USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 969 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 58 ASN : amide:sc= -0.173 X(o=-0.17,f=0.14) USER MOD Set 1.2: A 59 LYS NZ :NH3+ 177:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.0751 (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 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.015 K(o=-0.015,f=-4.7!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.17 K(o=-1.2,f=-2.2!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot -144:sc= 0.221 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.385 X(o=-0.39,f=-0.38) USER MOD Single : A 46 GLN : amide:sc= 0.698 K(o=0.7,f=-0.035) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -1.48 X(o=-1.5,f=-1.4) USER MOD Single : A 54 SER OG : rot 147:sc= 0.771 USER MOD Single : A 55 HIS :FLIP no HD1:sc= -6.78! C(o=-7.7!,f=-6.8!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= -0.736 USER MOD Single : A 79 HIS : no HD1:sc= -0.0141 X(o=-0.014,f=0) USER MOD Single : A 81 ASN :FLIP amide:sc= 0.0409 F(o=-0.68,f=0.041) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.07 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -0.0879 X(o=-0.088,f=-0.59) USER MOD Single : A 96 ASN : amide:sc= 0.8 K(o=0.8,f=-0.51) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 108:sc= 1.31 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 LYS NZ :NH3+ -128:sc= -2.3! (180deg=-5.15!) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 GLN : amide:sc= -0.373 X(o=-0.37,f=-0.22) USER MOD Single : A 121 SER OG : rot 90:sc= 0.42 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.872 7.452 -25.404 1.00 0.00 N ATOM 2 CA GLY A 1 27.121 8.456 -24.673 1.00 0.00 C ATOM 3 C GLY A 1 25.787 7.934 -24.177 1.00 0.00 C ATOM 4 O GLY A 1 25.471 6.757 -24.349 1.00 0.00 O ATOM 0 H1 GLY A 1 28.801 7.320 -24.957 1.00 0.00 H new ATOM 0 H2 GLY A 1 27.351 6.552 -25.392 1.00 0.00 H new ATOM 0 H3 GLY A 1 28.002 7.764 -26.388 1.00 0.00 H new ATOM 0 HA2 GLY A 1 27.711 8.800 -23.824 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.953 9.320 -25.316 1.00 0.00 H new ATOM 8 N SER A 2 25.003 8.811 -23.560 1.00 0.00 N ATOM 9 CA SER A 2 23.697 8.431 -23.032 1.00 0.00 C ATOM 10 C SER A 2 22.909 9.662 -22.593 1.00 0.00 C ATOM 11 O SER A 2 23.485 10.656 -22.151 1.00 0.00 O ATOM 12 CB SER A 2 23.860 7.469 -21.854 1.00 0.00 C ATOM 13 OG SER A 2 22.706 6.664 -21.690 1.00 0.00 O ATOM 0 H SER A 2 25.249 9.790 -23.413 1.00 0.00 H new ATOM 0 HA SER A 2 23.143 7.931 -23.826 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.730 6.833 -22.017 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.045 8.035 -20.941 1.00 0.00 H new ATOM 0 HG SER A 2 22.836 6.057 -20.932 1.00 0.00 H new ATOM 19 N SER A 3 21.588 9.587 -22.720 1.00 0.00 N ATOM 20 CA SER A 3 20.720 10.695 -22.340 1.00 0.00 C ATOM 21 C SER A 3 19.341 10.189 -21.928 1.00 0.00 C ATOM 22 O SER A 3 18.970 9.054 -22.225 1.00 0.00 O ATOM 23 CB SER A 3 20.586 11.686 -23.498 1.00 0.00 C ATOM 24 OG SER A 3 20.043 11.057 -24.646 1.00 0.00 O ATOM 0 H SER A 3 21.096 8.771 -23.083 1.00 0.00 H new ATOM 0 HA SER A 3 21.172 11.202 -21.487 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.947 12.517 -23.198 1.00 0.00 H new ATOM 0 HB3 SER A 3 21.563 12.105 -23.737 1.00 0.00 H new ATOM 0 HG SER A 3 19.966 11.711 -25.372 1.00 0.00 H new ATOM 30 N GLY A 4 18.586 11.040 -21.240 1.00 0.00 N ATOM 31 CA GLY A 4 17.257 10.662 -20.797 1.00 0.00 C ATOM 32 C GLY A 4 16.176 11.549 -21.381 1.00 0.00 C ATOM 33 O GLY A 4 16.401 12.239 -22.376 1.00 0.00 O ATOM 0 H GLY A 4 18.871 11.985 -20.982 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.064 9.627 -21.079 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.213 10.710 -19.709 1.00 0.00 H new ATOM 37 N SER A 5 15.000 11.532 -20.763 1.00 0.00 N ATOM 38 CA SER A 5 13.878 12.338 -21.232 1.00 0.00 C ATOM 39 C SER A 5 12.722 12.289 -20.238 1.00 0.00 C ATOM 40 O SER A 5 12.627 11.371 -19.423 1.00 0.00 O ATOM 41 CB SER A 5 13.408 11.847 -22.603 1.00 0.00 C ATOM 42 OG SER A 5 13.342 12.916 -23.531 1.00 0.00 O ATOM 0 H SER A 5 14.799 10.969 -19.936 1.00 0.00 H new ATOM 0 HA SER A 5 14.216 13.371 -21.320 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.091 11.082 -22.973 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.427 11.381 -22.510 1.00 0.00 H new ATOM 0 HG SER A 5 13.041 12.577 -24.400 1.00 0.00 H new ATOM 48 N SER A 6 11.844 13.284 -20.312 1.00 0.00 N ATOM 49 CA SER A 6 10.695 13.358 -19.417 1.00 0.00 C ATOM 50 C SER A 6 9.735 14.460 -19.856 1.00 0.00 C ATOM 51 O SER A 6 10.156 15.554 -20.227 1.00 0.00 O ATOM 52 CB SER A 6 11.156 13.610 -17.981 1.00 0.00 C ATOM 53 OG SER A 6 10.370 12.877 -17.057 1.00 0.00 O ATOM 0 H SER A 6 11.906 14.050 -20.982 1.00 0.00 H new ATOM 0 HA SER A 6 10.170 12.404 -19.460 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.203 13.327 -17.877 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.089 14.674 -17.756 1.00 0.00 H new ATOM 0 HG SER A 6 10.686 13.054 -16.146 1.00 0.00 H new ATOM 59 N GLY A 7 8.440 14.161 -19.810 1.00 0.00 N ATOM 60 CA GLY A 7 7.439 15.135 -20.205 1.00 0.00 C ATOM 61 C GLY A 7 7.764 16.532 -19.714 1.00 0.00 C ATOM 62 O GLY A 7 8.539 16.702 -18.773 1.00 0.00 O ATOM 0 H GLY A 7 8.066 13.262 -19.506 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.356 15.145 -21.292 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.468 14.832 -19.814 1.00 0.00 H new ATOM 66 N SER A 8 7.172 17.535 -20.354 1.00 0.00 N ATOM 67 CA SER A 8 7.407 18.925 -19.981 1.00 0.00 C ATOM 68 C SER A 8 8.864 19.313 -20.220 1.00 0.00 C ATOM 69 O SER A 8 9.559 19.755 -19.305 1.00 0.00 O ATOM 70 CB SER A 8 7.043 19.149 -18.512 1.00 0.00 C ATOM 71 OG SER A 8 6.637 20.488 -18.286 1.00 0.00 O ATOM 0 H SER A 8 6.526 17.411 -21.134 1.00 0.00 H new ATOM 0 HA SER A 8 6.774 19.555 -20.606 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.241 18.469 -18.225 1.00 0.00 H new ATOM 0 HB3 SER A 8 7.901 18.914 -17.882 1.00 0.00 H new ATOM 0 HG SER A 8 6.408 20.605 -17.340 1.00 0.00 H new ATOM 77 N LYS A 9 9.319 19.143 -21.457 1.00 0.00 N ATOM 78 CA LYS A 9 10.691 19.476 -21.819 1.00 0.00 C ATOM 79 C LYS A 9 10.753 20.085 -23.216 1.00 0.00 C ATOM 80 O LYS A 9 9.722 20.355 -23.831 1.00 0.00 O ATOM 81 CB LYS A 9 11.574 18.227 -21.757 1.00 0.00 C ATOM 82 CG LYS A 9 12.458 18.168 -20.524 1.00 0.00 C ATOM 83 CD LYS A 9 13.868 17.719 -20.869 1.00 0.00 C ATOM 84 CE LYS A 9 14.823 18.899 -20.956 1.00 0.00 C ATOM 85 NZ LYS A 9 16.184 18.549 -20.461 1.00 0.00 N ATOM 0 H LYS A 9 8.757 18.777 -22.225 1.00 0.00 H new ATOM 0 HA LYS A 9 11.060 20.211 -21.104 1.00 0.00 H new ATOM 0 HB2 LYS A 9 10.939 17.342 -21.781 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.203 18.192 -22.647 1.00 0.00 H new ATOM 0 HG2 LYS A 9 12.493 19.150 -20.053 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.024 17.481 -19.797 1.00 0.00 H new ATOM 0 HD2 LYS A 9 14.223 17.018 -20.114 1.00 0.00 H new ATOM 0 HD3 LYS A 9 13.859 17.186 -21.820 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.889 19.238 -21.990 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.427 19.730 -20.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 16.805 19.380 -20.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 16.125 18.250 -19.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 16.573 17.773 -21.034 1.00 0.00 H new ATOM 99 N ASN A 10 11.968 20.299 -23.711 1.00 0.00 N ATOM 100 CA ASN A 10 12.163 20.876 -25.036 1.00 0.00 C ATOM 101 C ASN A 10 11.232 20.225 -26.055 1.00 0.00 C ATOM 102 O ASN A 10 10.821 19.077 -25.890 1.00 0.00 O ATOM 103 CB ASN A 10 13.618 20.710 -25.478 1.00 0.00 C ATOM 104 CG ASN A 10 14.586 21.437 -24.565 1.00 0.00 C ATOM 105 OD1 ASN A 10 14.383 21.503 -23.353 1.00 0.00 O ATOM 106 ND2 ASN A 10 15.646 21.988 -25.145 1.00 0.00 N ATOM 0 H ASN A 10 12.832 20.081 -23.214 1.00 0.00 H new ATOM 0 HA ASN A 10 11.926 21.939 -24.981 1.00 0.00 H new ATOM 0 HB2 ASN A 10 13.870 19.650 -25.499 1.00 0.00 H new ATOM 0 HB3 ASN A 10 13.731 21.085 -26.495 1.00 0.00 H new ATOM 0 HD21 ASN A 10 16.332 22.491 -24.582 1.00 0.00 H new ATOM 0 HD22 ASN A 10 15.774 21.908 -26.154 1.00 0.00 H new ATOM 113 N GLU A 11 10.906 20.967 -27.109 1.00 0.00 N ATOM 114 CA GLU A 11 10.024 20.462 -28.154 1.00 0.00 C ATOM 115 C GLU A 11 8.642 20.142 -27.593 1.00 0.00 C ATOM 116 O GLU A 11 8.516 19.580 -26.504 1.00 0.00 O ATOM 117 CB GLU A 11 10.626 19.212 -28.800 1.00 0.00 C ATOM 118 CG GLU A 11 11.924 19.476 -29.544 1.00 0.00 C ATOM 119 CD GLU A 11 12.179 18.469 -30.648 1.00 0.00 C ATOM 120 OE1 GLU A 11 11.196 17.914 -31.183 1.00 0.00 O ATOM 121 OE2 GLU A 11 13.361 18.234 -30.977 1.00 0.00 O ATOM 0 H GLU A 11 11.239 21.919 -27.261 1.00 0.00 H new ATOM 0 HA GLU A 11 9.918 21.239 -28.911 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.806 18.465 -28.027 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.900 18.786 -29.493 1.00 0.00 H new ATOM 0 HG2 GLU A 11 11.896 20.478 -29.971 1.00 0.00 H new ATOM 0 HG3 GLU A 11 12.754 19.453 -28.838 1.00 0.00 H new ATOM 128 N LYS A 12 7.606 20.504 -28.342 1.00 0.00 N ATOM 129 CA LYS A 12 6.232 20.256 -27.922 1.00 0.00 C ATOM 130 C LYS A 12 5.854 18.794 -28.135 1.00 0.00 C ATOM 131 O LYS A 12 5.430 18.406 -29.223 1.00 0.00 O ATOM 132 CB LYS A 12 5.270 21.161 -28.694 1.00 0.00 C ATOM 133 CG LYS A 12 5.370 21.009 -30.202 1.00 0.00 C ATOM 134 CD LYS A 12 5.087 22.321 -30.915 1.00 0.00 C ATOM 135 CE LYS A 12 6.373 23.031 -31.307 1.00 0.00 C ATOM 136 NZ LYS A 12 6.206 24.511 -31.326 1.00 0.00 N ATOM 0 H LYS A 12 7.692 20.971 -29.245 1.00 0.00 H new ATOM 0 HA LYS A 12 6.157 20.481 -26.858 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.249 20.942 -28.382 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.469 22.199 -28.428 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.367 20.657 -30.468 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.664 20.251 -30.540 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.489 22.130 -31.806 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.496 22.968 -30.267 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.164 22.764 -30.606 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.691 22.689 -32.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.105 24.958 -31.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.469 24.768 -32.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.927 24.841 -30.380 1.00 0.00 H new ATOM 150 N GLU A 13 6.008 17.989 -27.088 1.00 0.00 N ATOM 151 CA GLU A 13 5.681 16.570 -27.163 1.00 0.00 C ATOM 152 C GLU A 13 5.777 15.917 -25.787 1.00 0.00 C ATOM 153 O GLU A 13 6.541 16.361 -24.930 1.00 0.00 O ATOM 154 CB GLU A 13 6.617 15.859 -28.143 1.00 0.00 C ATOM 155 CG GLU A 13 6.270 14.396 -28.362 1.00 0.00 C ATOM 156 CD GLU A 13 5.154 14.205 -29.370 1.00 0.00 C ATOM 157 OE1 GLU A 13 4.008 14.599 -29.067 1.00 0.00 O ATOM 158 OE2 GLU A 13 5.425 13.662 -30.461 1.00 0.00 O ATOM 0 H GLU A 13 6.357 18.295 -26.179 1.00 0.00 H new ATOM 0 HA GLU A 13 4.655 16.478 -27.520 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.589 16.378 -29.101 1.00 0.00 H new ATOM 0 HB3 GLU A 13 7.640 15.930 -27.772 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.158 13.863 -28.703 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.976 13.950 -27.412 1.00 0.00 H new ATOM 165 N GLN A 14 4.995 14.862 -25.583 1.00 0.00 N ATOM 166 CA GLN A 14 4.991 14.148 -24.312 1.00 0.00 C ATOM 167 C GLN A 14 4.396 15.013 -23.205 1.00 0.00 C ATOM 168 O GLN A 14 4.438 14.650 -22.029 1.00 0.00 O ATOM 169 CB GLN A 14 6.411 13.723 -23.936 1.00 0.00 C ATOM 170 CG GLN A 14 6.560 12.227 -23.715 1.00 0.00 C ATOM 171 CD GLN A 14 7.910 11.702 -24.162 1.00 0.00 C ATOM 172 OE1 GLN A 14 8.297 11.858 -25.320 1.00 0.00 O ATOM 173 NE2 GLN A 14 8.636 11.076 -23.243 1.00 0.00 N ATOM 0 H GLN A 14 4.356 14.483 -26.282 1.00 0.00 H new ATOM 0 HA GLN A 14 4.372 13.258 -24.426 1.00 0.00 H new ATOM 0 HB2 GLN A 14 7.096 14.035 -24.725 1.00 0.00 H new ATOM 0 HB3 GLN A 14 6.710 14.247 -23.028 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.420 12.004 -22.657 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.773 11.703 -24.258 1.00 0.00 H new ATOM 0 HE21 GLN A 14 8.276 10.969 -22.295 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.553 10.702 -23.486 1.00 0.00 H new ATOM 182 N LEU A 15 3.845 16.159 -23.588 1.00 0.00 N ATOM 183 CA LEU A 15 3.242 17.077 -22.628 1.00 0.00 C ATOM 184 C LEU A 15 1.791 16.697 -22.349 1.00 0.00 C ATOM 185 O LEU A 15 1.269 15.738 -22.917 1.00 0.00 O ATOM 186 CB LEU A 15 3.314 18.513 -23.150 1.00 0.00 C ATOM 187 CG LEU A 15 2.783 18.739 -24.566 1.00 0.00 C ATOM 188 CD1 LEU A 15 2.244 20.154 -24.714 1.00 0.00 C ATOM 189 CD2 LEU A 15 3.874 18.472 -25.593 1.00 0.00 C ATOM 0 H LEU A 15 3.803 16.475 -24.557 1.00 0.00 H new ATOM 0 HA LEU A 15 3.802 17.008 -21.696 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.757 19.155 -22.468 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.354 18.839 -23.117 1.00 0.00 H new ATOM 0 HG LEU A 15 1.966 18.040 -24.743 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.870 20.297 -25.728 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.433 20.311 -24.003 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.042 20.870 -24.517 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.479 18.638 -26.595 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.712 19.147 -25.417 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.214 17.440 -25.503 1.00 0.00 H new ATOM 201 N SER A 16 1.144 17.458 -21.472 1.00 0.00 N ATOM 202 CA SER A 16 -0.247 17.201 -21.116 1.00 0.00 C ATOM 203 C SER A 16 -1.120 18.413 -21.427 1.00 0.00 C ATOM 204 O SER A 16 -0.639 19.545 -21.473 1.00 0.00 O ATOM 205 CB SER A 16 -0.359 16.844 -19.632 1.00 0.00 C ATOM 206 OG SER A 16 0.012 17.941 -18.815 1.00 0.00 O ATOM 0 H SER A 16 1.561 18.257 -20.995 1.00 0.00 H new ATOM 0 HA SER A 16 -0.599 16.359 -21.712 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.382 16.545 -19.403 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.280 15.989 -19.411 1.00 0.00 H new ATOM 0 HG SER A 16 -0.070 17.689 -17.872 1.00 0.00 H new ATOM 212 N LYS A 17 -2.408 18.167 -21.639 1.00 0.00 N ATOM 213 CA LYS A 17 -3.352 19.236 -21.945 1.00 0.00 C ATOM 214 C LYS A 17 -3.875 19.881 -20.666 1.00 0.00 C ATOM 215 O LYS A 17 -3.723 19.332 -19.575 1.00 0.00 O ATOM 216 CB LYS A 17 -4.521 18.692 -22.770 1.00 0.00 C ATOM 217 CG LYS A 17 -4.375 18.931 -24.262 1.00 0.00 C ATOM 218 CD LYS A 17 -3.768 17.727 -24.963 1.00 0.00 C ATOM 219 CE LYS A 17 -2.549 18.117 -25.786 1.00 0.00 C ATOM 220 NZ LYS A 17 -1.775 16.925 -26.229 1.00 0.00 N ATOM 0 H LYS A 17 -2.823 17.236 -21.605 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.828 19.995 -22.526 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.615 17.621 -22.590 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.445 19.156 -22.425 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.352 19.150 -24.694 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.748 19.806 -24.432 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.484 16.979 -24.223 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.514 17.268 -25.611 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.867 18.688 -26.658 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.905 18.769 -25.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.953 17.233 -26.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.450 16.393 -25.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.381 16.315 -26.814 1.00 0.00 H new ATOM 234 N ALA A 18 -4.494 21.049 -20.808 1.00 0.00 N ATOM 235 CA ALA A 18 -5.043 21.767 -19.664 1.00 0.00 C ATOM 236 C ALA A 18 -6.560 21.882 -19.765 1.00 0.00 C ATOM 237 O ALA A 18 -7.105 22.984 -19.842 1.00 0.00 O ATOM 238 CB ALA A 18 -4.412 23.147 -19.555 1.00 0.00 C ATOM 0 H ALA A 18 -4.628 21.518 -21.704 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.808 21.200 -18.763 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -4.831 23.672 -18.697 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -3.334 23.045 -19.427 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.618 23.714 -20.463 1.00 0.00 H new ATOM 244 N LYS A 19 -7.237 20.739 -19.765 1.00 0.00 N ATOM 245 CA LYS A 19 -8.692 20.712 -19.857 1.00 0.00 C ATOM 246 C LYS A 19 -9.277 19.667 -18.911 1.00 0.00 C ATOM 247 O LYS A 19 -8.546 18.870 -18.324 1.00 0.00 O ATOM 248 CB LYS A 19 -9.128 20.415 -21.293 1.00 0.00 C ATOM 249 CG LYS A 19 -9.691 21.624 -22.020 1.00 0.00 C ATOM 250 CD LYS A 19 -11.056 22.014 -21.478 1.00 0.00 C ATOM 251 CE LYS A 19 -10.959 23.186 -20.513 1.00 0.00 C ATOM 252 NZ LYS A 19 -11.776 24.346 -20.966 1.00 0.00 N ATOM 0 H LYS A 19 -6.801 19.819 -19.702 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.068 21.693 -19.565 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.274 20.031 -21.851 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.881 19.627 -21.280 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.004 22.464 -21.917 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.770 21.405 -23.085 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -11.716 22.276 -22.305 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -11.505 21.160 -20.971 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -11.292 22.871 -19.524 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.917 23.491 -20.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.683 25.124 -20.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.442 24.663 -21.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -12.774 24.062 -21.034 1.00 0.00 H new ATOM 266 N ALA A 20 -10.598 19.677 -18.770 1.00 0.00 N ATOM 267 CA ALA A 20 -11.281 18.728 -17.899 1.00 0.00 C ATOM 268 C ALA A 20 -12.338 17.941 -18.666 1.00 0.00 C ATOM 269 O ALA A 20 -12.976 18.466 -19.579 1.00 0.00 O ATOM 270 CB ALA A 20 -11.911 19.454 -16.720 1.00 0.00 C ATOM 0 H ALA A 20 -11.217 20.332 -19.248 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.542 18.020 -17.523 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -12.418 18.734 -16.078 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -11.135 19.965 -16.150 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -12.633 20.184 -17.086 1.00 0.00 H new ATOM 276 N SER A 21 -12.520 16.680 -18.289 1.00 0.00 N ATOM 277 CA SER A 21 -13.497 15.819 -18.945 1.00 0.00 C ATOM 278 C SER A 21 -13.907 14.668 -18.031 1.00 0.00 C ATOM 279 O SER A 21 -13.973 13.515 -18.458 1.00 0.00 O ATOM 280 CB SER A 21 -12.927 15.269 -20.253 1.00 0.00 C ATOM 281 OG SER A 21 -13.873 15.370 -21.304 1.00 0.00 O ATOM 0 H SER A 21 -12.004 16.231 -17.532 1.00 0.00 H new ATOM 0 HA SER A 21 -14.381 16.417 -19.166 1.00 0.00 H new ATOM 0 HB2 SER A 21 -12.023 15.818 -20.519 1.00 0.00 H new ATOM 0 HB3 SER A 21 -12.639 14.227 -20.118 1.00 0.00 H new ATOM 0 HG SER A 21 -13.484 15.013 -22.130 1.00 0.00 H new ATOM 287 N VAL A 22 -14.181 14.990 -16.771 1.00 0.00 N ATOM 288 CA VAL A 22 -14.585 13.984 -15.796 1.00 0.00 C ATOM 289 C VAL A 22 -16.035 13.563 -16.009 1.00 0.00 C ATOM 290 O VAL A 22 -16.854 14.344 -16.494 1.00 0.00 O ATOM 291 CB VAL A 22 -14.419 14.501 -14.354 1.00 0.00 C ATOM 292 CG1 VAL A 22 -15.264 15.747 -14.133 1.00 0.00 C ATOM 293 CG2 VAL A 22 -14.784 13.415 -13.354 1.00 0.00 C ATOM 0 H VAL A 22 -14.131 15.939 -16.401 1.00 0.00 H new ATOM 0 HA VAL A 22 -13.934 13.122 -15.943 1.00 0.00 H new ATOM 0 HB VAL A 22 -13.374 14.768 -14.200 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -15.134 16.098 -13.109 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -14.950 16.527 -14.827 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -16.314 15.510 -14.305 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -14.661 13.797 -12.341 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -15.821 13.115 -13.505 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -14.132 12.553 -13.498 1.00 0.00 H new ATOM 303 N SER A 23 -16.345 12.324 -15.643 1.00 0.00 N ATOM 304 CA SER A 23 -17.696 11.797 -15.798 1.00 0.00 C ATOM 305 C SER A 23 -17.970 10.697 -14.777 1.00 0.00 C ATOM 306 O SER A 23 -18.545 9.659 -15.105 1.00 0.00 O ATOM 307 CB SER A 23 -17.896 11.254 -17.215 1.00 0.00 C ATOM 308 OG SER A 23 -19.122 11.704 -17.764 1.00 0.00 O ATOM 0 H SER A 23 -15.679 11.666 -15.237 1.00 0.00 H new ATOM 0 HA SER A 23 -18.399 12.612 -15.627 1.00 0.00 H new ATOM 0 HB2 SER A 23 -17.070 11.574 -17.850 1.00 0.00 H new ATOM 0 HB3 SER A 23 -17.880 10.164 -17.196 1.00 0.00 H new ATOM 0 HG SER A 23 -19.226 11.345 -18.670 1.00 0.00 H new ATOM 314 N SER A 24 -17.555 10.932 -13.536 1.00 0.00 N ATOM 315 CA SER A 24 -17.751 9.961 -12.467 1.00 0.00 C ATOM 316 C SER A 24 -17.528 8.540 -12.976 1.00 0.00 C ATOM 317 O SER A 24 -18.472 7.852 -13.366 1.00 0.00 O ATOM 318 CB SER A 24 -19.160 10.091 -11.884 1.00 0.00 C ATOM 319 OG SER A 24 -19.121 10.171 -10.470 1.00 0.00 O ATOM 0 H SER A 24 -17.081 11.787 -13.247 1.00 0.00 H new ATOM 0 HA SER A 24 -17.021 10.166 -11.684 1.00 0.00 H new ATOM 0 HB2 SER A 24 -19.644 10.980 -12.289 1.00 0.00 H new ATOM 0 HB3 SER A 24 -19.763 9.235 -12.187 1.00 0.00 H new ATOM 0 HG SER A 24 -20.033 10.255 -10.122 1.00 0.00 H new ATOM 325 N LEU A 25 -16.272 8.107 -12.968 1.00 0.00 N ATOM 326 CA LEU A 25 -15.922 6.767 -13.429 1.00 0.00 C ATOM 327 C LEU A 25 -15.125 6.017 -12.366 1.00 0.00 C ATOM 328 O LEU A 25 -14.174 6.552 -11.797 1.00 0.00 O ATOM 329 CB LEU A 25 -15.116 6.847 -14.726 1.00 0.00 C ATOM 330 CG LEU A 25 -15.772 7.607 -15.879 1.00 0.00 C ATOM 331 CD1 LEU A 25 -14.719 8.122 -16.848 1.00 0.00 C ATOM 332 CD2 LEU A 25 -16.775 6.719 -16.601 1.00 0.00 C ATOM 0 H LEU A 25 -15.479 8.663 -12.648 1.00 0.00 H new ATOM 0 HA LEU A 25 -16.846 6.221 -13.617 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -14.158 7.317 -14.506 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -14.903 5.832 -15.061 1.00 0.00 H new ATOM 0 HG LEU A 25 -16.306 8.463 -15.467 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -15.205 8.660 -17.662 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -14.040 8.794 -16.324 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -14.156 7.282 -17.254 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -17.232 7.276 -17.419 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -16.264 5.843 -17.000 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -17.548 6.401 -15.902 1.00 0.00 H new ATOM 344 N ASN A 26 -15.519 4.775 -12.106 1.00 0.00 N ATOM 345 CA ASN A 26 -14.840 3.950 -11.114 1.00 0.00 C ATOM 346 C ASN A 26 -14.413 2.615 -11.715 1.00 0.00 C ATOM 347 O ASN A 26 -15.245 1.749 -11.987 1.00 0.00 O ATOM 348 CB ASN A 26 -15.752 3.711 -9.909 1.00 0.00 C ATOM 349 CG ASN A 26 -17.019 2.967 -10.282 1.00 0.00 C ATOM 350 OD1 ASN A 26 -17.042 1.737 -10.319 1.00 0.00 O ATOM 351 ND2 ASN A 26 -18.082 3.712 -10.561 1.00 0.00 N ATOM 0 H ASN A 26 -16.305 4.318 -12.568 1.00 0.00 H new ATOM 0 HA ASN A 26 -13.947 4.482 -10.786 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -15.210 3.143 -9.153 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -16.015 4.669 -9.460 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -18.963 3.267 -10.819 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -18.018 4.729 -10.518 1.00 0.00 H new ATOM 358 N LYS A 27 -13.110 2.454 -11.921 1.00 0.00 N ATOM 359 CA LYS A 27 -12.571 1.224 -12.489 1.00 0.00 C ATOM 360 C LYS A 27 -11.510 0.621 -11.573 1.00 0.00 C ATOM 361 O LYS A 27 -10.764 1.343 -10.911 1.00 0.00 O ATOM 362 CB LYS A 27 -11.972 1.496 -13.871 1.00 0.00 C ATOM 363 CG LYS A 27 -11.649 0.234 -14.653 1.00 0.00 C ATOM 364 CD LYS A 27 -10.165 0.136 -14.965 1.00 0.00 C ATOM 365 CE LYS A 27 -9.868 -1.025 -15.902 1.00 0.00 C ATOM 366 NZ LYS A 27 -10.205 -0.697 -17.315 1.00 0.00 N ATOM 0 H LYS A 27 -12.407 3.161 -11.703 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.389 0.510 -12.588 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -12.671 2.102 -14.448 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.062 2.084 -13.754 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -11.960 -0.640 -14.080 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.219 0.225 -15.582 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.825 1.067 -15.419 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.605 0.010 -14.039 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.812 -1.287 -15.832 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.436 -1.900 -15.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.988 -1.513 -17.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.218 -0.471 -17.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.645 0.123 -17.624 1.00 0.00 H new ATOM 380 N VAL A 28 -11.447 -0.706 -11.542 1.00 0.00 N ATOM 381 CA VAL A 28 -10.475 -1.405 -10.709 1.00 0.00 C ATOM 382 C VAL A 28 -9.310 -1.925 -11.544 1.00 0.00 C ATOM 383 O VAL A 28 -9.510 -2.578 -12.569 1.00 0.00 O ATOM 384 CB VAL A 28 -11.124 -2.585 -9.961 1.00 0.00 C ATOM 385 CG1 VAL A 28 -10.058 -3.468 -9.330 1.00 0.00 C ATOM 386 CG2 VAL A 28 -12.099 -2.078 -8.909 1.00 0.00 C ATOM 0 H VAL A 28 -12.057 -1.319 -12.083 1.00 0.00 H new ATOM 0 HA VAL A 28 -10.103 -0.684 -9.981 1.00 0.00 H new ATOM 0 HB VAL A 28 -11.681 -3.186 -10.680 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.535 -4.296 -8.806 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.403 -3.860 -10.108 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -9.471 -2.881 -8.623 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -12.548 -2.925 -8.391 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -11.567 -1.454 -8.191 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -12.881 -1.491 -9.391 1.00 0.00 H new ATOM 396 N ILE A 29 -8.093 -1.633 -11.097 1.00 0.00 N ATOM 397 CA ILE A 29 -6.896 -2.073 -11.802 1.00 0.00 C ATOM 398 C ILE A 29 -6.429 -3.434 -11.297 1.00 0.00 C ATOM 399 O ILE A 29 -6.316 -3.653 -10.092 1.00 0.00 O ATOM 400 CB ILE A 29 -5.747 -1.059 -11.647 1.00 0.00 C ATOM 401 CG1 ILE A 29 -6.134 0.284 -12.271 1.00 0.00 C ATOM 402 CG2 ILE A 29 -4.475 -1.598 -12.284 1.00 0.00 C ATOM 403 CD1 ILE A 29 -6.168 0.260 -13.783 1.00 0.00 C ATOM 0 H ILE A 29 -7.910 -1.094 -10.251 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.162 -2.151 -12.856 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.561 -0.904 -10.584 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.115 0.580 -11.898 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.426 1.045 -11.944 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.672 -0.870 -12.166 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.192 -2.532 -11.798 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.648 -1.779 -13.345 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.450 1.245 -14.156 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.182 -0.005 -14.165 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.897 -0.477 -14.119 1.00 0.00 H new ATOM 415 N GLN A 30 -6.159 -4.343 -12.228 1.00 0.00 N ATOM 416 CA GLN A 30 -5.703 -5.683 -11.877 1.00 0.00 C ATOM 417 C GLN A 30 -4.789 -6.248 -12.959 1.00 0.00 C ATOM 418 O GLN A 30 -5.193 -6.395 -14.114 1.00 0.00 O ATOM 419 CB GLN A 30 -6.899 -6.612 -11.666 1.00 0.00 C ATOM 420 CG GLN A 30 -7.959 -6.496 -12.750 1.00 0.00 C ATOM 421 CD GLN A 30 -8.710 -7.794 -12.973 1.00 0.00 C ATOM 422 OE1 GLN A 30 -8.305 -8.627 -13.784 1.00 0.00 O ATOM 423 NE2 GLN A 30 -9.811 -7.972 -12.253 1.00 0.00 N ATOM 0 H GLN A 30 -6.248 -4.176 -13.230 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.136 -5.615 -10.948 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.545 -7.642 -11.624 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.354 -6.392 -10.700 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.667 -5.713 -12.478 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.487 -6.189 -13.683 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -10.110 -7.255 -11.592 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -10.358 -8.826 -12.361 1.00 0.00 H new ATOM 432 N THR A 31 -3.555 -6.565 -12.580 1.00 0.00 N ATOM 433 CA THR A 31 -2.584 -7.113 -13.518 1.00 0.00 C ATOM 434 C THR A 31 -1.682 -8.138 -12.840 1.00 0.00 C ATOM 435 O THR A 31 -1.486 -8.101 -11.625 1.00 0.00 O ATOM 436 CB THR A 31 -1.709 -6.004 -14.132 1.00 0.00 C ATOM 437 OG1 THR A 31 -1.111 -6.468 -15.347 1.00 0.00 O ATOM 438 CG2 THR A 31 -0.622 -5.570 -13.160 1.00 0.00 C ATOM 0 H THR A 31 -3.204 -6.451 -11.629 1.00 0.00 H new ATOM 0 HA THR A 31 -3.151 -7.600 -14.311 1.00 0.00 H new ATOM 0 HB THR A 31 -2.347 -5.146 -14.345 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.207 -6.099 -15.428 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.017 -4.786 -13.616 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.081 -5.189 -12.247 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.012 -6.423 -12.919 1.00 0.00 H new ATOM 446 N LYS A 32 -1.135 -9.054 -13.632 1.00 0.00 N ATOM 447 CA LYS A 32 -0.252 -10.089 -13.109 1.00 0.00 C ATOM 448 C LYS A 32 1.211 -9.728 -13.346 1.00 0.00 C ATOM 449 O LYS A 32 1.641 -9.556 -14.487 1.00 0.00 O ATOM 450 CB LYS A 32 -0.568 -11.436 -13.764 1.00 0.00 C ATOM 451 CG LYS A 32 -1.919 -12.004 -13.366 1.00 0.00 C ATOM 452 CD LYS A 32 -3.048 -11.360 -14.154 1.00 0.00 C ATOM 453 CE LYS A 32 -4.068 -10.706 -13.234 1.00 0.00 C ATOM 454 NZ LYS A 32 -5.101 -9.953 -13.997 1.00 0.00 N ATOM 0 H LYS A 32 -1.288 -9.100 -14.639 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.419 -10.165 -12.035 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.537 -11.320 -14.847 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.210 -12.151 -13.498 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.926 -13.081 -13.533 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -2.082 -11.846 -12.300 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.638 -10.613 -14.834 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.541 -12.114 -14.768 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.551 -11.471 -12.626 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.558 -10.029 -12.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.777 -9.522 -13.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.643 -9.207 -14.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.606 -10.603 -14.633 1.00 0.00 H new ATOM 468 N LEU A 33 1.970 -9.615 -12.262 1.00 0.00 N ATOM 469 CA LEU A 33 3.386 -9.275 -12.352 1.00 0.00 C ATOM 470 C LEU A 33 4.254 -10.525 -12.242 1.00 0.00 C ATOM 471 O LEU A 33 3.869 -11.508 -11.608 1.00 0.00 O ATOM 472 CB LEU A 33 3.763 -8.280 -11.253 1.00 0.00 C ATOM 473 CG LEU A 33 2.744 -7.176 -10.969 1.00 0.00 C ATOM 474 CD1 LEU A 33 2.799 -6.761 -9.507 1.00 0.00 C ATOM 475 CD2 LEU A 33 2.991 -5.978 -11.875 1.00 0.00 C ATOM 0 H LEU A 33 1.629 -9.754 -11.311 1.00 0.00 H new ATOM 0 HA LEU A 33 3.563 -8.816 -13.325 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.934 -8.835 -10.331 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.710 -7.812 -11.523 1.00 0.00 H new ATOM 0 HG LEU A 33 1.747 -7.565 -11.177 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.067 -5.975 -9.324 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.573 -7.621 -8.876 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.796 -6.390 -9.271 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.257 -5.202 -11.660 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.994 -5.589 -11.698 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.900 -6.285 -12.917 1.00 0.00 H new ATOM 487 N THR A 34 5.429 -10.480 -12.862 1.00 0.00 N ATOM 488 CA THR A 34 6.353 -11.607 -12.833 1.00 0.00 C ATOM 489 C THR A 34 7.483 -11.366 -11.839 1.00 0.00 C ATOM 490 O THR A 34 8.490 -10.739 -12.169 1.00 0.00 O ATOM 491 CB THR A 34 6.956 -11.875 -14.224 1.00 0.00 C ATOM 492 OG1 THR A 34 5.912 -11.980 -15.199 1.00 0.00 O ATOM 493 CG2 THR A 34 7.782 -13.152 -14.219 1.00 0.00 C ATOM 0 H THR A 34 5.763 -9.674 -13.391 1.00 0.00 H new ATOM 0 HA THR A 34 5.778 -12.479 -12.521 1.00 0.00 H new ATOM 0 HB THR A 34 7.608 -11.040 -14.479 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.304 -12.149 -16.081 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.198 -13.320 -15.212 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.593 -13.058 -13.497 1.00 0.00 H new ATOM 0 HG23 THR A 34 7.148 -13.995 -13.944 1.00 0.00 H new ATOM 501 N VAL A 35 7.311 -11.869 -10.621 1.00 0.00 N ATOM 502 CA VAL A 35 8.319 -11.710 -9.579 1.00 0.00 C ATOM 503 C VAL A 35 9.725 -11.886 -10.142 1.00 0.00 C ATOM 504 O VAL A 35 9.967 -12.763 -10.971 1.00 0.00 O ATOM 505 CB VAL A 35 8.106 -12.719 -8.434 1.00 0.00 C ATOM 506 CG1 VAL A 35 9.291 -12.702 -7.480 1.00 0.00 C ATOM 507 CG2 VAL A 35 6.812 -12.419 -7.694 1.00 0.00 C ATOM 0 H VAL A 35 6.483 -12.390 -10.331 1.00 0.00 H new ATOM 0 HA VAL A 35 8.212 -10.698 -9.187 1.00 0.00 H new ATOM 0 HB VAL A 35 8.029 -13.718 -8.863 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.123 -13.421 -6.678 1.00 0.00 H new ATOM 0 HG12 VAL A 35 10.198 -12.969 -8.022 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.402 -11.704 -7.056 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.678 -13.141 -6.889 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.857 -11.413 -7.276 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.973 -12.487 -8.386 1.00 0.00 H new ATOM 517 N GLY A 36 10.649 -11.047 -9.686 1.00 0.00 N ATOM 518 CA GLY A 36 12.020 -11.126 -10.155 1.00 0.00 C ATOM 519 C GLY A 36 12.977 -11.583 -9.072 1.00 0.00 C ATOM 520 O GLY A 36 12.574 -11.810 -7.932 1.00 0.00 O ATOM 0 H GLY A 36 10.473 -10.313 -9.000 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.073 -11.815 -10.998 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.332 -10.148 -10.523 1.00 0.00 H new ATOM 524 N ASN A 37 14.250 -11.721 -9.429 1.00 0.00 N ATOM 525 CA ASN A 37 15.268 -12.157 -8.480 1.00 0.00 C ATOM 526 C ASN A 37 15.061 -11.496 -7.120 1.00 0.00 C ATOM 527 O ASN A 37 14.976 -12.174 -6.095 1.00 0.00 O ATOM 528 CB ASN A 37 16.665 -11.829 -9.011 1.00 0.00 C ATOM 529 CG ASN A 37 16.764 -11.995 -10.515 1.00 0.00 C ATOM 530 OD1 ASN A 37 16.868 -13.112 -11.022 1.00 0.00 O ATOM 531 ND2 ASN A 37 16.734 -10.880 -11.237 1.00 0.00 N ATOM 0 H ASN A 37 14.601 -11.537 -10.369 1.00 0.00 H new ATOM 0 HA ASN A 37 15.177 -13.236 -8.358 1.00 0.00 H new ATOM 0 HB2 ASN A 37 16.921 -10.804 -8.743 1.00 0.00 H new ATOM 0 HB3 ASN A 37 17.396 -12.477 -8.528 1.00 0.00 H new ATOM 0 HD21 ASN A 37 16.798 -10.929 -12.254 1.00 0.00 H new ATOM 0 HD22 ASN A 37 16.647 -9.975 -10.774 1.00 0.00 H new ATOM 538 N LEU A 38 14.981 -10.170 -7.118 1.00 0.00 N ATOM 539 CA LEU A 38 14.784 -9.417 -5.885 1.00 0.00 C ATOM 540 C LEU A 38 13.300 -9.303 -5.548 1.00 0.00 C ATOM 541 O LEU A 38 12.931 -8.814 -4.481 1.00 0.00 O ATOM 542 CB LEU A 38 15.398 -8.022 -6.011 1.00 0.00 C ATOM 543 CG LEU A 38 16.461 -7.853 -7.098 1.00 0.00 C ATOM 544 CD1 LEU A 38 15.896 -7.085 -8.282 1.00 0.00 C ATOM 545 CD2 LEU A 38 17.688 -7.148 -6.539 1.00 0.00 C ATOM 0 H LEU A 38 15.050 -9.594 -7.957 1.00 0.00 H new ATOM 0 HA LEU A 38 15.282 -9.954 -5.078 1.00 0.00 H new ATOM 0 HB2 LEU A 38 14.596 -7.309 -6.201 1.00 0.00 H new ATOM 0 HB3 LEU A 38 15.841 -7.754 -5.052 1.00 0.00 H new ATOM 0 HG LEU A 38 16.761 -8.843 -7.443 1.00 0.00 H new ATOM 0 HD11 LEU A 38 16.666 -6.975 -9.045 1.00 0.00 H new ATOM 0 HD12 LEU A 38 15.049 -7.630 -8.698 1.00 0.00 H new ATOM 0 HD13 LEU A 38 15.567 -6.099 -7.953 1.00 0.00 H new ATOM 0 HD21 LEU A 38 18.434 -7.036 -7.326 1.00 0.00 H new ATOM 0 HD22 LEU A 38 17.404 -6.164 -6.166 1.00 0.00 H new ATOM 0 HD23 LEU A 38 18.107 -7.738 -5.724 1.00 0.00 H new ATOM 557 N GLY A 39 12.453 -9.761 -6.465 1.00 0.00 N ATOM 558 CA GLY A 39 11.020 -9.702 -6.246 1.00 0.00 C ATOM 559 C GLY A 39 10.505 -8.280 -6.150 1.00 0.00 C ATOM 560 O GLY A 39 11.158 -7.414 -5.567 1.00 0.00 O ATOM 0 H GLY A 39 12.734 -10.172 -7.355 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.510 -10.215 -7.061 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.774 -10.237 -5.329 1.00 0.00 H new ATOM 564 N LEU A 40 9.332 -8.037 -6.724 1.00 0.00 N ATOM 565 CA LEU A 40 8.730 -6.708 -6.702 1.00 0.00 C ATOM 566 C LEU A 40 8.781 -6.111 -5.299 1.00 0.00 C ATOM 567 O LEU A 40 7.971 -6.452 -4.438 1.00 0.00 O ATOM 568 CB LEU A 40 7.282 -6.775 -7.188 1.00 0.00 C ATOM 569 CG LEU A 40 6.498 -8.027 -6.794 1.00 0.00 C ATOM 570 CD1 LEU A 40 5.053 -7.676 -6.478 1.00 0.00 C ATOM 571 CD2 LEU A 40 6.566 -9.069 -7.901 1.00 0.00 C ATOM 0 H LEU A 40 8.779 -8.742 -7.210 1.00 0.00 H new ATOM 0 HA LEU A 40 9.302 -6.065 -7.371 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.751 -5.903 -6.806 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.281 -6.697 -8.275 1.00 0.00 H new ATOM 0 HG LEU A 40 6.952 -8.448 -5.897 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.511 -8.580 -6.200 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.023 -6.966 -5.651 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.587 -7.229 -7.356 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.003 -9.953 -7.603 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.139 -8.657 -8.815 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.606 -9.344 -8.078 1.00 0.00 H new ATOM 583 N GLY A 41 9.738 -5.214 -5.077 1.00 0.00 N ATOM 584 CA GLY A 41 9.875 -4.582 -3.778 1.00 0.00 C ATOM 585 C GLY A 41 9.301 -3.179 -3.753 1.00 0.00 C ATOM 586 O GLY A 41 9.736 -2.336 -2.967 1.00 0.00 O ATOM 0 H GLY A 41 10.420 -4.914 -5.774 1.00 0.00 H new ATOM 0 HA2 GLY A 41 9.372 -5.191 -3.026 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.930 -4.545 -3.505 1.00 0.00 H new ATOM 590 N LEU A 42 8.323 -2.926 -4.615 1.00 0.00 N ATOM 591 CA LEU A 42 7.689 -1.615 -4.690 1.00 0.00 C ATOM 592 C LEU A 42 7.806 -0.876 -3.360 1.00 0.00 C ATOM 593 O LEU A 42 7.593 -1.456 -2.295 1.00 0.00 O ATOM 594 CB LEU A 42 6.216 -1.760 -5.077 1.00 0.00 C ATOM 595 CG LEU A 42 5.498 -2.997 -4.538 1.00 0.00 C ATOM 596 CD1 LEU A 42 5.851 -4.222 -5.367 1.00 0.00 C ATOM 597 CD2 LEU A 42 5.851 -3.222 -3.074 1.00 0.00 C ATOM 0 H LEU A 42 7.952 -3.612 -5.272 1.00 0.00 H new ATOM 0 HA LEU A 42 8.204 -1.033 -5.455 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.682 -0.875 -4.731 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.146 -1.770 -6.165 1.00 0.00 H new ATOM 0 HG LEU A 42 4.423 -2.831 -4.611 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.331 -5.093 -4.969 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.549 -4.061 -6.402 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.927 -4.392 -5.326 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.331 -4.107 -2.706 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.927 -3.367 -2.977 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.548 -2.354 -2.489 1.00 0.00 H new ATOM 609 N VAL A 43 8.145 0.407 -3.430 1.00 0.00 N ATOM 610 CA VAL A 43 8.287 1.226 -2.232 1.00 0.00 C ATOM 611 C VAL A 43 6.963 1.879 -1.852 1.00 0.00 C ATOM 612 O VAL A 43 6.659 2.990 -2.285 1.00 0.00 O ATOM 613 CB VAL A 43 9.351 2.323 -2.426 1.00 0.00 C ATOM 614 CG1 VAL A 43 9.353 3.280 -1.243 1.00 0.00 C ATOM 615 CG2 VAL A 43 10.726 1.703 -2.623 1.00 0.00 C ATOM 0 H VAL A 43 8.326 0.902 -4.303 1.00 0.00 H new ATOM 0 HA VAL A 43 8.604 0.560 -1.429 1.00 0.00 H new ATOM 0 HB VAL A 43 9.103 2.891 -3.322 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.111 4.048 -1.398 1.00 0.00 H new ATOM 0 HG12 VAL A 43 8.373 3.750 -1.153 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.576 2.729 -0.329 1.00 0.00 H new ATOM 0 HG21 VAL A 43 11.465 2.493 -2.759 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.986 1.109 -1.747 1.00 0.00 H new ATOM 0 HG23 VAL A 43 10.713 1.063 -3.505 1.00 0.00 H new ATOM 625 N VAL A 44 6.177 1.180 -1.038 1.00 0.00 N ATOM 626 CA VAL A 44 4.885 1.692 -0.597 1.00 0.00 C ATOM 627 C VAL A 44 5.030 2.535 0.665 1.00 0.00 C ATOM 628 O VAL A 44 6.094 2.568 1.283 1.00 0.00 O ATOM 629 CB VAL A 44 3.891 0.548 -0.326 1.00 0.00 C ATOM 630 CG1 VAL A 44 2.471 1.085 -0.229 1.00 0.00 C ATOM 631 CG2 VAL A 44 3.995 -0.516 -1.409 1.00 0.00 C ATOM 0 H VAL A 44 6.413 0.258 -0.671 1.00 0.00 H new ATOM 0 HA VAL A 44 4.499 2.315 -1.404 1.00 0.00 H new ATOM 0 HB VAL A 44 4.145 0.088 0.629 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.783 0.262 -0.037 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.410 1.806 0.586 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.201 1.572 -1.166 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.285 -1.317 -1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.768 -0.072 -2.378 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.006 -0.922 -1.424 1.00 0.00 H new ATOM 641 N ILE A 45 3.952 3.215 1.042 1.00 0.00 N ATOM 642 CA ILE A 45 3.959 4.057 2.231 1.00 0.00 C ATOM 643 C ILE A 45 2.679 3.875 3.041 1.00 0.00 C ATOM 644 O ILE A 45 1.623 3.570 2.489 1.00 0.00 O ATOM 645 CB ILE A 45 4.114 5.546 1.867 1.00 0.00 C ATOM 646 CG1 ILE A 45 3.009 5.974 0.899 1.00 0.00 C ATOM 647 CG2 ILE A 45 5.486 5.802 1.261 1.00 0.00 C ATOM 648 CD1 ILE A 45 2.338 7.274 1.285 1.00 0.00 C ATOM 0 H ILE A 45 3.064 3.199 0.541 1.00 0.00 H new ATOM 0 HA ILE A 45 4.814 3.747 2.831 1.00 0.00 H new ATOM 0 HB ILE A 45 4.024 6.140 2.777 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.432 6.075 -0.100 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.257 5.187 0.848 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.581 6.858 1.009 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.258 5.530 1.981 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.603 5.202 0.359 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.566 7.516 0.555 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.885 7.171 2.271 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.079 8.073 1.308 1.00 0.00 H new ATOM 660 N GLN A 46 2.783 4.065 4.352 1.00 0.00 N ATOM 661 CA GLN A 46 1.634 3.922 5.238 1.00 0.00 C ATOM 662 C GLN A 46 0.732 5.150 5.161 1.00 0.00 C ATOM 663 O GLN A 46 0.895 6.100 5.925 1.00 0.00 O ATOM 664 CB GLN A 46 2.097 3.705 6.679 1.00 0.00 C ATOM 665 CG GLN A 46 1.300 2.644 7.421 1.00 0.00 C ATOM 666 CD GLN A 46 -0.128 3.072 7.696 1.00 0.00 C ATOM 667 OE1 GLN A 46 -0.369 4.051 8.403 1.00 0.00 O ATOM 668 NE2 GLN A 46 -1.084 2.340 7.137 1.00 0.00 N ATOM 0 H GLN A 46 3.651 4.318 4.824 1.00 0.00 H new ATOM 0 HA GLN A 46 1.063 3.052 4.913 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.149 3.420 6.675 1.00 0.00 H new ATOM 0 HB3 GLN A 46 2.024 4.648 7.221 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.293 1.725 6.836 1.00 0.00 H new ATOM 0 HG3 GLN A 46 1.795 2.417 8.365 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -0.839 1.537 6.558 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.064 2.581 7.286 1.00 0.00 H new ATOM 677 N ASN A 47 -0.220 5.121 4.233 1.00 0.00 N ATOM 678 CA ASN A 47 -1.148 6.233 4.056 1.00 0.00 C ATOM 679 C ASN A 47 -2.587 5.782 4.286 1.00 0.00 C ATOM 680 O ASN A 47 -3.278 5.376 3.352 1.00 0.00 O ATOM 681 CB ASN A 47 -1.004 6.825 2.653 1.00 0.00 C ATOM 682 CG ASN A 47 -1.187 8.331 2.639 1.00 0.00 C ATOM 683 OD1 ASN A 47 -0.408 9.067 3.245 1.00 0.00 O ATOM 684 ND2 ASN A 47 -2.220 8.795 1.947 1.00 0.00 N ATOM 0 H ASN A 47 -0.369 4.341 3.593 1.00 0.00 H new ATOM 0 HA ASN A 47 -0.905 6.999 4.793 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -0.019 6.578 2.257 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -1.738 6.366 1.991 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -2.394 9.799 1.902 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -2.840 8.148 1.460 1.00 0.00 H new ATOM 691 N GLY A 48 -3.033 5.856 5.536 1.00 0.00 N ATOM 692 CA GLY A 48 -4.387 5.453 5.866 1.00 0.00 C ATOM 693 C GLY A 48 -4.508 3.960 6.097 1.00 0.00 C ATOM 694 O GLY A 48 -3.512 3.249 6.233 1.00 0.00 O ATOM 0 H GLY A 48 -2.480 6.188 6.326 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.713 5.983 6.761 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.057 5.748 5.059 1.00 0.00 H new ATOM 698 N PRO A 49 -5.753 3.463 6.146 1.00 0.00 N ATOM 699 CA PRO A 49 -6.029 2.040 6.364 1.00 0.00 C ATOM 700 C PRO A 49 -5.629 1.182 5.168 1.00 0.00 C ATOM 701 O PRO A 49 -5.793 -0.038 5.184 1.00 0.00 O ATOM 702 CB PRO A 49 -7.546 2.000 6.566 1.00 0.00 C ATOM 703 CG PRO A 49 -8.055 3.204 5.852 1.00 0.00 C ATOM 704 CD PRO A 49 -6.986 4.252 5.992 1.00 0.00 C ATOM 0 HA PRO A 49 -5.462 1.639 7.204 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.976 1.086 6.157 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.805 2.028 7.624 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -8.249 2.982 4.803 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.995 3.546 6.285 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.942 4.900 5.117 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.163 4.894 6.855 1.00 0.00 H new ATOM 712 N TYR A 50 -5.103 1.827 4.133 1.00 0.00 N ATOM 713 CA TYR A 50 -4.681 1.123 2.928 1.00 0.00 C ATOM 714 C TYR A 50 -3.248 1.492 2.555 1.00 0.00 C ATOM 715 O TYR A 50 -2.714 2.502 3.015 1.00 0.00 O ATOM 716 CB TYR A 50 -5.622 1.449 1.766 1.00 0.00 C ATOM 717 CG TYR A 50 -7.073 1.560 2.175 1.00 0.00 C ATOM 718 CD1 TYR A 50 -7.789 0.440 2.579 1.00 0.00 C ATOM 719 CD2 TYR A 50 -7.728 2.785 2.157 1.00 0.00 C ATOM 720 CE1 TYR A 50 -9.116 0.537 2.953 1.00 0.00 C ATOM 721 CE2 TYR A 50 -9.054 2.892 2.530 1.00 0.00 C ATOM 722 CZ TYR A 50 -9.743 1.765 2.927 1.00 0.00 C ATOM 723 OH TYR A 50 -11.064 1.866 3.300 1.00 0.00 O ATOM 0 H TYR A 50 -4.959 2.836 4.104 1.00 0.00 H new ATOM 0 HA TYR A 50 -4.721 0.053 3.130 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.309 2.388 1.309 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -5.526 0.676 1.004 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -7.300 -0.523 2.601 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -7.191 3.669 1.846 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -9.659 -0.344 3.264 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -9.548 3.852 2.511 1.00 0.00 H new ATOM 0 HH TYR A 50 -11.354 2.799 3.226 1.00 0.00 H new ATOM 733 N LEU A 51 -2.631 0.665 1.718 1.00 0.00 N ATOM 734 CA LEU A 51 -1.259 0.902 1.281 1.00 0.00 C ATOM 735 C LEU A 51 -1.233 1.593 -0.079 1.00 0.00 C ATOM 736 O LEU A 51 -1.652 1.020 -1.084 1.00 0.00 O ATOM 737 CB LEU A 51 -0.490 -0.418 1.211 1.00 0.00 C ATOM 738 CG LEU A 51 -0.517 -1.279 2.475 1.00 0.00 C ATOM 739 CD1 LEU A 51 -0.138 -2.715 2.150 1.00 0.00 C ATOM 740 CD2 LEU A 51 0.415 -0.705 3.531 1.00 0.00 C ATOM 0 H LEU A 51 -3.059 -0.175 1.328 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.779 1.556 2.009 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.892 -1.006 0.386 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.549 -0.197 0.968 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.531 -1.274 2.874 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.163 -3.313 3.061 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.846 -3.124 1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.866 -2.739 1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.383 -1.330 4.423 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.433 -0.679 3.142 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.098 0.306 3.785 1.00 0.00 H new ATOM 752 N GLN A 52 -0.735 2.825 -0.101 1.00 0.00 N ATOM 753 CA GLN A 52 -0.652 3.592 -1.338 1.00 0.00 C ATOM 754 C GLN A 52 0.763 3.556 -1.907 1.00 0.00 C ATOM 755 O GLN A 52 1.689 4.124 -1.328 1.00 0.00 O ATOM 756 CB GLN A 52 -1.080 5.040 -1.095 1.00 0.00 C ATOM 757 CG GLN A 52 -2.534 5.312 -1.447 1.00 0.00 C ATOM 758 CD GLN A 52 -2.688 6.419 -2.472 1.00 0.00 C ATOM 759 OE1 GLN A 52 -2.270 7.554 -2.245 1.00 0.00 O ATOM 760 NE2 GLN A 52 -3.292 6.092 -3.609 1.00 0.00 N ATOM 0 H GLN A 52 -0.383 3.313 0.723 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.327 3.138 -2.063 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.916 5.287 -0.046 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.443 5.702 -1.682 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.988 4.399 -1.833 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.079 5.581 -0.542 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.623 5.138 -3.755 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.425 6.795 -4.336 1.00 0.00 H new ATOM 769 N ILE A 53 0.921 2.886 -3.043 1.00 0.00 N ATOM 770 CA ILE A 53 2.223 2.777 -3.691 1.00 0.00 C ATOM 771 C ILE A 53 2.845 4.152 -3.907 1.00 0.00 C ATOM 772 O ILE A 53 2.319 4.972 -4.659 1.00 0.00 O ATOM 773 CB ILE A 53 2.119 2.054 -5.046 1.00 0.00 C ATOM 774 CG1 ILE A 53 1.489 0.671 -4.864 1.00 0.00 C ATOM 775 CG2 ILE A 53 3.492 1.935 -5.690 1.00 0.00 C ATOM 776 CD1 ILE A 53 0.930 0.089 -6.144 1.00 0.00 C ATOM 0 H ILE A 53 0.164 2.410 -3.534 1.00 0.00 H new ATOM 0 HA ILE A 53 2.859 2.193 -3.026 1.00 0.00 H new ATOM 0 HB ILE A 53 1.479 2.641 -5.705 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.238 -0.011 -4.461 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.690 0.739 -4.126 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.402 1.422 -6.647 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.906 2.930 -5.850 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.153 1.368 -5.035 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.500 -0.891 -5.940 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.158 0.750 -6.537 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.730 -0.011 -6.878 1.00 0.00 H new ATOM 788 N SER A 54 3.971 4.397 -3.244 1.00 0.00 N ATOM 789 CA SER A 54 4.666 5.674 -3.362 1.00 0.00 C ATOM 790 C SER A 54 5.706 5.625 -4.477 1.00 0.00 C ATOM 791 O SER A 54 6.003 6.639 -5.110 1.00 0.00 O ATOM 792 CB SER A 54 5.338 6.037 -2.037 1.00 0.00 C ATOM 793 OG SER A 54 6.598 6.647 -2.255 1.00 0.00 O ATOM 0 H SER A 54 4.421 3.728 -2.620 1.00 0.00 H new ATOM 0 HA SER A 54 3.930 6.439 -3.609 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.696 6.713 -1.473 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.465 5.139 -1.432 1.00 0.00 H new ATOM 0 HG SER A 54 6.766 7.310 -1.553 1.00 0.00 H new ATOM 799 N HIS A 55 6.258 4.438 -4.712 1.00 0.00 N ATOM 800 CA HIS A 55 7.266 4.256 -5.750 1.00 0.00 C ATOM 801 C HIS A 55 7.401 2.782 -6.122 1.00 0.00 C ATOM 802 O HIS A 55 7.254 1.901 -5.275 1.00 0.00 O ATOM 803 CB HIS A 55 8.615 4.802 -5.283 1.00 0.00 C ATOM 804 CG HIS A 55 9.787 4.022 -5.795 1.00 0.00 C ATOM 805 ND1 HIS A 55 10.136 2.727 -5.613 1.00 0.00 N flip ATOM 806 CD2 HIS A 55 10.764 4.572 -6.598 1.00 0.00 C flip ATOM 807 CE1 HIS A 55 11.305 2.520 -6.303 1.00 0.00 C flip ATOM 808 NE2 HIS A 55 11.663 3.649 -6.889 1.00 0.00 N flip ATOM 0 H HIS A 55 6.024 3.589 -4.198 1.00 0.00 H new ATOM 0 HA HIS A 55 6.946 4.809 -6.634 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.710 5.839 -5.606 1.00 0.00 H new ATOM 0 HB3 HIS A 55 8.639 4.805 -4.193 1.00 0.00 H new ATOM 0 HD2 HIS A 55 10.790 5.597 -6.936 1.00 0.00 H new ATOM 0 HE1 HIS A 55 11.844 1.586 -6.358 1.00 0.00 H new ATOM 0 HE2 HIS A 55 12.492 3.785 -7.467 1.00 0.00 H new ATOM 817 N LEU A 56 7.682 2.522 -7.394 1.00 0.00 N ATOM 818 CA LEU A 56 7.837 1.155 -7.879 1.00 0.00 C ATOM 819 C LEU A 56 9.309 0.817 -8.095 1.00 0.00 C ATOM 820 O LEU A 56 10.051 1.591 -8.698 1.00 0.00 O ATOM 821 CB LEU A 56 7.062 0.964 -9.184 1.00 0.00 C ATOM 822 CG LEU A 56 5.551 1.184 -9.106 1.00 0.00 C ATOM 823 CD1 LEU A 56 5.025 1.750 -10.415 1.00 0.00 C ATOM 824 CD2 LEU A 56 4.840 -0.117 -8.762 1.00 0.00 C ATOM 0 H LEU A 56 7.807 3.240 -8.108 1.00 0.00 H new ATOM 0 HA LEU A 56 7.435 0.481 -7.123 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.470 1.647 -9.929 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.243 -0.048 -9.546 1.00 0.00 H new ATOM 0 HG LEU A 56 5.349 1.906 -8.315 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.948 1.900 -10.340 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.511 2.704 -10.620 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.239 1.053 -11.225 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.765 0.058 -8.711 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.050 -0.861 -9.531 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.195 -0.482 -7.798 1.00 0.00 H new ATOM 836 N ILE A 57 9.722 -0.345 -7.599 1.00 0.00 N ATOM 837 CA ILE A 57 11.104 -0.786 -7.740 1.00 0.00 C ATOM 838 C ILE A 57 11.440 -1.085 -9.198 1.00 0.00 C ATOM 839 O ILE A 57 11.045 -2.117 -9.737 1.00 0.00 O ATOM 840 CB ILE A 57 11.384 -2.042 -6.893 1.00 0.00 C ATOM 841 CG1 ILE A 57 11.773 -1.646 -5.468 1.00 0.00 C ATOM 842 CG2 ILE A 57 12.480 -2.880 -7.534 1.00 0.00 C ATOM 843 CD1 ILE A 57 10.931 -0.524 -4.901 1.00 0.00 C ATOM 0 H ILE A 57 9.120 -0.997 -7.097 1.00 0.00 H new ATOM 0 HA ILE A 57 11.733 0.030 -7.384 1.00 0.00 H new ATOM 0 HB ILE A 57 10.475 -2.642 -6.848 1.00 0.00 H new ATOM 0 HG12 ILE A 57 11.685 -2.518 -4.820 1.00 0.00 H new ATOM 0 HG13 ILE A 57 12.820 -1.345 -5.456 1.00 0.00 H new ATOM 0 HG21 ILE A 57 12.666 -3.764 -6.924 1.00 0.00 H new ATOM 0 HG22 ILE A 57 12.166 -3.187 -8.532 1.00 0.00 H new ATOM 0 HG23 ILE A 57 13.394 -2.290 -7.607 1.00 0.00 H new ATOM 0 HD11 ILE A 57 11.263 -0.296 -3.888 1.00 0.00 H new ATOM 0 HD12 ILE A 57 11.038 0.363 -5.526 1.00 0.00 H new ATOM 0 HD13 ILE A 57 9.885 -0.829 -4.880 1.00 0.00 H new ATOM 855 N ASN A 58 12.173 -0.173 -9.829 1.00 0.00 N ATOM 856 CA ASN A 58 12.564 -0.340 -11.224 1.00 0.00 C ATOM 857 C ASN A 58 12.989 -1.778 -11.502 1.00 0.00 C ATOM 858 O ASN A 58 12.483 -2.421 -12.422 1.00 0.00 O ATOM 859 CB ASN A 58 13.704 0.618 -11.574 1.00 0.00 C ATOM 860 CG ASN A 58 14.110 0.527 -13.032 1.00 0.00 C ATOM 861 OD1 ASN A 58 13.533 1.193 -13.891 1.00 0.00 O ATOM 862 ND2 ASN A 58 15.107 -0.302 -13.318 1.00 0.00 N ATOM 0 H ASN A 58 12.508 0.688 -9.397 1.00 0.00 H new ATOM 0 HA ASN A 58 11.700 -0.109 -11.847 1.00 0.00 H new ATOM 0 HB2 ASN A 58 13.398 1.640 -11.348 1.00 0.00 H new ATOM 0 HB3 ASN A 58 14.566 0.397 -10.945 1.00 0.00 H new ATOM 0 HD21 ASN A 58 15.423 -0.406 -14.282 1.00 0.00 H new ATOM 0 HD22 ASN A 58 15.557 -0.835 -12.574 1.00 0.00 H new ATOM 869 N LYS A 59 13.924 -2.278 -10.701 1.00 0.00 N ATOM 870 CA LYS A 59 14.418 -3.641 -10.858 1.00 0.00 C ATOM 871 C LYS A 59 13.431 -4.648 -10.274 1.00 0.00 C ATOM 872 O LYS A 59 13.821 -5.572 -9.562 1.00 0.00 O ATOM 873 CB LYS A 59 15.780 -3.793 -10.178 1.00 0.00 C ATOM 874 CG LYS A 59 16.778 -2.717 -10.569 1.00 0.00 C ATOM 875 CD LYS A 59 17.753 -3.216 -11.622 1.00 0.00 C ATOM 876 CE LYS A 59 18.125 -2.115 -12.604 1.00 0.00 C ATOM 877 NZ LYS A 59 17.505 -2.332 -13.940 1.00 0.00 N ATOM 0 H LYS A 59 14.355 -1.759 -9.936 1.00 0.00 H new ATOM 0 HA LYS A 59 14.527 -3.841 -11.924 1.00 0.00 H new ATOM 0 HB2 LYS A 59 15.641 -3.773 -9.097 1.00 0.00 H new ATOM 0 HB3 LYS A 59 16.195 -4.770 -10.428 1.00 0.00 H new ATOM 0 HG2 LYS A 59 16.245 -1.846 -10.950 1.00 0.00 H new ATOM 0 HG3 LYS A 59 17.329 -2.393 -9.686 1.00 0.00 H new ATOM 0 HD2 LYS A 59 18.654 -3.591 -11.136 1.00 0.00 H new ATOM 0 HD3 LYS A 59 17.310 -4.052 -12.162 1.00 0.00 H new ATOM 0 HE2 LYS A 59 17.806 -1.151 -12.207 1.00 0.00 H new ATOM 0 HE3 LYS A 59 19.209 -2.073 -12.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 17.741 -1.535 -14.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 17.868 -3.215 -14.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 16.472 -2.398 -13.837 1.00 0.00 H new ATOM 891 N GLY A 60 12.151 -4.462 -10.582 1.00 0.00 N ATOM 892 CA GLY A 60 11.130 -5.363 -10.081 1.00 0.00 C ATOM 893 C GLY A 60 10.099 -5.715 -11.135 1.00 0.00 C ATOM 894 O GLY A 60 10.364 -5.607 -12.332 1.00 0.00 O ATOM 0 H GLY A 60 11.803 -3.704 -11.169 1.00 0.00 H new ATOM 0 HA2 GLY A 60 11.602 -6.277 -9.719 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.631 -4.903 -9.228 1.00 0.00 H new ATOM 898 N ALA A 61 8.921 -6.139 -10.691 1.00 0.00 N ATOM 899 CA ALA A 61 7.847 -6.508 -11.605 1.00 0.00 C ATOM 900 C ALA A 61 6.864 -5.357 -11.790 1.00 0.00 C ATOM 901 O ALA A 61 6.444 -5.061 -12.908 1.00 0.00 O ATOM 902 CB ALA A 61 7.123 -7.746 -11.096 1.00 0.00 C ATOM 0 H ALA A 61 8.686 -6.236 -9.703 1.00 0.00 H new ATOM 0 HA ALA A 61 8.290 -6.733 -12.575 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.324 -8.010 -11.788 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.827 -8.575 -11.022 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.699 -7.541 -10.113 1.00 0.00 H new ATOM 908 N ALA A 62 6.502 -4.710 -10.687 1.00 0.00 N ATOM 909 CA ALA A 62 5.569 -3.591 -10.729 1.00 0.00 C ATOM 910 C ALA A 62 6.143 -2.429 -11.533 1.00 0.00 C ATOM 911 O ALA A 62 5.475 -1.877 -12.407 1.00 0.00 O ATOM 912 CB ALA A 62 5.224 -3.139 -9.318 1.00 0.00 C ATOM 0 H ALA A 62 6.841 -4.942 -9.753 1.00 0.00 H new ATOM 0 HA ALA A 62 4.658 -3.927 -11.224 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.526 -2.303 -9.364 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.765 -3.964 -8.773 1.00 0.00 H new ATOM 0 HB3 ALA A 62 6.133 -2.826 -8.804 1.00 0.00 H new ATOM 918 N ALA A 63 7.384 -2.062 -11.232 1.00 0.00 N ATOM 919 CA ALA A 63 8.047 -0.967 -11.928 1.00 0.00 C ATOM 920 C ALA A 63 8.174 -1.260 -13.419 1.00 0.00 C ATOM 921 O ALA A 63 8.444 -0.363 -14.217 1.00 0.00 O ATOM 922 CB ALA A 63 9.418 -0.709 -11.320 1.00 0.00 C ATOM 0 H ALA A 63 7.951 -2.507 -10.510 1.00 0.00 H new ATOM 0 HA ALA A 63 7.435 -0.072 -11.812 1.00 0.00 H new ATOM 0 HB1 ALA A 63 9.902 0.111 -11.850 1.00 0.00 H new ATOM 0 HB2 ALA A 63 9.306 -0.446 -10.268 1.00 0.00 H new ATOM 0 HB3 ALA A 63 10.029 -1.607 -11.406 1.00 0.00 H new ATOM 928 N SER A 64 7.979 -2.523 -13.787 1.00 0.00 N ATOM 929 CA SER A 64 8.076 -2.935 -15.182 1.00 0.00 C ATOM 930 C SER A 64 6.690 -3.119 -15.792 1.00 0.00 C ATOM 931 O SER A 64 6.557 -3.497 -16.956 1.00 0.00 O ATOM 932 CB SER A 64 8.873 -4.236 -15.297 1.00 0.00 C ATOM 933 OG SER A 64 10.196 -3.987 -15.741 1.00 0.00 O ATOM 0 H SER A 64 7.753 -3.277 -13.139 1.00 0.00 H new ATOM 0 HA SER A 64 8.594 -2.150 -15.732 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.899 -4.737 -14.329 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.374 -4.911 -15.992 1.00 0.00 H new ATOM 0 HG SER A 64 10.685 -4.834 -15.804 1.00 0.00 H new ATOM 939 N ASP A 65 5.660 -2.849 -14.997 1.00 0.00 N ATOM 940 CA ASP A 65 4.283 -2.983 -15.458 1.00 0.00 C ATOM 941 C ASP A 65 3.643 -1.613 -15.662 1.00 0.00 C ATOM 942 O ASP A 65 3.339 -0.909 -14.701 1.00 0.00 O ATOM 943 CB ASP A 65 3.465 -3.797 -14.455 1.00 0.00 C ATOM 944 CG ASP A 65 2.954 -5.097 -15.045 1.00 0.00 C ATOM 945 OD1 ASP A 65 3.773 -6.016 -15.252 1.00 0.00 O ATOM 946 OD2 ASP A 65 1.735 -5.195 -15.300 1.00 0.00 O ATOM 0 H ASP A 65 5.753 -2.536 -14.031 1.00 0.00 H new ATOM 0 HA ASP A 65 4.295 -3.505 -16.415 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.079 -4.014 -13.581 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.620 -3.201 -14.110 1.00 0.00 H new ATOM 951 N GLY A 66 3.442 -1.242 -16.923 1.00 0.00 N ATOM 952 CA GLY A 66 2.840 0.042 -17.232 1.00 0.00 C ATOM 953 C GLY A 66 1.416 0.152 -16.723 1.00 0.00 C ATOM 954 O GLY A 66 0.815 1.226 -16.769 1.00 0.00 O ATOM 0 H GLY A 66 3.685 -1.808 -17.736 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.442 0.837 -16.793 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.850 0.194 -18.311 1.00 0.00 H new ATOM 958 N ILE A 67 0.875 -0.961 -16.239 1.00 0.00 N ATOM 959 CA ILE A 67 -0.488 -0.984 -15.721 1.00 0.00 C ATOM 960 C ILE A 67 -0.549 -0.411 -14.310 1.00 0.00 C ATOM 961 O ILE A 67 -1.319 0.510 -14.035 1.00 0.00 O ATOM 962 CB ILE A 67 -1.060 -2.414 -15.708 1.00 0.00 C ATOM 963 CG1 ILE A 67 -1.406 -2.861 -17.130 1.00 0.00 C ATOM 964 CG2 ILE A 67 -2.287 -2.484 -14.811 1.00 0.00 C ATOM 965 CD1 ILE A 67 -0.243 -3.489 -17.865 1.00 0.00 C ATOM 0 H ILE A 67 1.359 -1.858 -16.195 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.090 -0.366 -16.387 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.303 -3.090 -15.309 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.228 -3.576 -17.088 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.761 -2.000 -17.697 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.681 -3.500 -14.812 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.011 -2.202 -13.795 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.049 -1.800 -15.183 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.560 -3.782 -18.866 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.572 -2.769 -17.939 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.099 -4.369 -17.321 1.00 0.00 H new ATOM 977 N LEU A 68 0.268 -0.960 -13.418 1.00 0.00 N ATOM 978 CA LEU A 68 0.309 -0.503 -12.034 1.00 0.00 C ATOM 979 C LEU A 68 1.220 0.713 -11.888 1.00 0.00 C ATOM 980 O LEU A 68 2.401 0.659 -12.231 1.00 0.00 O ATOM 981 CB LEU A 68 0.792 -1.628 -11.118 1.00 0.00 C ATOM 982 CG LEU A 68 -0.035 -2.914 -11.140 1.00 0.00 C ATOM 983 CD1 LEU A 68 0.528 -3.929 -10.157 1.00 0.00 C ATOM 984 CD2 LEU A 68 -1.493 -2.615 -10.825 1.00 0.00 C ATOM 0 H LEU A 68 0.911 -1.723 -13.629 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.701 -0.215 -11.743 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.818 -1.875 -11.390 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.815 -1.252 -10.095 1.00 0.00 H new ATOM 0 HG LEU A 68 0.020 -3.341 -12.141 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.074 -4.837 -10.187 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.557 -4.166 -10.428 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.505 -3.512 -9.150 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.067 -3.541 -10.845 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.566 -2.164 -9.835 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.892 -1.925 -11.569 1.00 0.00 H new ATOM 996 N GLN A 69 0.662 1.805 -11.377 1.00 0.00 N ATOM 997 CA GLN A 69 1.425 3.033 -11.185 1.00 0.00 C ATOM 998 C GLN A 69 1.594 3.343 -9.701 1.00 0.00 C ATOM 999 O GLN A 69 0.838 2.868 -8.853 1.00 0.00 O ATOM 1000 CB GLN A 69 0.734 4.203 -11.887 1.00 0.00 C ATOM 1001 CG GLN A 69 1.151 4.374 -13.339 1.00 0.00 C ATOM 1002 CD GLN A 69 0.068 5.011 -14.187 1.00 0.00 C ATOM 1003 OE1 GLN A 69 -0.302 6.166 -13.977 1.00 0.00 O ATOM 1004 NE2 GLN A 69 -0.448 4.258 -15.152 1.00 0.00 N ATOM 0 H GLN A 69 -0.315 1.865 -11.089 1.00 0.00 H new ATOM 0 HA GLN A 69 2.413 2.889 -11.622 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -0.345 4.056 -11.843 1.00 0.00 H new ATOM 0 HB3 GLN A 69 0.953 5.122 -11.344 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.051 4.988 -13.385 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.408 3.400 -13.756 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -0.111 3.305 -15.291 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -1.181 4.633 -15.754 1.00 0.00 H new ATOM 1013 N PRO A 70 2.609 4.158 -9.378 1.00 0.00 N ATOM 1014 CA PRO A 70 2.900 4.550 -7.996 1.00 0.00 C ATOM 1015 C PRO A 70 1.839 5.483 -7.422 1.00 0.00 C ATOM 1016 O PRO A 70 2.029 6.697 -7.370 1.00 0.00 O ATOM 1017 CB PRO A 70 4.244 5.274 -8.109 1.00 0.00 C ATOM 1018 CG PRO A 70 4.288 5.777 -9.510 1.00 0.00 C ATOM 1019 CD PRO A 70 3.550 4.761 -10.338 1.00 0.00 C ATOM 0 HA PRO A 70 2.917 3.692 -7.324 1.00 0.00 H new ATOM 0 HB2 PRO A 70 4.314 6.092 -7.392 1.00 0.00 H new ATOM 0 HB3 PRO A 70 5.075 4.599 -7.905 1.00 0.00 H new ATOM 0 HG2 PRO A 70 3.819 6.758 -9.587 1.00 0.00 H new ATOM 0 HG3 PRO A 70 5.317 5.887 -9.853 1.00 0.00 H new ATOM 0 HD2 PRO A 70 3.028 5.226 -11.174 1.00 0.00 H new ATOM 0 HD3 PRO A 70 4.227 4.017 -10.759 1.00 0.00 H new ATOM 1027 N GLY A 71 0.721 4.906 -6.991 1.00 0.00 N ATOM 1028 CA GLY A 71 -0.353 5.701 -6.426 1.00 0.00 C ATOM 1029 C GLY A 71 -1.680 4.967 -6.427 1.00 0.00 C ATOM 1030 O GLY A 71 -2.735 5.579 -6.595 1.00 0.00 O ATOM 0 H GLY A 71 0.540 3.903 -7.023 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.096 5.979 -5.404 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -0.453 6.627 -6.993 1.00 0.00 H new ATOM 1034 N ASP A 72 -1.627 3.653 -6.240 1.00 0.00 N ATOM 1035 CA ASP A 72 -2.834 2.835 -6.220 1.00 0.00 C ATOM 1036 C ASP A 72 -3.085 2.270 -4.825 1.00 0.00 C ATOM 1037 O ASP A 72 -2.279 2.459 -3.914 1.00 0.00 O ATOM 1038 CB ASP A 72 -2.718 1.694 -7.232 1.00 0.00 C ATOM 1039 CG ASP A 72 -2.700 2.191 -8.665 1.00 0.00 C ATOM 1040 OD1 ASP A 72 -1.764 2.936 -9.023 1.00 0.00 O ATOM 1041 OD2 ASP A 72 -3.622 1.834 -9.428 1.00 0.00 O ATOM 0 H ASP A 72 -0.762 3.132 -6.100 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.678 3.469 -6.493 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.807 1.129 -7.035 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.554 1.008 -7.099 1.00 0.00 H new ATOM 1046 N VAL A 73 -4.208 1.578 -4.666 1.00 0.00 N ATOM 1047 CA VAL A 73 -4.566 0.986 -3.383 1.00 0.00 C ATOM 1048 C VAL A 73 -4.782 -0.518 -3.512 1.00 0.00 C ATOM 1049 O VAL A 73 -5.865 -0.971 -3.887 1.00 0.00 O ATOM 1050 CB VAL A 73 -5.841 1.628 -2.804 1.00 0.00 C ATOM 1051 CG1 VAL A 73 -6.393 0.787 -1.664 1.00 0.00 C ATOM 1052 CG2 VAL A 73 -5.557 3.049 -2.340 1.00 0.00 C ATOM 0 H VAL A 73 -4.886 1.413 -5.410 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.733 1.174 -2.705 1.00 0.00 H new ATOM 0 HB VAL A 73 -6.595 1.670 -3.590 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -7.293 1.257 -1.268 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -6.636 -0.210 -2.032 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.646 0.710 -0.874 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -6.468 3.488 -1.934 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.787 3.033 -1.569 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -5.212 3.645 -3.185 1.00 0.00 H new ATOM 1062 N LEU A 74 -3.746 -1.288 -3.200 1.00 0.00 N ATOM 1063 CA LEU A 74 -3.821 -2.742 -3.281 1.00 0.00 C ATOM 1064 C LEU A 74 -4.950 -3.278 -2.406 1.00 0.00 C ATOM 1065 O LEU A 74 -5.153 -2.813 -1.284 1.00 0.00 O ATOM 1066 CB LEU A 74 -2.491 -3.366 -2.855 1.00 0.00 C ATOM 1067 CG LEU A 74 -1.235 -2.763 -3.485 1.00 0.00 C ATOM 1068 CD1 LEU A 74 0.014 -3.414 -2.913 1.00 0.00 C ATOM 1069 CD2 LEU A 74 -1.272 -2.912 -4.999 1.00 0.00 C ATOM 0 H LEU A 74 -2.843 -0.929 -2.888 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.027 -3.013 -4.316 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.405 -3.285 -1.771 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.518 -4.429 -3.094 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.207 -1.700 -3.246 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.898 -2.972 -3.373 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.047 -3.253 -1.835 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.006 -4.484 -3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.370 -2.477 -5.430 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.325 -3.969 -5.259 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.147 -2.397 -5.394 1.00 0.00 H new ATOM 1081 N ILE A 75 -5.680 -4.260 -2.926 1.00 0.00 N ATOM 1082 CA ILE A 75 -6.785 -4.861 -2.190 1.00 0.00 C ATOM 1083 C ILE A 75 -6.780 -6.379 -2.334 1.00 0.00 C ATOM 1084 O ILE A 75 -7.817 -7.029 -2.202 1.00 0.00 O ATOM 1085 CB ILE A 75 -8.143 -4.316 -2.671 1.00 0.00 C ATOM 1086 CG1 ILE A 75 -8.109 -2.787 -2.738 1.00 0.00 C ATOM 1087 CG2 ILE A 75 -9.259 -4.785 -1.749 1.00 0.00 C ATOM 1088 CD1 ILE A 75 -8.121 -2.245 -4.150 1.00 0.00 C ATOM 0 H ILE A 75 -5.526 -4.656 -3.853 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.647 -4.597 -1.141 1.00 0.00 H new ATOM 0 HB ILE A 75 -8.338 -4.701 -3.672 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -8.967 -2.388 -2.197 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.215 -2.429 -2.227 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -10.212 -4.392 -2.102 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -9.295 -5.874 -1.746 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -9.071 -4.425 -0.737 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -8.095 -1.156 -4.122 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -7.249 -2.615 -4.689 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -9.028 -2.574 -4.658 1.00 0.00 H new ATOM 1100 N SER A 76 -5.605 -6.938 -2.604 1.00 0.00 N ATOM 1101 CA SER A 76 -5.465 -8.380 -2.768 1.00 0.00 C ATOM 1102 C SER A 76 -4.185 -8.719 -3.527 1.00 0.00 C ATOM 1103 O SER A 76 -4.224 -9.068 -4.708 1.00 0.00 O ATOM 1104 CB SER A 76 -6.676 -8.952 -3.507 1.00 0.00 C ATOM 1105 OG SER A 76 -7.140 -8.051 -4.498 1.00 0.00 O ATOM 0 H SER A 76 -4.736 -6.415 -2.714 1.00 0.00 H new ATOM 0 HA SER A 76 -5.409 -8.829 -1.776 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.408 -9.901 -3.971 1.00 0.00 H new ATOM 0 HB3 SER A 76 -7.476 -9.159 -2.796 1.00 0.00 H new ATOM 0 HG SER A 76 -7.914 -8.440 -4.957 1.00 0.00 H new ATOM 1111 N VAL A 77 -3.052 -8.613 -2.841 1.00 0.00 N ATOM 1112 CA VAL A 77 -1.760 -8.908 -3.449 1.00 0.00 C ATOM 1113 C VAL A 77 -1.306 -10.325 -3.115 1.00 0.00 C ATOM 1114 O VAL A 77 -1.043 -10.647 -1.957 1.00 0.00 O ATOM 1115 CB VAL A 77 -0.680 -7.913 -2.985 1.00 0.00 C ATOM 1116 CG1 VAL A 77 0.705 -8.412 -3.365 1.00 0.00 C ATOM 1117 CG2 VAL A 77 -0.939 -6.534 -3.575 1.00 0.00 C ATOM 0 H VAL A 77 -3.002 -8.325 -1.864 1.00 0.00 H new ATOM 0 HA VAL A 77 -1.890 -8.815 -4.527 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.726 -7.834 -1.899 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.455 -7.696 -3.029 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.887 -9.377 -2.891 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.768 -8.522 -4.448 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.167 -5.843 -3.237 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.921 -6.595 -4.663 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.915 -6.176 -3.248 1.00 0.00 H new ATOM 1127 N GLY A 78 -1.216 -11.169 -4.139 1.00 0.00 N ATOM 1128 CA GLY A 78 -0.794 -12.542 -3.933 1.00 0.00 C ATOM 1129 C GLY A 78 -1.858 -13.380 -3.252 1.00 0.00 C ATOM 1130 O GLY A 78 -1.553 -14.193 -2.379 1.00 0.00 O ATOM 0 H GLY A 78 -1.428 -10.926 -5.107 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.544 -12.990 -4.895 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.114 -12.553 -3.330 1.00 0.00 H new ATOM 1134 N HIS A 79 -3.110 -13.182 -3.651 1.00 0.00 N ATOM 1135 CA HIS A 79 -4.223 -13.926 -3.072 1.00 0.00 C ATOM 1136 C HIS A 79 -4.328 -13.667 -1.572 1.00 0.00 C ATOM 1137 O HIS A 79 -4.939 -14.444 -0.840 1.00 0.00 O ATOM 1138 CB HIS A 79 -4.055 -15.423 -3.333 1.00 0.00 C ATOM 1139 CG HIS A 79 -5.336 -16.120 -3.670 1.00 0.00 C ATOM 1140 ND1 HIS A 79 -5.839 -17.170 -2.932 1.00 0.00 N ATOM 1141 CD2 HIS A 79 -6.220 -15.911 -4.674 1.00 0.00 C ATOM 1142 CE1 HIS A 79 -6.976 -17.578 -3.468 1.00 0.00 C ATOM 1143 NE2 HIS A 79 -7.230 -16.830 -4.526 1.00 0.00 N ATOM 0 H HIS A 79 -3.379 -12.513 -4.372 1.00 0.00 H new ATOM 0 HA HIS A 79 -5.142 -13.584 -3.547 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -3.349 -15.564 -4.151 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -3.618 -15.890 -2.451 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -6.145 -15.161 -5.448 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -7.593 -18.386 -3.103 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -8.044 -16.920 -5.134 1.00 0.00 H new ATOM 1152 N ALA A 80 -3.727 -12.570 -1.122 1.00 0.00 N ATOM 1153 CA ALA A 80 -3.753 -12.209 0.290 1.00 0.00 C ATOM 1154 C ALA A 80 -4.401 -10.844 0.495 1.00 0.00 C ATOM 1155 O ALA A 80 -3.779 -9.810 0.260 1.00 0.00 O ATOM 1156 CB ALA A 80 -2.344 -12.218 0.864 1.00 0.00 C ATOM 0 H ALA A 80 -3.216 -11.916 -1.715 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.353 -12.950 0.818 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.379 -11.946 1.919 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.915 -13.215 0.760 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.727 -11.499 0.325 1.00 0.00 H new ATOM 1162 N ASN A 81 -5.656 -10.850 0.934 1.00 0.00 N ATOM 1163 CA ASN A 81 -6.389 -9.611 1.169 1.00 0.00 C ATOM 1164 C ASN A 81 -5.528 -8.605 1.927 1.00 0.00 C ATOM 1165 O ASN A 81 -5.517 -8.584 3.158 1.00 0.00 O ATOM 1166 CB ASN A 81 -7.672 -9.895 1.953 1.00 0.00 C ATOM 1167 CG ASN A 81 -8.405 -8.625 2.340 1.00 0.00 C ATOM 1168 OD1 ASN A 81 -9.494 -8.334 1.638 1.00 0.00 O flip ATOM 1169 ND2 ASN A 81 -7.998 -7.915 3.259 1.00 0.00 N flip ATOM 0 H ASN A 81 -6.186 -11.698 1.134 1.00 0.00 H new ATOM 0 HA ASN A 81 -6.650 -9.182 0.201 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -8.330 -10.523 1.352 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -7.427 -10.459 2.853 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -7.156 -8.177 3.772 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -8.503 -7.064 3.508 1.00 0.00 H new ATOM 1176 N VAL A 82 -4.807 -7.772 1.183 1.00 0.00 N ATOM 1177 CA VAL A 82 -3.944 -6.762 1.784 1.00 0.00 C ATOM 1178 C VAL A 82 -4.694 -5.451 1.990 1.00 0.00 C ATOM 1179 O VAL A 82 -4.084 -4.396 2.172 1.00 0.00 O ATOM 1180 CB VAL A 82 -2.700 -6.499 0.916 1.00 0.00 C ATOM 1181 CG1 VAL A 82 -1.904 -7.780 0.720 1.00 0.00 C ATOM 1182 CG2 VAL A 82 -3.102 -5.901 -0.424 1.00 0.00 C ATOM 0 H VAL A 82 -4.804 -7.777 0.163 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.627 -7.151 2.751 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.064 -5.780 1.433 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.029 -7.574 0.104 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.584 -8.161 1.690 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.528 -8.524 0.226 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.210 -5.722 -1.025 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.760 -6.594 -0.949 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.624 -4.959 -0.260 1.00 0.00 H new ATOM 1192 N LEU A 83 -6.020 -5.523 1.960 1.00 0.00 N ATOM 1193 CA LEU A 83 -6.855 -4.341 2.144 1.00 0.00 C ATOM 1194 C LEU A 83 -6.448 -3.577 3.400 1.00 0.00 C ATOM 1195 O LEU A 83 -6.295 -2.356 3.374 1.00 0.00 O ATOM 1196 CB LEU A 83 -8.329 -4.742 2.233 1.00 0.00 C ATOM 1197 CG LEU A 83 -9.313 -3.854 1.471 1.00 0.00 C ATOM 1198 CD1 LEU A 83 -10.666 -4.538 1.350 1.00 0.00 C ATOM 1199 CD2 LEU A 83 -9.455 -2.504 2.159 1.00 0.00 C ATOM 0 H LEU A 83 -6.540 -6.387 1.810 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.713 -3.689 1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -8.430 -5.762 1.864 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.619 -4.753 3.284 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.922 -3.689 0.467 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -11.353 -3.891 0.805 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -10.551 -5.480 0.813 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -11.065 -4.734 2.345 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.159 -1.885 1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -9.823 -2.650 3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.484 -2.009 2.193 1.00 0.00 H new ATOM 1211 N GLY A 84 -6.271 -4.305 4.499 1.00 0.00 N ATOM 1212 CA GLY A 84 -5.881 -3.679 5.749 1.00 0.00 C ATOM 1213 C GLY A 84 -4.440 -3.972 6.119 1.00 0.00 C ATOM 1214 O GLY A 84 -4.041 -3.802 7.271 1.00 0.00 O ATOM 0 H GLY A 84 -6.391 -5.317 4.546 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.021 -2.601 5.671 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.536 -4.029 6.547 1.00 0.00 H new ATOM 1218 N TYR A 85 -3.659 -4.416 5.141 1.00 0.00 N ATOM 1219 CA TYR A 85 -2.255 -4.738 5.371 1.00 0.00 C ATOM 1220 C TYR A 85 -1.418 -3.469 5.494 1.00 0.00 C ATOM 1221 O TYR A 85 -1.510 -2.567 4.661 1.00 0.00 O ATOM 1222 CB TYR A 85 -1.717 -5.610 4.235 1.00 0.00 C ATOM 1223 CG TYR A 85 -1.562 -7.066 4.611 1.00 0.00 C ATOM 1224 CD1 TYR A 85 -2.507 -7.704 5.405 1.00 0.00 C ATOM 1225 CD2 TYR A 85 -0.469 -7.804 4.173 1.00 0.00 C ATOM 1226 CE1 TYR A 85 -2.369 -9.034 5.751 1.00 0.00 C ATOM 1227 CE2 TYR A 85 -0.323 -9.135 4.513 1.00 0.00 C ATOM 1228 CZ TYR A 85 -1.275 -9.746 5.303 1.00 0.00 C ATOM 1229 OH TYR A 85 -1.133 -11.071 5.645 1.00 0.00 O ATOM 0 H TYR A 85 -3.974 -4.561 4.182 1.00 0.00 H new ATOM 0 HA TYR A 85 -2.184 -5.290 6.308 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -2.389 -5.534 3.380 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.750 -5.221 3.916 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -3.364 -7.150 5.758 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.279 -7.329 3.556 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -3.113 -9.514 6.369 1.00 0.00 H new ATOM 0 HE2 TYR A 85 0.532 -9.694 4.162 1.00 0.00 H new ATOM 0 HH TYR A 85 -0.310 -11.425 5.248 1.00 0.00 H new ATOM 1239 N THR A 86 -0.599 -3.407 6.539 1.00 0.00 N ATOM 1240 CA THR A 86 0.255 -2.249 6.773 1.00 0.00 C ATOM 1241 C THR A 86 1.579 -2.384 6.029 1.00 0.00 C ATOM 1242 O THR A 86 1.835 -3.395 5.375 1.00 0.00 O ATOM 1243 CB THR A 86 0.540 -2.055 8.274 1.00 0.00 C ATOM 1244 OG1 THR A 86 1.742 -2.743 8.638 1.00 0.00 O ATOM 1245 CG2 THR A 86 -0.619 -2.568 9.115 1.00 0.00 C ATOM 0 H THR A 86 -0.509 -4.145 7.237 1.00 0.00 H new ATOM 0 HA THR A 86 -0.283 -1.378 6.398 1.00 0.00 H new ATOM 0 HB THR A 86 0.662 -0.988 8.463 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.917 -2.613 9.594 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.395 -2.421 10.172 1.00 0.00 H new ATOM 0 HG22 THR A 86 -1.526 -2.022 8.856 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.768 -3.630 8.920 1.00 0.00 H new ATOM 1253 N LEU A 87 2.418 -1.359 6.135 1.00 0.00 N ATOM 1254 CA LEU A 87 3.718 -1.364 5.472 1.00 0.00 C ATOM 1255 C LEU A 87 4.562 -2.546 5.937 1.00 0.00 C ATOM 1256 O LEU A 87 5.205 -3.218 5.131 1.00 0.00 O ATOM 1257 CB LEU A 87 4.458 -0.054 5.749 1.00 0.00 C ATOM 1258 CG LEU A 87 5.473 0.380 4.691 1.00 0.00 C ATOM 1259 CD1 LEU A 87 4.857 0.314 3.302 1.00 0.00 C ATOM 1260 CD2 LEU A 87 5.981 1.784 4.984 1.00 0.00 C ATOM 0 H LEU A 87 2.222 -0.515 6.673 1.00 0.00 H new ATOM 0 HA LEU A 87 3.551 -1.461 4.399 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.720 0.740 5.863 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.976 -0.147 6.704 1.00 0.00 H new ATOM 0 HG LEU A 87 6.320 -0.306 4.724 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.594 0.626 2.562 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.542 -0.708 3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.993 0.977 3.255 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.702 2.077 4.221 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.144 2.482 4.979 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.461 1.800 5.962 1.00 0.00 H new ATOM 1272 N ARG A 88 4.554 -2.795 7.243 1.00 0.00 N ATOM 1273 CA ARG A 88 5.318 -3.897 7.815 1.00 0.00 C ATOM 1274 C ARG A 88 4.705 -5.240 7.432 1.00 0.00 C ATOM 1275 O ARG A 88 5.401 -6.139 6.961 1.00 0.00 O ATOM 1276 CB ARG A 88 5.378 -3.767 9.338 1.00 0.00 C ATOM 1277 CG ARG A 88 6.364 -2.716 9.822 1.00 0.00 C ATOM 1278 CD ARG A 88 6.206 -2.448 11.311 1.00 0.00 C ATOM 1279 NE ARG A 88 7.348 -1.721 11.859 1.00 0.00 N ATOM 1280 CZ ARG A 88 7.446 -1.362 13.134 1.00 0.00 C ATOM 1281 NH1 ARG A 88 6.476 -1.660 13.988 1.00 0.00 N ATOM 1282 NH2 ARG A 88 8.517 -0.702 13.558 1.00 0.00 N ATOM 0 H ARG A 88 4.027 -2.249 7.924 1.00 0.00 H new ATOM 0 HA ARG A 88 6.330 -3.852 7.413 1.00 0.00 H new ATOM 0 HB2 ARG A 88 4.384 -3.520 9.712 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.650 -4.732 9.766 1.00 0.00 H new ATOM 0 HG2 ARG A 88 7.382 -3.048 9.617 1.00 0.00 H new ATOM 0 HG3 ARG A 88 6.213 -1.790 9.266 1.00 0.00 H new ATOM 0 HD2 ARG A 88 5.295 -1.874 11.482 1.00 0.00 H new ATOM 0 HD3 ARG A 88 6.091 -3.394 11.840 1.00 0.00 H new ATOM 0 HE ARG A 88 8.111 -1.476 11.229 1.00 0.00 H new ATOM 0 HH11 ARG A 88 5.651 -2.167 13.666 1.00 0.00 H new ATOM 0 HH12 ARG A 88 6.555 -1.383 14.966 1.00 0.00 H new ATOM 0 HH21 ARG A 88 9.265 -0.470 12.905 1.00 0.00 H new ATOM 0 HH22 ARG A 88 8.592 -0.427 14.537 1.00 0.00 H new ATOM 1296 N GLU A 89 3.398 -5.369 7.639 1.00 0.00 N ATOM 1297 CA GLU A 89 2.693 -6.604 7.316 1.00 0.00 C ATOM 1298 C GLU A 89 2.719 -6.869 5.814 1.00 0.00 C ATOM 1299 O GLU A 89 2.600 -8.011 5.371 1.00 0.00 O ATOM 1300 CB GLU A 89 1.245 -6.533 7.807 1.00 0.00 C ATOM 1301 CG GLU A 89 1.120 -6.397 9.315 1.00 0.00 C ATOM 1302 CD GLU A 89 0.698 -7.690 9.985 1.00 0.00 C ATOM 1303 OE1 GLU A 89 1.588 -8.491 10.342 1.00 0.00 O ATOM 1304 OE2 GLU A 89 -0.521 -7.902 10.152 1.00 0.00 O ATOM 0 H GLU A 89 2.807 -4.635 8.028 1.00 0.00 H new ATOM 0 HA GLU A 89 3.202 -7.425 7.821 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.750 -5.686 7.332 1.00 0.00 H new ATOM 0 HB3 GLU A 89 0.717 -7.431 7.487 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.076 -6.074 9.727 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.393 -5.618 9.547 1.00 0.00 H new ATOM 1311 N PHE A 90 2.874 -5.804 5.034 1.00 0.00 N ATOM 1312 CA PHE A 90 2.915 -5.920 3.581 1.00 0.00 C ATOM 1313 C PHE A 90 4.297 -6.363 3.109 1.00 0.00 C ATOM 1314 O PHE A 90 4.459 -7.457 2.567 1.00 0.00 O ATOM 1315 CB PHE A 90 2.545 -4.585 2.931 1.00 0.00 C ATOM 1316 CG PHE A 90 2.370 -4.671 1.441 1.00 0.00 C ATOM 1317 CD1 PHE A 90 1.401 -5.495 0.891 1.00 0.00 C ATOM 1318 CD2 PHE A 90 3.175 -3.929 0.592 1.00 0.00 C ATOM 1319 CE1 PHE A 90 1.239 -5.577 -0.479 1.00 0.00 C ATOM 1320 CE2 PHE A 90 3.016 -4.007 -0.779 1.00 0.00 C ATOM 1321 CZ PHE A 90 2.046 -4.831 -1.315 1.00 0.00 C ATOM 0 H PHE A 90 2.973 -4.851 5.384 1.00 0.00 H new ATOM 0 HA PHE A 90 2.189 -6.676 3.281 1.00 0.00 H new ATOM 0 HB2 PHE A 90 1.621 -4.217 3.377 1.00 0.00 H new ATOM 0 HB3 PHE A 90 3.321 -3.853 3.156 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.766 -6.079 1.540 1.00 0.00 H new ATOM 0 HD2 PHE A 90 3.935 -3.283 1.006 1.00 0.00 H new ATOM 0 HE1 PHE A 90 0.481 -6.224 -0.896 1.00 0.00 H new ATOM 0 HE2 PHE A 90 3.650 -3.424 -1.431 1.00 0.00 H new ATOM 0 HZ PHE A 90 1.919 -4.892 -2.386 1.00 0.00 H new ATOM 1331 N LEU A 91 5.289 -5.505 3.317 1.00 0.00 N ATOM 1332 CA LEU A 91 6.658 -5.806 2.913 1.00 0.00 C ATOM 1333 C LEU A 91 7.053 -7.217 3.337 1.00 0.00 C ATOM 1334 O LEU A 91 7.790 -7.906 2.631 1.00 0.00 O ATOM 1335 CB LEU A 91 7.626 -4.789 3.522 1.00 0.00 C ATOM 1336 CG LEU A 91 7.899 -3.539 2.685 1.00 0.00 C ATOM 1337 CD1 LEU A 91 8.514 -3.916 1.346 1.00 0.00 C ATOM 1338 CD2 LEU A 91 6.618 -2.744 2.480 1.00 0.00 C ATOM 0 H LEU A 91 5.171 -4.595 3.763 1.00 0.00 H new ATOM 0 HA LEU A 91 6.712 -5.744 1.826 1.00 0.00 H new ATOM 0 HB2 LEU A 91 7.232 -4.476 4.489 1.00 0.00 H new ATOM 0 HB3 LEU A 91 8.576 -5.289 3.712 1.00 0.00 H new ATOM 0 HG LEU A 91 8.610 -2.913 3.224 1.00 0.00 H new ATOM 0 HD11 LEU A 91 8.701 -3.013 0.764 1.00 0.00 H new ATOM 0 HD12 LEU A 91 9.454 -4.442 1.513 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.828 -4.564 0.800 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.831 -1.858 1.882 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.885 -3.363 1.963 1.00 0.00 H new ATOM 0 HD23 LEU A 91 6.219 -2.441 3.448 1.00 0.00 H new ATOM 1350 N LYS A 92 6.557 -7.643 4.494 1.00 0.00 N ATOM 1351 CA LYS A 92 6.854 -8.973 5.011 1.00 0.00 C ATOM 1352 C LYS A 92 6.182 -10.049 4.165 1.00 0.00 C ATOM 1353 O LYS A 92 6.712 -11.149 4.005 1.00 0.00 O ATOM 1354 CB LYS A 92 6.394 -9.092 6.466 1.00 0.00 C ATOM 1355 CG LYS A 92 5.008 -9.695 6.618 1.00 0.00 C ATOM 1356 CD LYS A 92 5.066 -11.212 6.698 1.00 0.00 C ATOM 1357 CE LYS A 92 5.331 -11.685 8.119 1.00 0.00 C ATOM 1358 NZ LYS A 92 4.092 -12.182 8.779 1.00 0.00 N ATOM 0 H LYS A 92 5.947 -7.085 5.092 1.00 0.00 H new ATOM 0 HA LYS A 92 7.933 -9.120 4.964 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.109 -9.704 7.016 1.00 0.00 H new ATOM 0 HB3 LYS A 92 6.403 -8.103 6.923 1.00 0.00 H new ATOM 0 HG2 LYS A 92 4.535 -9.300 7.517 1.00 0.00 H new ATOM 0 HG3 LYS A 92 4.386 -9.398 5.774 1.00 0.00 H new ATOM 0 HD2 LYS A 92 4.125 -11.632 6.343 1.00 0.00 H new ATOM 0 HD3 LYS A 92 5.850 -11.583 6.038 1.00 0.00 H new ATOM 0 HE2 LYS A 92 6.078 -12.479 8.104 1.00 0.00 H new ATOM 0 HE3 LYS A 92 5.749 -10.865 8.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 4.315 -12.495 9.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 3.388 -11.417 8.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 3.706 -12.981 8.237 1.00 0.00 H new ATOM 1372 N LEU A 93 5.013 -9.724 3.623 1.00 0.00 N ATOM 1373 CA LEU A 93 4.268 -10.663 2.791 1.00 0.00 C ATOM 1374 C LEU A 93 5.030 -10.975 1.507 1.00 0.00 C ATOM 1375 O LEU A 93 5.476 -12.104 1.295 1.00 0.00 O ATOM 1376 CB LEU A 93 2.890 -10.093 2.453 1.00 0.00 C ATOM 1377 CG LEU A 93 2.019 -10.945 1.529 1.00 0.00 C ATOM 1378 CD1 LEU A 93 1.118 -11.863 2.342 1.00 0.00 C ATOM 1379 CD2 LEU A 93 1.190 -10.059 0.610 1.00 0.00 C ATOM 0 H LEU A 93 4.561 -8.818 3.745 1.00 0.00 H new ATOM 0 HA LEU A 93 4.144 -11.589 3.353 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.347 -9.932 3.384 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.027 -9.115 1.991 1.00 0.00 H new ATOM 0 HG LEU A 93 2.672 -11.563 0.913 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.505 -12.462 1.668 1.00 0.00 H new ATOM 0 HD12 LEU A 93 1.730 -12.522 2.958 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.472 -11.264 2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.576 -10.683 -0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.546 -9.415 1.209 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.853 -9.444 0.002 1.00 0.00 H new ATOM 1391 N LEU A 94 5.179 -9.968 0.653 1.00 0.00 N ATOM 1392 CA LEU A 94 5.890 -10.134 -0.610 1.00 0.00 C ATOM 1393 C LEU A 94 7.280 -10.718 -0.379 1.00 0.00 C ATOM 1394 O LEU A 94 7.797 -11.461 -1.213 1.00 0.00 O ATOM 1395 CB LEU A 94 6.001 -8.792 -1.335 1.00 0.00 C ATOM 1396 CG LEU A 94 4.696 -8.016 -1.516 1.00 0.00 C ATOM 1397 CD1 LEU A 94 3.512 -8.969 -1.565 1.00 0.00 C ATOM 1398 CD2 LEU A 94 4.520 -7.001 -0.396 1.00 0.00 C ATOM 0 H LEU A 94 4.817 -9.028 0.812 1.00 0.00 H new ATOM 0 HA LEU A 94 5.323 -10.829 -1.230 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.701 -8.162 -0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.435 -8.968 -2.319 1.00 0.00 H new ATOM 0 HG LEU A 94 4.743 -7.478 -2.463 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.592 -8.399 -1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.633 -9.657 -2.401 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.461 -9.534 -0.634 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.586 -6.458 -0.541 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.494 -7.518 0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.354 -6.299 -0.407 1.00 0.00 H new ATOM 1410 N GLN A 95 7.879 -10.377 0.757 1.00 0.00 N ATOM 1411 CA GLN A 95 9.209 -10.868 1.097 1.00 0.00 C ATOM 1412 C GLN A 95 9.213 -12.389 1.214 1.00 0.00 C ATOM 1413 O GLN A 95 10.268 -13.008 1.345 1.00 0.00 O ATOM 1414 CB GLN A 95 9.687 -10.243 2.409 1.00 0.00 C ATOM 1415 CG GLN A 95 10.518 -8.985 2.215 1.00 0.00 C ATOM 1416 CD GLN A 95 11.927 -9.128 2.756 1.00 0.00 C ATOM 1417 OE1 GLN A 95 12.511 -10.212 2.722 1.00 0.00 O ATOM 1418 NE2 GLN A 95 12.483 -8.031 3.258 1.00 0.00 N ATOM 0 H GLN A 95 7.464 -9.763 1.458 1.00 0.00 H new ATOM 0 HA GLN A 95 9.891 -10.581 0.297 1.00 0.00 H new ATOM 0 HB2 GLN A 95 8.820 -10.005 3.025 1.00 0.00 H new ATOM 0 HB3 GLN A 95 10.277 -10.977 2.958 1.00 0.00 H new ATOM 0 HG2 GLN A 95 10.563 -8.744 1.153 1.00 0.00 H new ATOM 0 HG3 GLN A 95 10.025 -8.149 2.711 1.00 0.00 H new ATOM 0 HE21 GLN A 95 11.963 -7.154 3.266 1.00 0.00 H new ATOM 0 HE22 GLN A 95 13.430 -8.066 3.635 1.00 0.00 H new ATOM 1427 N ASN A 96 8.026 -12.985 1.167 1.00 0.00 N ATOM 1428 CA ASN A 96 7.894 -14.434 1.269 1.00 0.00 C ATOM 1429 C ASN A 96 7.573 -15.048 -0.090 1.00 0.00 C ATOM 1430 O ASN A 96 7.371 -16.257 -0.204 1.00 0.00 O ATOM 1431 CB ASN A 96 6.800 -14.797 2.276 1.00 0.00 C ATOM 1432 CG ASN A 96 7.301 -14.774 3.707 1.00 0.00 C ATOM 1433 OD1 ASN A 96 7.903 -15.738 4.181 1.00 0.00 O ATOM 1434 ND2 ASN A 96 7.055 -13.671 4.403 1.00 0.00 N ATOM 0 H ASN A 96 7.142 -12.487 1.059 1.00 0.00 H new ATOM 0 HA ASN A 96 8.846 -14.837 1.614 1.00 0.00 H new ATOM 0 HB2 ASN A 96 5.969 -14.099 2.173 1.00 0.00 H new ATOM 0 HB3 ASN A 96 6.412 -15.789 2.045 1.00 0.00 H new ATOM 0 HD21 ASN A 96 7.368 -13.598 5.371 1.00 0.00 H new ATOM 0 HD22 ASN A 96 6.553 -12.896 3.970 1.00 0.00 H new ATOM 1441 N ILE A 97 7.530 -14.206 -1.118 1.00 0.00 N ATOM 1442 CA ILE A 97 7.236 -14.666 -2.469 1.00 0.00 C ATOM 1443 C ILE A 97 8.497 -15.163 -3.167 1.00 0.00 C ATOM 1444 O ILE A 97 9.582 -14.610 -2.982 1.00 0.00 O ATOM 1445 CB ILE A 97 6.599 -13.550 -3.318 1.00 0.00 C ATOM 1446 CG1 ILE A 97 5.463 -12.877 -2.545 1.00 0.00 C ATOM 1447 CG2 ILE A 97 6.090 -14.112 -4.637 1.00 0.00 C ATOM 1448 CD1 ILE A 97 4.146 -13.615 -2.642 1.00 0.00 C ATOM 0 H ILE A 97 7.695 -13.202 -1.040 1.00 0.00 H new ATOM 0 HA ILE A 97 6.527 -15.489 -2.375 1.00 0.00 H new ATOM 0 HB ILE A 97 7.360 -12.800 -3.535 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.747 -12.794 -1.496 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.330 -11.862 -2.920 1.00 0.00 H new ATOM 0 HG21 ILE A 97 5.643 -13.311 -5.225 1.00 0.00 H new ATOM 0 HG22 ILE A 97 6.921 -14.549 -5.191 1.00 0.00 H new ATOM 0 HG23 ILE A 97 5.341 -14.879 -4.441 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.387 -13.081 -2.070 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.839 -13.675 -3.686 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.262 -14.621 -2.240 1.00 0.00 H new ATOM 1460 N THR A 98 8.348 -16.210 -3.973 1.00 0.00 N ATOM 1461 CA THR A 98 9.474 -16.782 -4.700 1.00 0.00 C ATOM 1462 C THR A 98 9.554 -16.224 -6.116 1.00 0.00 C ATOM 1463 O THR A 98 8.556 -15.758 -6.667 1.00 0.00 O ATOM 1464 CB THR A 98 9.376 -18.318 -4.769 1.00 0.00 C ATOM 1465 OG1 THR A 98 8.463 -18.796 -3.776 1.00 0.00 O ATOM 1466 CG2 THR A 98 10.741 -18.957 -4.561 1.00 0.00 C ATOM 0 H THR A 98 7.458 -16.679 -4.139 1.00 0.00 H new ATOM 0 HA THR A 98 10.376 -16.508 -4.153 1.00 0.00 H new ATOM 0 HB THR A 98 9.011 -18.593 -5.759 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.405 -19.773 -3.828 1.00 0.00 H new ATOM 0 HG21 THR A 98 10.647 -20.042 -4.614 1.00 0.00 H new ATOM 0 HG22 THR A 98 11.425 -18.614 -5.337 1.00 0.00 H new ATOM 0 HG23 THR A 98 11.130 -18.674 -3.583 1.00 0.00 H new ATOM 1474 N ILE A 99 10.746 -16.276 -6.701 1.00 0.00 N ATOM 1475 CA ILE A 99 10.955 -15.778 -8.055 1.00 0.00 C ATOM 1476 C ILE A 99 10.125 -16.564 -9.064 1.00 0.00 C ATOM 1477 O ILE A 99 9.884 -17.758 -8.889 1.00 0.00 O ATOM 1478 CB ILE A 99 12.439 -15.851 -8.459 1.00 0.00 C ATOM 1479 CG1 ILE A 99 13.300 -15.067 -7.466 1.00 0.00 C ATOM 1480 CG2 ILE A 99 12.630 -15.317 -9.871 1.00 0.00 C ATOM 1481 CD1 ILE A 99 14.679 -15.655 -7.266 1.00 0.00 C ATOM 0 H ILE A 99 11.582 -16.658 -6.258 1.00 0.00 H new ATOM 0 HA ILE A 99 10.637 -14.735 -8.060 1.00 0.00 H new ATOM 0 HB ILE A 99 12.755 -16.894 -8.440 1.00 0.00 H new ATOM 0 HG12 ILE A 99 13.399 -14.039 -7.816 1.00 0.00 H new ATOM 0 HG13 ILE A 99 12.788 -15.028 -6.505 1.00 0.00 H new ATOM 0 HG21 ILE A 99 13.684 -15.375 -10.142 1.00 0.00 H new ATOM 0 HG22 ILE A 99 12.042 -15.914 -10.568 1.00 0.00 H new ATOM 0 HG23 ILE A 99 12.301 -14.279 -9.915 1.00 0.00 H new ATOM 0 HD11 ILE A 99 15.233 -15.048 -6.550 1.00 0.00 H new ATOM 0 HD12 ILE A 99 14.589 -16.673 -6.886 1.00 0.00 H new ATOM 0 HD13 ILE A 99 15.210 -15.669 -8.218 1.00 0.00 H new ATOM 1493 N GLY A 100 9.693 -15.886 -10.123 1.00 0.00 N ATOM 1494 CA GLY A 100 8.896 -16.538 -11.146 1.00 0.00 C ATOM 1495 C GLY A 100 7.547 -16.995 -10.628 1.00 0.00 C ATOM 1496 O GLY A 100 7.141 -18.136 -10.851 1.00 0.00 O ATOM 0 H GLY A 100 9.881 -14.898 -10.291 1.00 0.00 H new ATOM 0 HA2 GLY A 100 8.748 -15.851 -11.979 1.00 0.00 H new ATOM 0 HA3 GLY A 100 9.442 -17.397 -11.535 1.00 0.00 H new ATOM 1500 N THR A 101 6.850 -16.103 -9.931 1.00 0.00 N ATOM 1501 CA THR A 101 5.540 -16.422 -9.376 1.00 0.00 C ATOM 1502 C THR A 101 4.473 -15.471 -9.906 1.00 0.00 C ATOM 1503 O THR A 101 4.681 -14.259 -9.964 1.00 0.00 O ATOM 1504 CB THR A 101 5.551 -16.357 -7.837 1.00 0.00 C ATOM 1505 OG1 THR A 101 6.519 -17.274 -7.315 1.00 0.00 O ATOM 1506 CG2 THR A 101 4.178 -16.686 -7.272 1.00 0.00 C ATOM 0 H THR A 101 7.171 -15.154 -9.737 1.00 0.00 H new ATOM 0 HA THR A 101 5.304 -17.439 -9.687 1.00 0.00 H new ATOM 0 HB THR A 101 5.815 -15.342 -7.540 1.00 0.00 H new ATOM 0 HG1 THR A 101 7.284 -16.775 -6.959 1.00 0.00 H new ATOM 0 HG21 THR A 101 4.210 -16.634 -6.184 1.00 0.00 H new ATOM 0 HG22 THR A 101 3.448 -15.969 -7.648 1.00 0.00 H new ATOM 0 HG23 THR A 101 3.890 -17.692 -7.579 1.00 0.00 H new ATOM 1514 N VAL A 102 3.329 -16.028 -10.290 1.00 0.00 N ATOM 1515 CA VAL A 102 2.228 -15.229 -10.814 1.00 0.00 C ATOM 1516 C VAL A 102 1.248 -14.852 -9.708 1.00 0.00 C ATOM 1517 O VAL A 102 0.681 -15.720 -9.043 1.00 0.00 O ATOM 1518 CB VAL A 102 1.468 -15.979 -11.924 1.00 0.00 C ATOM 1519 CG1 VAL A 102 0.865 -17.266 -11.382 1.00 0.00 C ATOM 1520 CG2 VAL A 102 0.391 -15.089 -12.527 1.00 0.00 C ATOM 0 H VAL A 102 3.141 -17.030 -10.248 1.00 0.00 H new ATOM 0 HA VAL A 102 2.666 -14.323 -11.233 1.00 0.00 H new ATOM 0 HB VAL A 102 2.175 -16.240 -12.712 1.00 0.00 H new ATOM 0 HG11 VAL A 102 0.332 -17.782 -12.180 1.00 0.00 H new ATOM 0 HG12 VAL A 102 1.659 -17.908 -11.002 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.171 -17.031 -10.575 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -0.136 -15.635 -13.310 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -0.315 -14.796 -11.750 1.00 0.00 H new ATOM 0 HG23 VAL A 102 0.852 -14.198 -12.954 1.00 0.00 H new ATOM 1530 N LEU A 103 1.053 -13.552 -9.516 1.00 0.00 N ATOM 1531 CA LEU A 103 0.140 -13.059 -8.490 1.00 0.00 C ATOM 1532 C LEU A 103 -0.845 -12.052 -9.076 1.00 0.00 C ATOM 1533 O LEU A 103 -0.548 -11.384 -10.066 1.00 0.00 O ATOM 1534 CB LEU A 103 0.927 -12.414 -7.348 1.00 0.00 C ATOM 1535 CG LEU A 103 2.065 -13.249 -6.761 1.00 0.00 C ATOM 1536 CD1 LEU A 103 1.621 -14.689 -6.559 1.00 0.00 C ATOM 1537 CD2 LEU A 103 3.290 -13.189 -7.663 1.00 0.00 C ATOM 0 H LEU A 103 1.514 -12.821 -10.057 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.424 -13.907 -8.102 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.342 -11.472 -7.706 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.230 -12.171 -6.546 1.00 0.00 H new ATOM 0 HG LEU A 103 2.332 -12.833 -5.790 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.444 -15.268 -6.141 1.00 0.00 H new ATOM 0 HD12 LEU A 103 0.773 -14.716 -5.874 1.00 0.00 H new ATOM 0 HD13 LEU A 103 1.327 -15.117 -7.517 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.090 -13.789 -7.230 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.036 -13.580 -8.648 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.622 -12.155 -7.758 1.00 0.00 H new ATOM 1549 N GLN A 104 -2.016 -11.949 -8.456 1.00 0.00 N ATOM 1550 CA GLN A 104 -3.044 -11.023 -8.916 1.00 0.00 C ATOM 1551 C GLN A 104 -3.087 -9.777 -8.037 1.00 0.00 C ATOM 1552 O GLN A 104 -3.594 -9.814 -6.916 1.00 0.00 O ATOM 1553 CB GLN A 104 -4.412 -11.706 -8.919 1.00 0.00 C ATOM 1554 CG GLN A 104 -5.242 -11.401 -10.156 1.00 0.00 C ATOM 1555 CD GLN A 104 -6.697 -11.127 -9.829 1.00 0.00 C ATOM 1556 OE1 GLN A 104 -7.488 -12.051 -9.641 1.00 0.00 O ATOM 1557 NE2 GLN A 104 -7.058 -9.851 -9.759 1.00 0.00 N ATOM 0 H GLN A 104 -2.276 -12.495 -7.635 1.00 0.00 H new ATOM 0 HA GLN A 104 -2.795 -10.720 -9.933 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -4.271 -12.784 -8.843 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -4.966 -11.394 -8.034 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -4.820 -10.537 -10.668 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -5.181 -12.242 -10.847 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -6.369 -9.116 -9.922 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -8.024 -9.605 -9.542 1.00 0.00 H new ATOM 1566 N ILE A 105 -2.551 -8.676 -8.553 1.00 0.00 N ATOM 1567 CA ILE A 105 -2.529 -7.419 -7.815 1.00 0.00 C ATOM 1568 C ILE A 105 -3.712 -6.537 -8.198 1.00 0.00 C ATOM 1569 O ILE A 105 -3.747 -5.963 -9.287 1.00 0.00 O ATOM 1570 CB ILE A 105 -1.222 -6.643 -8.064 1.00 0.00 C ATOM 1571 CG1 ILE A 105 -0.018 -7.581 -7.953 1.00 0.00 C ATOM 1572 CG2 ILE A 105 -1.095 -5.490 -7.079 1.00 0.00 C ATOM 1573 CD1 ILE A 105 -0.157 -8.617 -6.860 1.00 0.00 C ATOM 0 H ILE A 105 -2.126 -8.629 -9.479 1.00 0.00 H new ATOM 0 HA ILE A 105 -2.595 -7.672 -6.757 1.00 0.00 H new ATOM 0 HB ILE A 105 -1.247 -6.232 -9.073 1.00 0.00 H new ATOM 0 HG12 ILE A 105 0.126 -8.088 -8.907 1.00 0.00 H new ATOM 0 HG13 ILE A 105 0.878 -6.988 -7.769 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -0.166 -4.951 -7.267 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.939 -4.812 -7.202 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -1.088 -5.880 -6.061 1.00 0.00 H new ATOM 0 HD11 ILE A 105 0.733 -9.246 -6.840 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -0.270 -8.118 -5.898 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -1.034 -9.235 -7.054 1.00 0.00 H new ATOM 1585 N LYS A 106 -4.680 -6.430 -7.294 1.00 0.00 N ATOM 1586 CA LYS A 106 -5.864 -5.614 -7.533 1.00 0.00 C ATOM 1587 C LYS A 106 -5.775 -4.291 -6.780 1.00 0.00 C ATOM 1588 O LYS A 106 -5.858 -4.258 -5.552 1.00 0.00 O ATOM 1589 CB LYS A 106 -7.125 -6.371 -7.108 1.00 0.00 C ATOM 1590 CG LYS A 106 -8.340 -6.058 -7.964 1.00 0.00 C ATOM 1591 CD LYS A 106 -9.632 -6.228 -7.182 1.00 0.00 C ATOM 1592 CE LYS A 106 -10.729 -6.835 -8.042 1.00 0.00 C ATOM 1593 NZ LYS A 106 -11.895 -5.920 -8.181 1.00 0.00 N ATOM 0 H LYS A 106 -4.667 -6.899 -6.388 1.00 0.00 H new ATOM 0 HA LYS A 106 -5.918 -5.401 -8.601 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -6.927 -7.442 -7.151 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -7.351 -6.130 -6.069 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -8.271 -5.036 -8.336 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -8.352 -6.714 -8.835 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -9.453 -6.865 -6.316 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.959 -5.260 -6.803 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -10.330 -7.067 -9.029 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -11.057 -7.777 -7.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -12.767 -6.428 -7.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -11.774 -5.105 -7.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -11.960 -5.587 -9.164 1.00 0.00 H new ATOM 1607 N ALA A 107 -5.608 -3.202 -7.523 1.00 0.00 N ATOM 1608 CA ALA A 107 -5.512 -1.876 -6.925 1.00 0.00 C ATOM 1609 C ALA A 107 -6.469 -0.899 -7.599 1.00 0.00 C ATOM 1610 O ALA A 107 -6.820 -1.065 -8.767 1.00 0.00 O ATOM 1611 CB ALA A 107 -4.083 -1.361 -7.011 1.00 0.00 C ATOM 0 H ALA A 107 -5.536 -3.212 -8.540 1.00 0.00 H new ATOM 0 HA ALA A 107 -5.796 -1.956 -5.876 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -4.026 -0.370 -6.561 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -3.419 -2.041 -6.478 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -3.780 -1.303 -8.056 1.00 0.00 H new ATOM 1617 N TYR A 108 -6.890 0.118 -6.855 1.00 0.00 N ATOM 1618 CA TYR A 108 -7.810 1.120 -7.379 1.00 0.00 C ATOM 1619 C TYR A 108 -7.049 2.257 -8.055 1.00 0.00 C ATOM 1620 O TYR A 108 -5.929 2.588 -7.665 1.00 0.00 O ATOM 1621 CB TYR A 108 -8.687 1.675 -6.256 1.00 0.00 C ATOM 1622 CG TYR A 108 -9.531 0.623 -5.572 1.00 0.00 C ATOM 1623 CD1 TYR A 108 -10.117 -0.406 -6.297 1.00 0.00 C ATOM 1624 CD2 TYR A 108 -9.741 0.659 -4.199 1.00 0.00 C ATOM 1625 CE1 TYR A 108 -10.889 -1.369 -5.676 1.00 0.00 C ATOM 1626 CE2 TYR A 108 -10.511 -0.300 -3.569 1.00 0.00 C ATOM 1627 CZ TYR A 108 -11.083 -1.311 -4.312 1.00 0.00 C ATOM 1628 OH TYR A 108 -11.850 -2.269 -3.689 1.00 0.00 O ATOM 0 H TYR A 108 -6.608 0.270 -5.887 1.00 0.00 H new ATOM 0 HA TYR A 108 -8.446 0.639 -8.123 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -8.051 2.158 -5.514 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -9.341 2.445 -6.664 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -9.967 -0.455 -7.365 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -9.295 1.450 -3.614 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -11.338 -2.162 -6.255 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -10.664 -0.258 -2.501 1.00 0.00 H new ATOM 0 HH TYR A 108 -11.886 -2.084 -2.727 1.00 0.00 H new ATOM 1638 N ARG A 109 -7.667 2.853 -9.070 1.00 0.00 N ATOM 1639 CA ARG A 109 -7.050 3.953 -9.800 1.00 0.00 C ATOM 1640 C ARG A 109 -7.899 5.216 -9.701 1.00 0.00 C ATOM 1641 O ARG A 109 -7.974 6.002 -10.645 1.00 0.00 O ATOM 1642 CB ARG A 109 -6.853 3.571 -11.269 1.00 0.00 C ATOM 1643 CG ARG A 109 -5.554 4.089 -11.864 1.00 0.00 C ATOM 1644 CD ARG A 109 -5.363 3.601 -13.292 1.00 0.00 C ATOM 1645 NE ARG A 109 -6.257 4.278 -14.227 1.00 0.00 N ATOM 1646 CZ ARG A 109 -6.134 5.556 -14.567 1.00 0.00 C ATOM 1647 NH1 ARG A 109 -5.159 6.292 -14.052 1.00 0.00 N ATOM 1648 NH2 ARG A 109 -6.988 6.101 -15.424 1.00 0.00 N ATOM 0 H ARG A 109 -8.594 2.592 -9.405 1.00 0.00 H new ATOM 0 HA ARG A 109 -6.078 4.154 -9.350 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -6.877 2.485 -11.360 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -7.689 3.958 -11.851 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -5.554 5.179 -11.847 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -4.715 3.761 -11.251 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -4.329 3.765 -13.596 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -5.541 2.526 -13.334 1.00 0.00 H new ATOM 0 HE ARG A 109 -7.018 3.740 -14.642 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -4.501 5.877 -13.393 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -5.067 7.273 -14.315 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -7.740 5.538 -15.822 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -6.893 7.083 -15.684 1.00 0.00 H new ATOM 1662 N GLY A 110 -8.539 5.404 -8.551 1.00 0.00 N ATOM 1663 CA GLY A 110 -9.376 6.573 -8.350 1.00 0.00 C ATOM 1664 C GLY A 110 -10.080 6.558 -7.008 1.00 0.00 C ATOM 1665 O GLY A 110 -11.196 7.062 -6.878 1.00 0.00 O ATOM 0 H GLY A 110 -8.493 4.768 -7.755 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -8.764 7.472 -8.426 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -10.119 6.625 -9.146 1.00 0.00 H new ATOM 1669 N PHE A 111 -9.429 5.976 -6.006 1.00 0.00 N ATOM 1670 CA PHE A 111 -10.001 5.895 -4.667 1.00 0.00 C ATOM 1671 C PHE A 111 -9.233 6.784 -3.693 1.00 0.00 C ATOM 1672 O PHE A 111 -9.754 7.791 -3.211 1.00 0.00 O ATOM 1673 CB PHE A 111 -9.989 4.447 -4.172 1.00 0.00 C ATOM 1674 CG PHE A 111 -10.803 4.233 -2.927 1.00 0.00 C ATOM 1675 CD1 PHE A 111 -10.256 4.473 -1.677 1.00 0.00 C ATOM 1676 CD2 PHE A 111 -12.113 3.792 -3.008 1.00 0.00 C ATOM 1677 CE1 PHE A 111 -11.003 4.276 -0.530 1.00 0.00 C ATOM 1678 CE2 PHE A 111 -12.865 3.593 -1.865 1.00 0.00 C ATOM 1679 CZ PHE A 111 -12.309 3.837 -0.625 1.00 0.00 C ATOM 0 H PHE A 111 -8.505 5.554 -6.096 1.00 0.00 H new ATOM 0 HA PHE A 111 -11.032 6.247 -4.717 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -10.369 3.798 -4.961 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -8.959 4.145 -3.980 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -9.236 4.818 -1.597 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -12.553 3.601 -3.976 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -10.566 4.465 0.439 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -13.885 3.247 -1.942 1.00 0.00 H new ATOM 0 HZ PHE A 111 -12.895 3.685 0.270 1.00 0.00 H new ATOM 1689 N LEU A 112 -7.993 6.404 -3.406 1.00 0.00 N ATOM 1690 CA LEU A 112 -7.152 7.165 -2.488 1.00 0.00 C ATOM 1691 C LEU A 112 -6.247 8.127 -3.250 1.00 0.00 C ATOM 1692 O LEU A 112 -5.427 7.707 -4.066 1.00 0.00 O ATOM 1693 CB LEU A 112 -6.307 6.218 -1.635 1.00 0.00 C ATOM 1694 CG LEU A 112 -6.197 6.569 -0.151 1.00 0.00 C ATOM 1695 CD1 LEU A 112 -7.574 6.597 0.494 1.00 0.00 C ATOM 1696 CD2 LEU A 112 -5.291 5.579 0.566 1.00 0.00 C ATOM 0 H LEU A 112 -7.547 5.573 -3.796 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.803 7.747 -1.836 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.724 5.215 -1.720 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -5.302 6.182 -2.055 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.757 7.562 -0.064 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -7.476 6.848 1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -8.193 7.345 -0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.042 5.617 0.396 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.225 5.845 1.621 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -5.702 4.574 0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -4.296 5.608 0.121 1.00 0.00 H new ATOM 1708 N GLU A 113 -6.400 9.419 -2.977 1.00 0.00 N ATOM 1709 CA GLU A 113 -5.595 10.440 -3.637 1.00 0.00 C ATOM 1710 C GLU A 113 -4.140 10.362 -3.183 1.00 0.00 C ATOM 1711 O GLU A 113 -3.812 9.646 -2.237 1.00 0.00 O ATOM 1712 CB GLU A 113 -6.158 11.832 -3.346 1.00 0.00 C ATOM 1713 CG GLU A 113 -6.087 12.223 -1.879 1.00 0.00 C ATOM 1714 CD GLU A 113 -7.296 13.018 -1.428 1.00 0.00 C ATOM 1715 OE1 GLU A 113 -7.462 14.163 -1.898 1.00 0.00 O ATOM 1716 OE2 GLU A 113 -8.077 12.496 -0.605 1.00 0.00 O ATOM 0 H GLU A 113 -7.074 9.783 -2.303 1.00 0.00 H new ATOM 0 HA GLU A 113 -5.633 10.259 -4.711 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.610 12.567 -3.936 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -7.197 11.870 -3.674 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -6.001 11.323 -1.271 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -5.185 12.811 -1.707 1.00 0.00 H new ATOM 1723 N ILE A 114 -3.273 11.102 -3.866 1.00 0.00 N ATOM 1724 CA ILE A 114 -1.854 11.118 -3.533 1.00 0.00 C ATOM 1725 C ILE A 114 -1.474 12.404 -2.807 1.00 0.00 C ATOM 1726 O ILE A 114 -1.849 13.506 -3.207 1.00 0.00 O ATOM 1727 CB ILE A 114 -0.979 10.974 -4.792 1.00 0.00 C ATOM 1728 CG1 ILE A 114 -1.187 9.600 -5.431 1.00 0.00 C ATOM 1729 CG2 ILE A 114 0.487 11.187 -4.445 1.00 0.00 C ATOM 1730 CD1 ILE A 114 -0.499 9.444 -6.769 1.00 0.00 C ATOM 0 H ILE A 114 -3.528 11.698 -4.653 1.00 0.00 H new ATOM 0 HA ILE A 114 -1.674 10.267 -2.876 1.00 0.00 H new ATOM 0 HB ILE A 114 -1.276 11.736 -5.512 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -0.818 8.833 -4.751 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -2.255 9.426 -5.559 1.00 0.00 H new ATOM 0 HG21 ILE A 114 1.093 11.082 -5.345 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.622 12.187 -4.032 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.798 10.445 -3.710 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -0.690 8.446 -7.162 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.885 10.188 -7.466 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.575 9.586 -6.645 1.00 0.00 H new ATOM 1742 N PRO A 115 -0.709 12.262 -1.715 1.00 0.00 N ATOM 1743 CA PRO A 115 -0.258 13.402 -0.910 1.00 0.00 C ATOM 1744 C PRO A 115 0.773 14.256 -1.641 1.00 0.00 C ATOM 1745 O PRO A 115 1.923 13.851 -1.803 1.00 0.00 O ATOM 1746 CB PRO A 115 0.370 12.742 0.320 1.00 0.00 C ATOM 1747 CG PRO A 115 0.788 11.391 -0.147 1.00 0.00 C ATOM 1748 CD PRO A 115 -0.224 10.978 -1.180 1.00 0.00 C ATOM 0 HA PRO A 115 -1.076 14.083 -0.674 1.00 0.00 H new ATOM 0 HB2 PRO A 115 1.222 13.316 0.685 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -0.344 12.674 1.141 1.00 0.00 H new ATOM 0 HG2 PRO A 115 1.791 11.418 -0.573 1.00 0.00 H new ATOM 0 HG3 PRO A 115 0.812 10.682 0.681 1.00 0.00 H new ATOM 0 HD2 PRO A 115 0.225 10.362 -1.959 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -1.033 10.395 -0.740 1.00 0.00 H new ATOM 1756 N GLN A 116 0.352 15.438 -2.080 1.00 0.00 N ATOM 1757 CA GLN A 116 1.239 16.348 -2.794 1.00 0.00 C ATOM 1758 C GLN A 116 2.641 16.324 -2.193 1.00 0.00 C ATOM 1759 O GLN A 116 3.633 16.215 -2.912 1.00 0.00 O ATOM 1760 CB GLN A 116 0.681 17.771 -2.759 1.00 0.00 C ATOM 1761 CG GLN A 116 -0.668 17.912 -3.446 1.00 0.00 C ATOM 1762 CD GLN A 116 -0.556 18.512 -4.833 1.00 0.00 C ATOM 1763 OE1 GLN A 116 -0.835 19.695 -5.035 1.00 0.00 O ATOM 1764 NE2 GLN A 116 -0.147 17.699 -5.799 1.00 0.00 N ATOM 0 H GLN A 116 -0.598 15.788 -1.954 1.00 0.00 H new ATOM 0 HA GLN A 116 1.301 16.016 -3.830 1.00 0.00 H new ATOM 0 HB2 GLN A 116 0.586 18.090 -1.721 1.00 0.00 H new ATOM 0 HB3 GLN A 116 1.394 18.444 -3.235 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -1.140 16.932 -3.515 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -1.319 18.537 -2.835 1.00 0.00 H new ATOM 0 HE21 GLN A 116 0.074 16.726 -5.587 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -0.053 18.047 -6.753 1.00 0.00 H new ATOM 1773 N GLU A 117 2.714 16.427 -0.869 1.00 0.00 N ATOM 1774 CA GLU A 117 3.995 16.419 -0.173 1.00 0.00 C ATOM 1775 C GLU A 117 4.930 15.369 -0.766 1.00 0.00 C ATOM 1776 O GLU A 117 6.117 15.625 -0.971 1.00 0.00 O ATOM 1777 CB GLU A 117 3.788 16.148 1.319 1.00 0.00 C ATOM 1778 CG GLU A 117 3.459 17.394 2.124 1.00 0.00 C ATOM 1779 CD GLU A 117 2.133 17.286 2.852 1.00 0.00 C ATOM 1780 OE1 GLU A 117 1.964 16.330 3.638 1.00 0.00 O ATOM 1781 OE2 GLU A 117 1.265 18.157 2.636 1.00 0.00 O ATOM 0 H GLU A 117 1.902 16.517 -0.258 1.00 0.00 H new ATOM 0 HA GLU A 117 4.453 17.400 -0.297 1.00 0.00 H new ATOM 0 HB2 GLU A 117 2.982 15.424 1.440 1.00 0.00 H new ATOM 0 HB3 GLU A 117 4.690 15.691 1.725 1.00 0.00 H new ATOM 0 HG2 GLU A 117 4.253 17.574 2.849 1.00 0.00 H new ATOM 0 HG3 GLU A 117 3.434 18.256 1.458 1.00 0.00 H new ATOM 1788 N TRP A 118 4.387 14.188 -1.038 1.00 0.00 N ATOM 1789 CA TRP A 118 5.172 13.099 -1.608 1.00 0.00 C ATOM 1790 C TRP A 118 5.507 13.375 -3.069 1.00 0.00 C ATOM 1791 O TRP A 118 6.644 13.709 -3.402 1.00 0.00 O ATOM 1792 CB TRP A 118 4.412 11.777 -1.487 1.00 0.00 C ATOM 1793 CG TRP A 118 4.535 11.143 -0.134 1.00 0.00 C ATOM 1794 CD1 TRP A 118 3.757 11.389 0.961 1.00 0.00 C ATOM 1795 CD2 TRP A 118 5.495 10.159 0.266 1.00 0.00 C ATOM 1796 NE1 TRP A 118 4.175 10.618 2.018 1.00 0.00 N ATOM 1797 CE2 TRP A 118 5.239 9.853 1.617 1.00 0.00 C ATOM 1798 CE3 TRP A 118 6.544 9.504 -0.385 1.00 0.00 C ATOM 1799 CZ2 TRP A 118 5.995 8.924 2.326 1.00 0.00 C ATOM 1800 CZ3 TRP A 118 7.294 8.582 0.320 1.00 0.00 C ATOM 1801 CH2 TRP A 118 7.016 8.298 1.664 1.00 0.00 C ATOM 0 H TRP A 118 3.407 13.960 -0.873 1.00 0.00 H new ATOM 0 HA TRP A 118 6.105 13.026 -1.049 1.00 0.00 H new ATOM 0 HB2 TRP A 118 3.358 11.951 -1.705 1.00 0.00 H new ATOM 0 HB3 TRP A 118 4.783 11.083 -2.241 1.00 0.00 H new ATOM 0 HD1 TRP A 118 2.934 12.087 0.991 1.00 0.00 H new ATOM 0 HE1 TRP A 118 3.761 10.615 2.950 1.00 0.00 H new ATOM 0 HE3 TRP A 118 6.765 9.715 -1.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 5.783 8.705 3.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 8.108 8.072 -0.173 1.00 0.00 H new ATOM 0 HH2 TRP A 118 7.619 7.571 2.187 1.00 0.00 H new ATOM 1812 N GLN A 119 4.510 13.234 -3.937 1.00 0.00 N ATOM 1813 CA GLN A 119 4.701 13.469 -5.363 1.00 0.00 C ATOM 1814 C GLN A 119 5.930 12.725 -5.878 1.00 0.00 C ATOM 1815 O GLN A 119 6.526 11.922 -5.161 1.00 0.00 O ATOM 1816 CB GLN A 119 4.843 14.966 -5.641 1.00 0.00 C ATOM 1817 CG GLN A 119 3.962 15.461 -6.777 1.00 0.00 C ATOM 1818 CD GLN A 119 4.764 15.965 -7.961 1.00 0.00 C ATOM 1819 OE1 GLN A 119 5.462 16.975 -7.867 1.00 0.00 O ATOM 1820 NE2 GLN A 119 4.668 15.263 -9.084 1.00 0.00 N ATOM 0 H GLN A 119 3.563 12.958 -3.678 1.00 0.00 H new ATOM 0 HA GLN A 119 3.824 13.091 -5.888 1.00 0.00 H new ATOM 0 HB2 GLN A 119 4.598 15.520 -4.735 1.00 0.00 H new ATOM 0 HB3 GLN A 119 5.884 15.186 -5.878 1.00 0.00 H new ATOM 0 HG2 GLN A 119 3.308 14.652 -7.104 1.00 0.00 H new ATOM 0 HG3 GLN A 119 3.320 16.262 -6.411 1.00 0.00 H new ATOM 0 HE21 GLN A 119 4.077 14.432 -9.117 1.00 0.00 H new ATOM 0 HE22 GLN A 119 5.185 15.555 -9.914 1.00 0.00 H new ATOM 1829 N ASP A 120 6.302 12.999 -7.123 1.00 0.00 N ATOM 1830 CA ASP A 120 7.460 12.357 -7.734 1.00 0.00 C ATOM 1831 C ASP A 120 8.752 12.823 -7.070 1.00 0.00 C ATOM 1832 O ASP A 120 9.656 12.025 -6.819 1.00 0.00 O ATOM 1833 CB ASP A 120 7.505 12.656 -9.233 1.00 0.00 C ATOM 1834 CG ASP A 120 8.489 11.770 -9.971 1.00 0.00 C ATOM 1835 OD1 ASP A 120 8.510 10.551 -9.699 1.00 0.00 O ATOM 1836 OD2 ASP A 120 9.238 12.295 -10.821 1.00 0.00 O ATOM 0 H ASP A 120 5.818 13.662 -7.729 1.00 0.00 H new ATOM 0 HA ASP A 120 7.366 11.281 -7.590 1.00 0.00 H new ATOM 0 HB2 ASP A 120 6.510 12.521 -9.657 1.00 0.00 H new ATOM 0 HB3 ASP A 120 7.777 13.701 -9.384 1.00 0.00 H new ATOM 1841 N SER A 121 8.834 14.120 -6.790 1.00 0.00 N ATOM 1842 CA SER A 121 10.017 14.693 -6.161 1.00 0.00 C ATOM 1843 C SER A 121 11.263 14.423 -6.999 1.00 0.00 C ATOM 1844 O SER A 121 11.733 13.289 -7.086 1.00 0.00 O ATOM 1845 CB SER A 121 10.201 14.120 -4.754 1.00 0.00 C ATOM 1846 OG SER A 121 9.422 14.831 -3.808 1.00 0.00 O ATOM 0 H SER A 121 8.094 14.794 -6.989 1.00 0.00 H new ATOM 0 HA SER A 121 9.874 15.771 -6.091 1.00 0.00 H new ATOM 0 HB2 SER A 121 9.917 13.068 -4.746 1.00 0.00 H new ATOM 0 HB3 SER A 121 11.253 14.168 -4.473 1.00 0.00 H new ATOM 0 HG SER A 121 8.539 14.413 -3.731 1.00 0.00 H new ATOM 1852 N GLY A 122 11.794 15.475 -7.615 1.00 0.00 N ATOM 1853 CA GLY A 122 12.980 15.332 -8.439 1.00 0.00 C ATOM 1854 C GLY A 122 13.983 16.446 -8.210 1.00 0.00 C ATOM 1855 O GLY A 122 13.991 17.098 -7.166 1.00 0.00 O ATOM 0 H GLY A 122 11.424 16.424 -7.558 1.00 0.00 H new ATOM 0 HA2 GLY A 122 13.452 14.373 -8.227 1.00 0.00 H new ATOM 0 HA3 GLY A 122 12.689 15.319 -9.489 1.00 0.00 H new ATOM 1859 N PRO A 123 14.854 16.676 -9.203 1.00 0.00 N ATOM 1860 CA PRO A 123 15.882 17.718 -9.129 1.00 0.00 C ATOM 1861 C PRO A 123 15.291 19.122 -9.191 1.00 0.00 C ATOM 1862 O PRO A 123 16.013 20.115 -9.102 1.00 0.00 O ATOM 1863 CB PRO A 123 16.750 17.449 -10.360 1.00 0.00 C ATOM 1864 CG PRO A 123 15.845 16.753 -11.317 1.00 0.00 C ATOM 1865 CD PRO A 123 14.902 15.937 -10.476 1.00 0.00 C ATOM 0 HA PRO A 123 16.430 17.682 -8.188 1.00 0.00 H new ATOM 0 HB2 PRO A 123 17.135 18.377 -10.783 1.00 0.00 H new ATOM 0 HB3 PRO A 123 17.612 16.831 -10.109 1.00 0.00 H new ATOM 0 HG2 PRO A 123 15.300 17.470 -11.931 1.00 0.00 H new ATOM 0 HG3 PRO A 123 16.411 16.117 -11.997 1.00 0.00 H new ATOM 0 HD2 PRO A 123 13.916 15.863 -10.935 1.00 0.00 H new ATOM 0 HD3 PRO A 123 15.266 14.919 -10.336 1.00 0.00 H new ATOM 1873 N SER A 124 13.972 19.198 -9.343 1.00 0.00 N ATOM 1874 CA SER A 124 13.284 20.481 -9.421 1.00 0.00 C ATOM 1875 C SER A 124 13.404 21.078 -10.819 1.00 0.00 C ATOM 1876 O SER A 124 14.463 21.016 -11.444 1.00 0.00 O ATOM 1877 CB SER A 124 13.856 21.453 -8.388 1.00 0.00 C ATOM 1878 OG SER A 124 12.920 22.469 -8.070 1.00 0.00 O ATOM 0 H SER A 124 13.359 18.386 -9.415 1.00 0.00 H new ATOM 0 HA SER A 124 12.229 20.313 -9.207 1.00 0.00 H new ATOM 0 HB2 SER A 124 14.128 20.909 -7.484 1.00 0.00 H new ATOM 0 HB3 SER A 124 14.770 21.904 -8.775 1.00 0.00 H new ATOM 0 HG SER A 124 13.309 23.076 -7.406 1.00 0.00 H new ATOM 1884 N SER A 125 12.310 21.657 -11.305 1.00 0.00 N ATOM 1885 CA SER A 125 12.290 22.263 -12.631 1.00 0.00 C ATOM 1886 C SER A 125 10.981 23.011 -12.867 1.00 0.00 C ATOM 1887 O SER A 125 9.956 22.696 -12.264 1.00 0.00 O ATOM 1888 CB SER A 125 12.479 21.192 -13.707 1.00 0.00 C ATOM 1889 OG SER A 125 11.679 20.053 -13.439 1.00 0.00 O ATOM 0 H SER A 125 11.426 21.719 -10.800 1.00 0.00 H new ATOM 0 HA SER A 125 13.112 22.977 -12.690 1.00 0.00 H new ATOM 0 HB2 SER A 125 12.218 21.602 -14.683 1.00 0.00 H new ATOM 0 HB3 SER A 125 13.528 20.900 -13.754 1.00 0.00 H new ATOM 0 HG SER A 125 11.816 19.384 -14.142 1.00 0.00 H new ATOM 1895 N GLY A 126 11.026 24.005 -13.748 1.00 0.00 N ATOM 1896 CA GLY A 126 9.839 24.784 -14.049 1.00 0.00 C ATOM 1897 C GLY A 126 9.295 24.500 -15.435 1.00 0.00 C ATOM 1898 O GLY A 126 8.279 23.822 -15.584 1.00 0.00 O ATOM 0 H GLY A 126 11.863 24.285 -14.259 1.00 0.00 H new ATOM 0 HA2 GLY A 126 9.069 24.568 -13.309 1.00 0.00 H new ATOM 0 HA3 GLY A 126 10.074 25.845 -13.965 1.00 0.00 H new TER 1902 GLY A 126