.820 1.00 0.00 C ATOM 1011 CG GLU A 66 6.577 -20.916 -3.664 1.00 0.00 C ATOM 1012 CD GLU A 66 6.070 -22.326 -3.357 1.00 0.00 C ATOM 1013 OE1 GLU A 66 5.241 -22.441 -2.428 1.00 0.00 O ATOM 1014 OE2 GLU A 66 6.522 -23.257 -4.058 1.00 0.00 O ATOM 0 H GLU A 66 6.159 -16.847 -4.373 1.00 0.00 H new ATOM 0 HA GLU A 66 6.821 -18.878 -5.019 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.187 -19.477 -2.857 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.519 -20.473 -4.135 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.170 -20.930 -4.579 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.235 -20.580 -2.863 1.00 0.00 H new ATOM 1021 N GLY A 67 5.042 -18.086 -7.018 1.00 0.00 N ATOM 1022 CA GLY A 67 4.401 -18.188 -8.318 1.00 0.00 C ATOM 1023 C GLY A 67 3.097 -18.983 -8.226 1.00 0.00 C ATOM 1024 O GLY A 67 2.978 -20.057 -8.814 1.00 0.00 O ATOM 0 H GLY A 67 5.485 -17.186 -6.830 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.196 -17.190 -8.706 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.077 -18.671 -9.024 1.00 0.00 H new ATOM 1028 N LYS A 68 2.153 -18.425 -7.483 1.00 0.00 N ATOM 1029 CA LYS A 68 0.862 -19.068 -7.306 1.00 0.00 C ATOM 1030 C LYS A 68 -0.210 -18.261 -8.040 1.00 0.00 C ATOM 1031 O LYS A 68 -1.277 -18.784 -8.360 1.00 0.00 O ATOM 1032 CB LYS A 68 0.566 -19.275 -5.820 1.00 0.00 C ATOM 1033 CG LYS A 68 1.475 -20.352 -5.224 1.00 0.00 C ATOM 1034 CD LYS A 68 0.987 -20.777 -3.838 1.00 0.00 C ATOM 1035 CE LYS A 68 1.963 -21.761 -3.191 1.00 0.00 C ATOM 1036 NZ LYS A 68 1.490 -23.152 -3.369 1.00 0.00 N ATOM 0 H LYS A 68 2.256 -17.535 -6.996 1.00 0.00 H new ATOM 0 HA LYS A 68 0.869 -20.064 -7.748 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.708 -18.337 -5.283 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.477 -19.562 -5.690 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.501 -21.218 -5.886 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.495 -19.974 -5.154 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.876 -19.898 -3.202 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.002 -21.237 -3.921 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.952 -21.647 -3.635 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.063 -21.538 -2.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.164 -23.807 -2.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.556 -23.261 -2.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.417 -23.367 -4.384 1.00 0.00 H new ATOM 1050 N GLY A 69 0.109 -16.999 -8.286 1.00 0.00 N ATOM 1051 CA GLY A 69 -0.813 -16.114 -8.977 1.00 0.00 C ATOM 1052 C GLY A 69 -1.881 -15.579 -8.020 1.00 0.00 C ATOM 1053 O GLY A 69 -1.909 -14.387 -7.719 1.00 0.00 O ATOM 0 H GLY A 69 0.994 -16.568 -8.019 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -0.263 -15.282 -9.416 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.290 -16.649 -9.798 1.00 0.00 H new ATOM 1057 N ASP A 70 -2.732 -16.488 -7.567 1.00 0.00 N ATOM 1058 CA ASP A 70 -3.799 -16.123 -6.650 1.00 0.00 C ATOM 1059 C ASP A 70 -3.272 -15.094 -5.646 1.00 0.00 C ATOM 1060 O ASP A 70 -3.998 -14.185 -5.246 1.00 0.00 O ATOM 1061 CB ASP A 70 -4.291 -17.340 -5.865 1.00 0.00 C ATOM 1062 CG ASP A 70 -4.619 -18.568 -6.716 1.00 0.00 C ATOM 1063 OD1 ASP A 70 -5.375 -18.394 -7.696 1.00 0.00 O ATOM 1064 OD2 ASP A 70 -4.107 -19.654 -6.367 1.00 0.00 O ATOM 0 H ASP A 70 -2.704 -17.476 -7.818 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.623 -15.715 -7.236 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.529 -17.615 -5.135 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.182 -17.056 -5.305 1.00 0.00 H new ATOM 1069 N ILE A 71 -2.015 -15.272 -5.269 1.00 0.00 N ATOM 1070 CA ILE A 71 -1.383 -14.371 -4.320 1.00 0.00 C ATOM 1071 C ILE A 71 -0.661 -13.259 -5.083 1.00 0.00 C ATOM 1072 O ILE A 71 -0.883 -12.078 -4.823 1.00 0.00 O ATOM 1073 CB ILE A 71 -0.478 -15.150 -3.364 1.00 0.00 C ATOM 1074 CG1 ILE A 71 -1.295 -16.096 -2.482 1.00 0.00 C ATOM 1075 CG2 ILE A 71 0.389 -14.200 -2.535 1.00 0.00 C ATOM 1076 CD1 ILE A 71 -0.381 -16.998 -1.651 1.00 0.00 C ATOM 0 H ILE A 71 -1.416 -16.027 -5.604 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.133 -13.891 -3.691 1.00 0.00 H new ATOM 0 HB ILE A 71 0.196 -15.767 -3.959 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.939 -15.517 -1.820 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.947 -16.708 -3.105 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.023 -14.779 -1.863 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.014 -13.604 -3.200 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.251 -13.540 -1.950 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.987 -17.660 -1.033 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.245 -17.594 -2.316 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.252 -16.384 -1.011 1.00 0.00 H new ATOM 1088 N GLN A 72 0.189 -13.676 -6.010 1.00 0.00 N ATOM 1089 CA GLN A 72 0.946 -12.730 -6.812 1.00 0.00 C ATOM 1090 C GLN A 72 0.022 -11.638 -7.356 1.00 0.00 C ATOM 1091 O GLN A 72 0.332 -10.452 -7.257 1.00 0.00 O ATOM 1092 CB GLN A 72 1.683 -13.441 -7.948 1.00 0.00 C ATOM 1093 CG GLN A 72 3.179 -13.119 -7.917 1.00 0.00 C ATOM 1094 CD GLN A 72 3.570 -12.217 -9.089 1.00 0.00 C ATOM 1095 OE1 GLN A 72 2.751 -11.824 -9.904 1.00 0.00 O ATOM 1096 NE2 GLN A 72 4.863 -11.911 -9.128 1.00 0.00 N ATOM 0 H GLN A 72 0.370 -14.657 -6.224 1.00 0.00 H new ATOM 0 HA GLN A 72 1.696 -12.261 -6.175 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.537 -14.518 -7.863 1.00 0.00 H new ATOM 0 HB3 GLN A 72 1.262 -13.137 -8.906 1.00 0.00 H new ATOM 0 HG2 GLN A 72 3.430 -12.628 -6.976 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.755 -14.044 -7.957 1.00 0.00 H new ATOM 0 HE21 GLN A 72 5.495 -12.274 -8.414 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.223 -11.313 -9.872 1.00 0.00 H new ATOM 1105 N GLN A 73 -1.094 -12.078 -7.919 1.00 0.00 N ATOM 1106 CA GLN A 73 -2.064 -11.153 -8.478 1.00 0.00 C ATOM 1107 C GLN A 73 -2.466 -10.108 -7.435 1.00 0.00 C ATOM 1108 O GLN A 73 -2.396 -8.908 -7.694 1.00 0.00 O ATOM 1109 CB GLN A 73 -3.291 -11.899 -9.008 1.00 0.00 C ATOM 1110 CG GLN A 73 -3.465 -11.671 -10.511 1.00 0.00 C ATOM 1111 CD GLN A 73 -4.929 -11.391 -10.857 1.00 0.00 C ATOM 1112 OE1 GLN A 73 -5.310 -10.286 -11.209 1.00 0.00 O ATOM 1113 NE2 GLN A 73 -5.725 -12.450 -10.738 1.00 0.00 N ATOM 0 H GLN A 73 -1.348 -13.063 -8.000 1.00 0.00 H new ATOM 0 HA GLN A 73 -1.601 -10.637 -9.319 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.187 -12.965 -8.808 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -4.183 -11.561 -8.480 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -2.846 -10.833 -10.829 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -3.120 -12.548 -11.058 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -5.340 -13.346 -10.438 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -6.720 -12.366 -10.946 1.00 0.00 H new ATOM 1122 N ALA A 74 -2.877 -10.604 -6.277 1.00 0.00 N ATOM 1123 CA ALA A 74 -3.290 -9.728 -5.193 1.00 0.00 C ATOM 1124 C ALA A 74 -2.195 -8.691 -4.936 1.00 0.00 C ATOM 1125 O ALA A 74 -2.453 -7.489 -4.976 1.00 0.00 O ATOM 1126 CB ALA A 74 -3.603 -10.566 -3.951 1.00 0.00 C ATOM 0 H ALA A 74 -2.933 -11.600 -6.066 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.199 -9.188 -5.460 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.913 -9.910 -3.138 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.407 -11.267 -4.178 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.713 -11.119 -3.652 1.00 0.00 H new ATOM 1132 N ARG A 75 -0.997 -9.194 -4.678 1.00 0.00 N ATOM 1133 CA ARG A 75 0.138 -8.326 -4.414 1.00 0.00 C ATOM 1134 C ARG A 75 0.240 -7.243 -5.491 1.00 0.00 C ATOM 1135 O ARG A 75 -0.067 -6.079 -5.237 1.00 0.00 O ATOM 1136 CB ARG A 75 1.444 -9.122 -4.377 1.00 0.00 C ATOM 1137 CG ARG A 75 2.178 -8.909 -3.052 1.00 0.00 C ATOM 1138 CD ARG A 75 2.385 -10.237 -2.320 1.00 0.00 C ATOM 1139 NE ARG A 75 1.404 -10.367 -1.220 1.00 0.00 N ATOM 1140 CZ ARG A 75 0.216 -10.976 -1.341 1.00 0.00 C ATOM 1141 NH1 ARG A 75 -0.144 -11.514 -2.513 1.00 0.00 N ATOM 1142 NH2 ARG A 75 -0.611 -11.046 -0.289 1.00 0.00 N ATOM 0 H ARG A 75 -0.787 -10.192 -4.646 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.019 -7.862 -3.440 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.232 -10.182 -4.513 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.084 -8.816 -5.205 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.143 -8.438 -3.238 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.607 -8.227 -2.421 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.274 -11.067 -3.017 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.399 -10.288 -1.922 1.00 0.00 H new ATOM 0 HE ARG A 75 1.647 -9.968 -0.313 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.486 -11.460 -3.314 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.048 -11.977 -2.605 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.337 -10.636 0.604 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.515 -11.509 -0.381 1.00 0.00 H new ATOM 1156 N LYS A 76 0.670 -7.665 -6.670 1.00 0.00 N ATOM 1157 CA LYS A 76 0.816 -6.747 -7.786 1.00 0.00 C ATOM 1158 C LYS A 76 -0.356 -5.764 -7.789 1.00 0.00 C ATOM 1159 O LYS A 76 -0.180 -4.582 -8.081 1.00 0.00 O ATOM 1160 CB LYS A 76 0.974 -7.518 -9.098 1.00 0.00 C ATOM 1161 CG LYS A 76 -0.319 -8.249 -9.464 1.00 0.00 C ATOM 1162 CD LYS A 76 -0.256 -8.794 -10.892 1.00 0.00 C ATOM 1163 CE LYS A 76 -0.691 -7.732 -11.904 1.00 0.00 C ATOM 1164 NZ LYS A 76 -0.670 -8.284 -13.277 1.00 0.00 N ATOM 0 H LYS A 76 0.922 -8.631 -6.877 1.00 0.00 H new ATOM 0 HA LYS A 76 1.727 -6.158 -7.677 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.245 -6.829 -9.898 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.788 -8.236 -9.006 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.488 -9.069 -8.765 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.165 -7.569 -9.368 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.760 -9.120 -11.116 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.899 -9.670 -10.979 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.694 -7.381 -11.662 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.028 -6.869 -11.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.968 -7.550 -13.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.294 -8.598 -13.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.321 -9.093 -13.336 1.00 0.00 H new ATOM 1178 N ARG A 77 -1.528 -6.288 -7.459 1.00 0.00 N ATOM 1179 CA ARG A 77 -2.729 -5.472 -7.419 1.00 0.00 C ATOM 1180 C ARG A 77 -2.658 -4.481 -6.256 1.00 0.00 C ATOM 1181 O ARG A 77 -2.924 -3.292 -6.431 1.00 0.00 O ATOM 1182 CB ARG A 77 -3.980 -6.339 -7.267 1.00 0.00 C ATOM 1183 CG ARG A 77 -4.579 -6.683 -8.632 1.00 0.00 C ATOM 1184 CD ARG A 77 -6.009 -6.153 -8.752 1.00 0.00 C ATOM 1185 NE ARG A 77 -6.376 -6.006 -10.178 1.00 0.00 N ATOM 1186 CZ ARG A 77 -7.565 -5.558 -10.605 1.00 0.00 C ATOM 1187 NH1 ARG A 77 -8.508 -5.210 -9.719 1.00 0.00 N ATOM 1188 NH2 ARG A 77 -7.810 -5.457 -11.919 1.00 0.00 N ATOM 0 H ARG A 77 -1.671 -7.268 -7.217 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.792 -4.928 -8.361 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.728 -7.256 -6.735 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.720 -5.813 -6.663 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -3.962 -6.256 -9.422 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.575 -7.764 -8.773 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.701 -6.835 -8.258 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.093 -5.192 -8.245 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.681 -6.261 -10.880 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -8.321 -5.286 -8.719 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -9.413 -4.869 -10.044 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.092 -5.721 -12.593 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -8.715 -5.116 -12.244 1.00 0.00 H new ATOM 1202 N ALA A 78 -2.299 -5.006 -5.094 1.00 0.00 N ATOM 1203 CA ALA A 78 -2.191 -4.182 -3.902 1.00 0.00 C ATOM 1204 C ALA A 78 -1.043 -3.186 -4.078 1.00 0.00 C ATOM 1205 O ALA A 78 -1.204 -1.995 -3.817 1.00 0.00 O ATOM 1206 CB ALA A 78 -2.002 -5.079 -2.677 1.00 0.00 C ATOM 0 H ALA A 78 -2.079 -5.992 -4.952 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.105 -3.608 -3.748 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.921 -4.461 -1.783 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.858 -5.747 -2.580 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.093 -5.668 -2.794 1.00 0.00 H new ATOM 1212 N ALA A 79 0.091 -3.711 -4.520 1.00 0.00 N ATOM 1213 CA ALA A 79 1.266 -2.883 -4.734 1.00 0.00 C ATOM 1214 C ALA A 79 0.845 -1.571 -5.397 1.00 0.00 C ATOM 1215 O ALA A 79 1.162 -0.491 -4.901 1.00 0.00 O ATOM 1216 CB ALA A 79 2.290 -3.656 -5.567 1.00 0.00 C ATOM 0 H ALA A 79 0.221 -4.699 -4.736 1.00 0.00 H new ATOM 0 HA ALA A 79 1.740 -2.635 -3.784 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.171 -3.035 -5.728 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.578 -4.565 -5.038 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.852 -3.920 -6.529 1.00 0.00 H new ATOM 1222 N GLN A 80 0.138 -1.707 -6.509 1.00 0.00 N ATOM 1223 CA GLN A 80 -0.330 -0.545 -7.246 1.00 0.00 C ATOM 1224 C GLN A 80 -1.119 0.386 -6.324 1.00 0.00 C ATOM 1225 O GLN A 80 -0.871 1.590 -6.291 1.00 0.00 O ATOM 1226 CB GLN A 80 -1.171 -0.963 -8.453 1.00 0.00 C ATOM 1227 CG GLN A 80 -0.297 -1.595 -9.539 1.00 0.00 C ATOM 1228 CD GLN A 80 -1.119 -1.909 -10.791 1.00 0.00 C ATOM 1229 OE1 GLN A 80 -1.802 -1.063 -11.345 1.00 0.00 O ATOM 1230 NE2 GLN A 80 -1.015 -3.169 -11.204 1.00 0.00 N ATOM 0 H GLN A 80 -0.122 -2.604 -6.918 1.00 0.00 H new ATOM 0 HA GLN A 80 0.538 -0.003 -7.620 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.937 -1.672 -8.139 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -1.689 -0.094 -8.858 1.00 0.00 H new ATOM 0 HG2 GLN A 80 0.518 -0.918 -9.795 1.00 0.00 H new ATOM 0 HG3 GLN A 80 0.157 -2.510 -9.159 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -0.425 -3.826 -10.693 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -1.525 -3.478 -12.031 1.00 0.00 H new ATOM 1239 N GLU A 81 -2.055 -0.207 -5.597 1.00 0.00 N ATOM 1240 CA GLU A 81 -2.882 0.554 -4.676 1.00 0.00 C ATOM 1241 C GLU A 81 -2.011 1.461 -3.805 1.00 0.00 C ATOM 1242 O GLU A 81 -2.142 2.683 -3.849 1.00 0.00 O ATOM 1243 CB GLU A 81 -3.741 -0.374 -3.815 1.00 0.00 C ATOM 1244 CG GLU A 81 -5.182 0.134 -3.730 1.00 0.00 C ATOM 1245 CD GLU A 81 -5.717 0.028 -2.301 1.00 0.00 C ATOM 1246 OE1 GLU A 81 -5.420 0.951 -1.513 1.00 0.00 O ATOM 1247 OE2 GLU A 81 -6.412 -0.975 -2.029 1.00 0.00 O ATOM 0 H GLU A 81 -2.259 -1.206 -5.627 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.556 1.182 -5.258 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.730 -1.379 -4.236 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.316 -0.443 -2.813 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.226 1.171 -4.063 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.815 -0.444 -4.403 1.00 0.00 H new ATOM 1254 N THR A 82 -1.140 0.827 -3.033 1.00 0.00 N ATOM 1255 CA THR A 82 -0.247 1.561 -2.153 1.00 0.00 C ATOM 1256 C THR A 82 0.366 2.754 -2.889 1.00 0.00 C ATOM 1257 O THR A 82 0.170 3.901 -2.492 1.00 0.00 O ATOM 1258 CB THR A 82 0.794 0.580 -1.611 1.00 0.00 C ATOM 1259 OG1 THR A 82 0.018 -0.462 -1.026 1.00 0.00 O ATOM 1260 CG2 THR A 82 1.587 1.157 -0.436 1.00 0.00 C ATOM 0 H THR A 82 -1.034 -0.187 -2.999 1.00 0.00 H new ATOM 0 HA THR A 82 -0.786 1.985 -1.306 1.00 0.00 H new ATOM 0 HB THR A 82 1.480 0.301 -2.411 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.828 -0.094 -0.696 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.312 0.420 -0.089 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.110 2.058 -0.757 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.904 1.405 0.377 1.00 0.00 H new ATOM 1268 N GLU A 83 1.097 2.441 -3.949 1.00 0.00 N ATOM 1269 CA GLU A 83 1.741 3.472 -4.745 1.00 0.00 C ATOM 1270 C GLU A 83 0.742 4.579 -5.087 1.00 0.00 C ATOM 1271 O GLU A 83 1.026 5.760 -4.889 1.00 0.00 O ATOM 1272 CB GLU A 83 2.360 2.880 -6.013 1.00 0.00 C ATOM 1273 CG GLU A 83 3.244 1.677 -5.681 1.00 0.00 C ATOM 1274 CD GLU A 83 4.679 1.901 -6.164 1.00 0.00 C ATOM 1275 OE1 GLU A 83 4.884 1.815 -7.394 1.00 0.00 O ATOM 1276 OE2 GLU A 83 5.538 2.154 -5.292 1.00 0.00 O ATOM 0 H GLU A 83 1.258 1.488 -4.275 1.00 0.00 H new ATOM 0 HA GLU A 83 2.548 3.907 -4.156 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.570 2.577 -6.700 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.951 3.641 -6.523 1.00 0.00 H new ATOM 0 HG2 GLU A 83 3.241 1.505 -4.605 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.835 0.781 -6.148 1.00 0.00 H new ATOM 1283 N ARG A 84 -0.407 4.159 -5.596 1.00 0.00 N ATOM 1284 CA ARG A 84 -1.450 5.100 -5.968 1.00 0.00 C ATOM 1285 C ARG A 84 -1.535 6.231 -4.941 1.00 0.00 C ATOM 1286 O ARG A 84 -1.500 7.406 -5.301 1.00 0.00 O ATOM 1287 CB ARG A 84 -2.809 4.406 -6.066 1.00 0.00 C ATOM 1288 CG ARG A 84 -3.475 4.692 -7.414 1.00 0.00 C ATOM 1289 CD ARG A 84 -3.564 3.422 -8.263 1.00 0.00 C ATOM 1290 NE ARG A 84 -4.058 3.753 -9.618 1.00 0.00 N ATOM 1291 CZ ARG A 84 -4.351 2.840 -10.554 1.00 0.00 C ATOM 1292 NH1 ARG A 84 -4.202 1.536 -10.288 1.00 0.00 N ATOM 1293 NH2 ARG A 84 -4.794 3.232 -11.756 1.00 0.00 N ATOM 0 H ARG A 84 -0.639 3.179 -5.760 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.194 5.510 -6.945 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.682 3.331 -5.940 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -3.455 4.748 -5.257 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -4.474 5.096 -7.251 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.907 5.453 -7.950 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.584 2.950 -8.330 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -4.233 2.704 -7.789 1.00 0.00 H new ATOM 0 HE ARG A 84 -4.183 4.737 -9.854 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -3.865 1.237 -9.373 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -4.425 0.841 -11.001 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.908 4.225 -11.958 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -5.017 2.537 -12.469 1.00 0.00 H new ATOM 1307 N LEU A 85 -1.646 5.835 -3.681 1.00 0.00 N ATOM 1308 CA LEU A 85 -1.737 6.801 -2.599 1.00 0.00 C ATOM 1309 C LEU A 85 -0.439 7.608 -2.530 1.00 0.00 C ATOM 1310 O LEU A 85 -0.464 8.836 -2.583 1.00 0.00 O ATOM 1311 CB LEU A 85 -2.097 6.102 -1.286 1.00 0.00 C ATOM 1312 CG LEU A 85 -3.526 6.316 -0.782 1.00 0.00 C ATOM 1313 CD1 LEU A 85 -3.787 7.794 -0.484 1.00 0.00 C ATOM 1314 CD2 LEU A 85 -4.546 5.741 -1.766 1.00 0.00 C ATOM 0 H LEU A 85 -1.675 4.859 -3.386 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.543 7.510 -2.788 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.933 5.032 -1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.406 6.443 -0.515 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.642 5.773 0.156 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.810 7.918 -0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.092 8.139 0.281 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.646 8.379 -1.393 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.553 5.906 -1.384 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.439 6.235 -2.732 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.374 4.671 -1.885 1.00 0.00 H new ATOM 1326 N LEU A 86 0.664 6.884 -2.413 1.00 0.00 N ATOM 1327 CA LEU A 86 1.970 7.517 -2.337 1.00 0.00 C ATOM 1328 C LEU A 86 2.022 8.688 -3.320 1.00 0.00 C ATOM 1329 O LEU A 86 2.426 9.791 -2.955 1.00 0.00 O ATOM 1330 CB LEU A 86 3.079 6.485 -2.551 1.00 0.00 C ATOM 1331 CG LEU A 86 4.114 6.370 -1.429 1.00 0.00 C ATOM 1332 CD1 LEU A 86 5.133 5.270 -1.734 1.00 0.00 C ATOM 1333 CD2 LEU A 86 4.788 7.718 -1.165 1.00 0.00 C ATOM 0 H LEU A 86 0.681 5.865 -2.369 1.00 0.00 H new ATOM 0 HA LEU A 86 2.137 7.928 -1.341 1.00 0.00 H new ATOM 0 HB2 LEU A 86 2.617 5.508 -2.693 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.601 6.728 -3.476 1.00 0.00 H new ATOM 0 HG LEU A 86 3.596 6.084 -0.514 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.857 5.209 -0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.618 4.314 -1.834 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.651 5.502 -2.665 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.519 7.609 -0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.291 8.057 -2.071 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.035 8.450 -0.872 1.00 0.00 H new ATOM 1345 N LYS A 87 1.608 8.408 -4.547 1.00 0.00 N ATOM 1346 CA LYS A 87 1.603 9.425 -5.585 1.00 0.00 C ATOM 1347 C LYS A 87 0.907 10.682 -5.058 1.00 0.00 C ATOM 1348 O LYS A 87 1.516 11.748 -4.983 1.00 0.00 O ATOM 1349 CB LYS A 87 0.986 8.874 -6.871 1.00 0.00 C ATOM 1350 CG LYS A 87 2.019 8.091 -7.684 1.00 0.00 C ATOM 1351 CD LYS A 87 2.717 8.996 -8.701 1.00 0.00 C ATOM 1352 CE LYS A 87 2.175 8.756 -10.111 1.00 0.00 C ATOM 1353 NZ LYS A 87 3.263 8.324 -11.018 1.00 0.00 N ATOM 0 H LYS A 87 1.274 7.492 -4.846 1.00 0.00 H new ATOM 0 HA LYS A 87 2.623 9.710 -5.845 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.144 8.226 -6.626 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.593 9.695 -7.471 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.759 7.653 -7.014 1.00 0.00 H new ATOM 0 HG3 LYS A 87 1.530 7.266 -8.202 1.00 0.00 H new ATOM 0 HD2 LYS A 87 2.571 10.040 -8.424 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.791 8.809 -8.683 1.00 0.00 H new ATOM 0 HE2 LYS A 87 1.394 7.996 -10.082 1.00 0.00 H new ATOM 0 HE3 LYS A 87 1.717 9.669 -10.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.878 8.165 -11.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.995 9.062 -11.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 3.681 7.441 -10.662 1.00 0.00 H new ATOM 1367 N GLU A 88 -0.359 10.515 -4.706 1.00 0.00 N ATOM 1368 CA GLU A 88 -1.145 11.622 -4.189 1.00 0.00 C ATOM 1369 C GLU A 88 -0.355 12.379 -3.118 1.00 0.00 C ATOM 1370 O GLU A 88 -0.200 13.596 -3.201 1.00 0.00 O ATOM 1371 CB GLU A 88 -2.486 11.133 -3.637 1.00 0.00 C ATOM 1372 CG GLU A 88 -3.498 10.923 -4.765 1.00 0.00 C ATOM 1373 CD GLU A 88 -4.471 12.100 -4.855 1.00 0.00 C ATOM 1374 OE1 GLU A 88 -5.195 12.315 -3.859 1.00 0.00 O ATOM 1375 OE2 GLU A 88 -4.470 12.758 -5.918 1.00 0.00 O ATOM 0 H GLU A 88 -0.860 9.629 -4.769 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.356 12.307 -5.010 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.341 10.199 -3.094 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.876 11.859 -2.924 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.973 10.808 -5.713 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.053 10.000 -4.594 1.00 0.00 H new ATOM 1382 N LEU A 89 0.123 11.626 -2.139 1.00 0.00 N ATOM 1383 CA LEU A 89 0.893 12.210 -1.053 1.00 0.00 C ATOM 1384 C LEU A 89 1.849 13.261 -1.620 1.00 0.00 C ATOM 1385 O LEU A 89 1.769 14.435 -1.261 1.00 0.00 O ATOM 1386 CB LEU A 89 1.593 11.116 -0.244 1.00 0.00 C ATOM 1387 CG LEU A 89 2.364 11.586 0.991 1.00 0.00 C ATOM 1388 CD1 LEU A 89 1.440 12.305 1.975 1.00 0.00 C ATOM 1389 CD2 LEU A 89 3.107 10.421 1.649 1.00 0.00 C ATOM 0 H LEU A 89 -0.008 10.616 -2.074 1.00 0.00 H new ATOM 0 HA LEU A 89 0.234 12.722 -0.351 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.844 10.391 0.074 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.285 10.591 -0.902 1.00 0.00 H new ATOM 0 HG LEU A 89 3.115 12.308 0.670 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.014 12.628 2.843 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.997 13.174 1.489 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.650 11.626 2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.647 10.782 2.524 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.391 9.658 1.954 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.813 9.992 0.938 1.00 0.00 H new ATOM 1401 N GLU A 90 2.730 12.803 -2.496 1.00 0.00 N ATOM 1402 CA GLU A 90 3.700 13.690 -3.116 1.00 0.00 C ATOM 1403 C GLU A 90 3.032 15.004 -3.525 1.00 0.00 C ATOM 1404 O GLU A 90 3.427 16.074 -3.065 1.00 0.00 O ATOM 1405 CB GLU A 90 4.368 13.017 -4.318 1.00 0.00 C ATOM 1406 CG GLU A 90 5.218 11.824 -3.876 1.00 0.00 C ATOM 1407 CD GLU A 90 5.229 10.732 -4.947 1.00 0.00 C ATOM 1408 OE1 GLU A 90 5.797 11.003 -6.027 1.00 0.00 O ATOM 1409 OE2 GLU A 90 4.670 9.651 -4.661 1.00 0.00 O ATOM 0 H GLU A 90 2.793 11.829 -2.792 1.00 0.00 H new ATOM 0 HA GLU A 90 4.479 13.913 -2.386 1.00 0.00 H new ATOM 0 HB2 GLU A 90 3.606 12.684 -5.023 1.00 0.00 H new ATOM 0 HB3 GLU A 90 4.993 13.739 -4.843 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.238 12.153 -3.677 1.00 0.00 H new ATOM 0 HG3 GLU A 90 4.826 11.419 -2.943 1.00 0.00 H new ATOM 1416 N GLN A 91 2.032 14.880 -4.385 1.00 0.00 N ATOM 1417 CA GLN A 91 1.305 16.045 -4.861 1.00 0.00 C ATOM 1418 C GLN A 91 0.647 16.775 -3.688 1.00 0.00 C ATOM 1419 O GLN A 91 0.997 17.916 -3.388 1.00 0.00 O ATOM 1420 CB GLN A 91 0.268 15.652 -5.914 1.00 0.00 C ATOM 1421 CG GLN A 91 0.615 16.254 -7.277 1.00 0.00 C ATOM 1422 CD GLN A 91 0.387 17.767 -7.283 1.00 0.00 C ATOM 1423 OE1 GLN A 91 -0.524 18.285 -6.658 1.00 0.00 O ATOM 1424 NE2 GLN A 91 1.262 18.443 -8.020 1.00 0.00 N ATOM 0 H GLN A 91 1.708 13.991 -4.765 1.00 0.00 H new ATOM 0 HA GLN A 91 2.015 16.724 -5.334 1.00 0.00 H new ATOM 0 HB2 GLN A 91 0.219 14.566 -5.994 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -0.719 15.993 -5.602 1.00 0.00 H new ATOM 0 HG2 GLN A 91 1.656 16.039 -7.519 1.00 0.00 H new ATOM 0 HG3 GLN A 91 0.005 15.788 -8.050 1.00 0.00 H new ATOM 0 HE21 GLN A 91 2.001 17.946 -8.518 1.00 0.00 H new ATOM 0 HE22 GLN A 91 1.195 19.459 -8.088 1.00 0.00 H new ATOM 1433 N ASN A 92 -0.295 16.088 -3.058 1.00 0.00 N ATOM 1434 CA ASN A 92 -1.005 16.658 -1.926 1.00 0.00 C ATOM 1435 C ASN A 92 -0.021 17.438 -1.052 1.00 0.00 C ATOM 1436 O ASN A 92 -0.394 18.424 -0.419 1.00 0.00 O ATOM 1437 CB ASN A 92 -1.636 15.562 -1.064 1.00 0.00 C ATOM 1438 CG ASN A 92 -3.135 15.438 -1.346 1.00 0.00 C ATOM 1439 OD1 ASN A 92 -3.937 16.270 -0.955 1.00 0.00 O ATOM 1440 ND2 ASN A 92 -3.466 14.356 -2.045 1.00 0.00 N ATOM 0 H ASN A 92 -0.583 15.142 -3.310 1.00 0.00 H new ATOM 0 HA ASN A 92 -1.788 17.310 -2.313 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.145 14.610 -1.263 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.478 15.788 -0.009 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -4.442 14.183 -2.285 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -2.744 13.699 -2.341 1.00 0.00 H new ATOM 1447 N ALA A 93 1.218 16.967 -1.045 1.00 0.00 N ATOM 1448 CA ALA A 93 2.258 17.608 -0.259 1.00 0.00 C ATOM 1449 C ALA A 93 2.286 19.103 -0.581 1.00 0.00 C ATOM 1450 O ALA A 93 1.872 19.925 0.234 1.00 0.00 O ATOM 1451 CB ALA A 93 3.600 16.927 -0.536 1.00 0.00 C ATOM 0 H ALA A 93 1.524 16.149 -1.571 1.00 0.00 H new ATOM 0 HA ALA A 93 2.053 17.504 0.806 1.00 0.00 H new ATOM 0 HB1 ALA A 93 4.381 17.408 0.054 1.00 0.00 H new ATOM 0 HB2 ALA A 93 3.536 15.873 -0.264 1.00 0.00 H new ATOM 0 HB3 ALA A 93 3.840 17.014 -1.596 1.00 0.00 H new ATOM 1457 N SER A 94 2.778 19.410 -1.773 1.00 0.00 N ATOM 1458 CA SER A 94 2.865 20.792 -2.213 1.00 0.00 C ATOM 1459 C SER A 94 3.471 20.857 -3.616 1.00 0.00 C ATOM 1460 O SER A 94 3.067 21.684 -4.433 1.00 0.00 O ATOM 1461 CB SER A 94 3.695 21.630 -1.237 1.00 0.00 C ATOM 1462 OG SER A 94 3.276 22.991 -1.212 1.00 0.00 O ATOM 0 H SER A 94 3.120 18.725 -2.447 1.00 0.00 H new ATOM 0 HA SER A 94 1.857 21.206 -2.240 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.613 21.207 -0.236 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.747 21.580 -1.519 1.00 0.00 H new ATOM 0 HG SER A 94 3.829 23.492 -0.576 1.00 0.00 H new ATOM 1468 N GLY A 95 4.430 19.975 -3.854 1.00 0.00 N ATOM 1469 CA GLY A 95 5.095 19.921 -5.144 1.00 0.00 C ATOM 1470 C GLY A 95 6.347 19.044 -5.080 1.00 0.00 C ATOM 1471 O GLY A 95 6.726 18.574 -4.009 1.00 0.00 O ATOM 0 H GLY A 95 4.763 19.291 -3.174 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.409 19.528 -5.894 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.368 20.928 -5.459 1.00 0.00 H new ATOM 1475 N PRO A 96 6.971 18.844 -6.272 1.00 0.00 N ATOM 1476 CA PRO A 96 8.172 18.032 -6.362 1.00 0.00 C ATOM 1477 C PRO A 96 9.385 18.785 -5.813 1.00 0.00 C ATOM 1478 O PRO A 96 9.346 20.004 -5.659 1.00 0.00 O ATOM 1479 CB PRO A 96 8.304 17.686 -7.836 1.00 0.00 C ATOM 1480 CG PRO A 96 7.443 18.694 -8.580 1.00 0.00 C ATOM 1481 CD PRO A 96 6.551 19.385 -7.562 1.00 0.00 C ATOM 0 HA PRO A 96 8.114 17.126 -5.758 1.00 0.00 H new ATOM 0 HB2 PRO A 96 9.343 17.746 -8.160 1.00 0.00 H new ATOM 0 HB3 PRO A 96 7.968 16.667 -8.030 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.068 19.422 -9.097 1.00 0.00 H new ATOM 0 HG3 PRO A 96 6.841 18.195 -9.339 1.00 0.00 H new ATOM 0 HD2 PRO A 96 6.675 20.467 -7.597 1.00 0.00 H new ATOM 0 HD3 PRO A 96 5.498 19.179 -7.754 1.00 0.00 H new ATOM 1489 N SER A 97 10.436 18.026 -5.534 1.00 0.00 N ATOM 1490 CA SER A 97 11.659 18.607 -5.006 1.00 0.00 C ATOM 1491 C SER A 97 12.874 17.968 -5.681 1.00 0.00 C ATOM 1492 O SER A 97 12.792 16.850 -6.187 1.00 0.00 O ATOM 1493 CB SER A 97 11.741 18.432 -3.489 1.00 0.00 C ATOM 1494 OG SER A 97 12.721 19.287 -2.905 1.00 0.00 O ATOM 0 H SER A 97 10.465 17.015 -5.664 1.00 0.00 H new ATOM 0 HA SER A 97 11.652 19.676 -5.221 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.767 18.642 -3.047 1.00 0.00 H new ATOM 0 HB3 SER A 97 11.980 17.394 -3.256 1.00 0.00 H new ATOM 0 HG SER A 97 12.742 19.147 -1.935 1.00 0.00 H new ATOM 1500 N SER A 98 13.975 18.707 -5.666 1.00 0.00 N ATOM 1501 CA SER A 98 15.206 18.226 -6.270 1.00 0.00 C ATOM 1502 C SER A 98 16.410 18.719 -5.466 1.00 0.00 C ATOM 1503 O SER A 98 17.210 17.918 -4.984 1.00 0.00 O ATOM 1504 CB SER A 98 15.319 18.681 -7.727 1.00 0.00 C ATOM 1505 OG SER A 98 14.603 17.823 -8.611 1.00 0.00 O ATOM 0 H SER A 98 14.040 19.634 -5.245 1.00 0.00 H new ATOM 0 HA SER A 98 15.190 17.136 -6.258 1.00 0.00 H new ATOM 0 HB2 SER A 98 14.937 19.698 -7.820 1.00 0.00 H new ATOM 0 HB3 SER A 98 16.369 18.707 -8.018 1.00 0.00 H new ATOM 0 HG SER A 98 13.892 17.364 -8.117 1.00 0.00 H new ATOM 1511 N GLY A 99 16.502 20.036 -5.345 1.00 0.00 N ATOM 1512 CA GLY A 99 17.596 20.645 -4.607 1.00 0.00 C ATOM 1513 C GLY A 99 17.513 20.299 -3.119 1.00 0.00 C ATOM 1514 O GLY A 99 18.421 20.616 -2.353 1.00 0.00 O ATOM 0 H GLY A 99 15.837 20.698 -5.746 1.00 0.00 H new ATOM 0 HA2 GLY A 99 18.548 20.301 -5.011 1.00 0.00 H new ATOM 0 HA3 GLY A 99 17.568 21.727 -4.735 1.00 0.00 H new TER 1518 GLY A 99