USER MOD reduce.3.24.130724 H: found=0, std=0, add=1102, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1097 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 64 SER OG : rot 142:sc= 0.943 USER MOD Set 1.2: A 131 ASN : amide:sc= 0.786 K(o=1.7,f=-0.77) USER MOD Set 2.1: A 75 MET CE :methyl -148:sc= -1.02 (180deg=-3.59!) USER MOD Set 2.2: A 95 MET CE :methyl -169:sc= -0.0552 (180deg=-0.249) USER MOD Set 3.1: A 32 SER OG : rot -128:sc= 0.274 USER MOD Set 3.2: A 40 TYR OH : rot 166:sc= 1.23 USER MOD Set 3.3: A 42 GLN : amide:sc= 0.959 K(o=2.6,f=-0.67) USER MOD Set 3.4: A 126 ASN : amide:sc= 0.0902 K(o=2.6,f=1.1) USER MOD Set 4.1: A 3 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 114 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A -1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.522 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 CYS SG : rot 15:sc= -0.242 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.0254 X(o=-0.025,f=-0.12) USER MOD Single : A 48 HIS : no HD1:sc=-0.00862 X(o=-0.0086,f=-0.0086) USER MOD Single : A 53 GLN : amide:sc= 0.449 K(o=0.45,f=-5.1!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 180:sc=-0.00275 USER MOD Single : A 69 THR OG1 : rot 140:sc= 0.124 USER MOD Single : A 70 LYS NZ :NH3+ -121:sc= 0.0175 (180deg=-0.0499) USER MOD Single : A 72 HIS : no HE2:sc= -0.409 K(o=-0.41,f=-2.7!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc=0.000491 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.0802 X(o=-0.08,f=-0.017) USER MOD Single : A 102 ASN : amide:sc= 0.787 K(o=0.79,f=0) USER MOD Single : A 104 LYS NZ :NH3+ -167:sc= 0.717 (180deg=0.431) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 137 ASN : amide:sc= 0 X(o=0,f=-0.0076) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 1.556 -0.146 -0.309 1.00 0.00 N ATOM 2 CA GLY A -1 2.392 -0.084 -1.537 1.00 0.00 C ATOM 3 C GLY A -1 1.739 0.583 -2.746 1.00 0.00 C ATOM 4 O GLY A -1 2.002 0.181 -3.878 1.00 0.00 O ATOM 0 H1 GLY A -1 2.089 -0.615 0.451 1.00 0.00 H new ATOM 0 H2 GLY A -1 1.305 0.818 -0.011 1.00 0.00 H new ATOM 0 H3 GLY A -1 0.688 -0.684 -0.507 1.00 0.00 H new ATOM 0 HA2 GLY A -1 3.312 0.451 -1.302 1.00 0.00 H new ATOM 0 HA3 GLY A -1 2.676 -1.099 -1.814 1.00 0.00 H new ATOM 8 N GLY A 0 0.923 1.619 -2.536 1.00 0.00 N ATOM 9 CA GLY A 0 0.204 2.426 -3.522 1.00 0.00 C ATOM 10 C GLY A 0 -0.124 3.780 -2.886 1.00 0.00 C ATOM 11 O GLY A 0 -0.115 3.905 -1.659 1.00 0.00 O ATOM 0 H GLY A 0 0.733 1.942 -1.587 1.00 0.00 H new ATOM 0 HA2 GLY A 0 0.812 2.564 -4.416 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -0.710 1.921 -3.833 1.00 0.00 H new ATOM 15 N ALA A 1 -0.371 4.805 -3.701 1.00 0.00 N ATOM 16 CA ALA A 1 -0.430 6.185 -3.216 1.00 0.00 C ATOM 17 C ALA A 1 -1.234 7.118 -4.144 1.00 0.00 C ATOM 18 O ALA A 1 -1.697 6.715 -5.217 1.00 0.00 O ATOM 19 CB ALA A 1 1.026 6.624 -3.033 1.00 0.00 C ATOM 0 H ALA A 1 -0.534 4.706 -4.703 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.974 6.244 -2.273 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.053 7.652 -2.670 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.515 5.971 -2.310 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.547 6.562 -3.988 1.00 0.00 H new ATOM 25 N LEU A 2 -1.408 8.371 -3.712 1.00 0.00 N ATOM 26 CA LEU A 2 -2.302 9.365 -4.319 1.00 0.00 C ATOM 27 C LEU A 2 -1.522 10.595 -4.795 1.00 0.00 C ATOM 28 O LEU A 2 -0.515 10.963 -4.190 1.00 0.00 O ATOM 29 CB LEU A 2 -3.347 9.788 -3.271 1.00 0.00 C ATOM 30 CG LEU A 2 -4.181 8.632 -2.687 1.00 0.00 C ATOM 31 CD1 LEU A 2 -5.092 9.103 -1.566 1.00 0.00 C ATOM 32 CD2 LEU A 2 -5.054 7.967 -3.746 1.00 0.00 C ATOM 0 H LEU A 2 -0.912 8.736 -2.899 1.00 0.00 H new ATOM 0 HA LEU A 2 -2.789 8.921 -5.187 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -2.836 10.297 -2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -4.023 10.512 -3.725 1.00 0.00 H new ATOM 0 HG LEU A 2 -3.457 7.915 -2.301 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.663 8.258 -1.182 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -4.491 9.530 -0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -5.777 9.860 -1.948 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.625 7.158 -3.291 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -5.739 8.703 -4.167 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -4.422 7.565 -4.538 1.00 0.00 H new ATOM 44 N SER A 3 -1.974 11.228 -5.883 1.00 0.00 N ATOM 45 CA SER A 3 -1.322 12.430 -6.438 1.00 0.00 C ATOM 46 C SER A 3 -1.387 13.631 -5.479 1.00 0.00 C ATOM 47 O SER A 3 -2.217 13.671 -4.574 1.00 0.00 O ATOM 48 CB SER A 3 -1.947 12.782 -7.791 1.00 0.00 C ATOM 49 OG SER A 3 -1.139 13.728 -8.462 1.00 0.00 O ATOM 0 H SER A 3 -2.797 10.927 -6.405 1.00 0.00 H new ATOM 0 HA SER A 3 -0.266 12.198 -6.575 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.051 11.883 -8.399 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.949 13.185 -7.645 1.00 0.00 H new ATOM 0 HG SER A 3 -1.543 13.948 -9.327 1.00 0.00 H new ATOM 55 N TYR A 4 -0.551 14.651 -5.696 1.00 0.00 N ATOM 56 CA TYR A 4 -0.608 15.908 -4.936 1.00 0.00 C ATOM 57 C TYR A 4 -2.009 16.542 -4.975 1.00 0.00 C ATOM 58 O TYR A 4 -2.539 16.960 -3.947 1.00 0.00 O ATOM 59 CB TYR A 4 0.415 16.894 -5.510 1.00 0.00 C ATOM 60 CG TYR A 4 0.456 18.226 -4.787 1.00 0.00 C ATOM 61 CD1 TYR A 4 -0.448 19.250 -5.139 1.00 0.00 C ATOM 62 CD2 TYR A 4 1.389 18.439 -3.754 1.00 0.00 C ATOM 63 CE1 TYR A 4 -0.427 20.477 -4.452 1.00 0.00 C ATOM 64 CE2 TYR A 4 1.421 19.670 -3.072 1.00 0.00 C ATOM 65 CZ TYR A 4 0.513 20.695 -3.422 1.00 0.00 C ATOM 66 OH TYR A 4 0.551 21.895 -2.783 1.00 0.00 O ATOM 0 H TYR A 4 0.185 14.631 -6.402 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.376 15.681 -3.896 1.00 0.00 H new ATOM 0 HB2 TYR A 4 1.405 16.440 -5.471 1.00 0.00 H new ATOM 0 HB3 TYR A 4 0.186 17.069 -6.561 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -1.158 19.091 -5.938 1.00 0.00 H new ATOM 0 HD2 TYR A 4 2.082 17.656 -3.484 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -1.131 21.253 -4.713 1.00 0.00 H new ATOM 0 HE2 TYR A 4 2.139 19.831 -2.282 1.00 0.00 H new ATOM 0 HH TYR A 4 1.254 21.880 -2.100 1.00 0.00 H new ATOM 76 N GLU A 5 -2.615 16.566 -6.167 1.00 0.00 N ATOM 77 CA GLU A 5 -3.941 17.139 -6.449 1.00 0.00 C ATOM 78 C GLU A 5 -5.070 16.524 -5.610 1.00 0.00 C ATOM 79 O GLU A 5 -6.122 17.140 -5.425 1.00 0.00 O ATOM 80 CB GLU A 5 -4.286 16.887 -7.923 1.00 0.00 C ATOM 81 CG GLU A 5 -3.330 17.555 -8.911 1.00 0.00 C ATOM 82 CD GLU A 5 -3.600 19.066 -9.037 1.00 0.00 C ATOM 83 OE1 GLU A 5 -3.034 19.860 -8.247 1.00 0.00 O ATOM 84 OE2 GLU A 5 -4.382 19.473 -9.932 1.00 0.00 O ATOM 0 H GLU A 5 -2.178 16.170 -6.999 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.875 18.199 -6.202 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.288 15.812 -8.106 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.298 17.245 -8.114 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -2.302 17.396 -8.586 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.432 17.085 -9.889 1.00 0.00 H new ATOM 91 N THR A 6 -4.859 15.298 -5.137 1.00 0.00 N ATOM 92 CA THR A 6 -5.805 14.525 -4.326 1.00 0.00 C ATOM 93 C THR A 6 -6.014 15.163 -2.946 1.00 0.00 C ATOM 94 O THR A 6 -5.155 15.074 -2.065 1.00 0.00 O ATOM 95 CB THR A 6 -5.333 13.068 -4.209 1.00 0.00 C ATOM 96 OG1 THR A 6 -5.089 12.550 -5.502 1.00 0.00 O ATOM 97 CG2 THR A 6 -6.392 12.192 -3.559 1.00 0.00 C ATOM 0 H THR A 6 -3.991 14.793 -5.314 1.00 0.00 H new ATOM 0 HA THR A 6 -6.773 14.532 -4.827 1.00 0.00 H new ATOM 0 HB THR A 6 -4.431 13.061 -3.598 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.786 11.621 -5.430 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.026 11.168 -3.492 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.610 12.566 -2.559 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.301 12.213 -4.160 1.00 0.00 H new ATOM 105 N GLU A 7 -7.150 15.840 -2.751 1.00 0.00 N ATOM 106 CA GLU A 7 -7.439 16.556 -1.501 1.00 0.00 C ATOM 107 C GLU A 7 -8.105 15.656 -0.454 1.00 0.00 C ATOM 108 O GLU A 7 -8.994 14.852 -0.756 1.00 0.00 O ATOM 109 CB GLU A 7 -8.295 17.813 -1.727 1.00 0.00 C ATOM 110 CG GLU A 7 -7.714 18.739 -2.803 1.00 0.00 C ATOM 111 CD GLU A 7 -8.343 20.142 -2.746 1.00 0.00 C ATOM 112 OE1 GLU A 7 -9.384 20.375 -3.407 1.00 0.00 O ATOM 113 OE2 GLU A 7 -7.785 21.029 -2.056 1.00 0.00 O ATOM 0 H GLU A 7 -7.891 15.908 -3.448 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.469 16.870 -1.117 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.303 17.514 -2.016 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.382 18.362 -0.789 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.635 18.818 -2.671 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.884 18.304 -3.788 1.00 0.00 H new ATOM 120 N ILE A 8 -7.703 15.853 0.800 1.00 0.00 N ATOM 121 CA ILE A 8 -8.095 15.075 1.974 1.00 0.00 C ATOM 122 C ILE A 8 -8.761 16.042 2.946 1.00 0.00 C ATOM 123 O ILE A 8 -8.152 17.028 3.369 1.00 0.00 O ATOM 124 CB ILE A 8 -6.852 14.412 2.622 1.00 0.00 C ATOM 125 CG1 ILE A 8 -5.990 13.618 1.615 1.00 0.00 C ATOM 126 CG2 ILE A 8 -7.250 13.514 3.807 1.00 0.00 C ATOM 127 CD1 ILE A 8 -6.658 12.373 1.032 1.00 0.00 C ATOM 0 H ILE A 8 -7.056 16.605 1.038 1.00 0.00 H new ATOM 0 HA ILE A 8 -8.781 14.274 1.700 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.236 15.233 2.989 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.713 14.281 0.795 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.066 13.318 2.109 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.356 13.064 4.239 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.757 14.113 4.564 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.920 12.728 3.459 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.975 11.885 0.337 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.909 11.684 1.838 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.567 12.661 0.504 1.00 0.00 H new ATOM 139 N LEU A 9 -10.030 15.788 3.272 1.00 0.00 N ATOM 140 CA LEU A 9 -10.738 16.537 4.312 1.00 0.00 C ATOM 141 C LEU A 9 -10.040 16.367 5.682 1.00 0.00 C ATOM 142 O LEU A 9 -9.771 15.239 6.104 1.00 0.00 O ATOM 143 CB LEU A 9 -12.201 16.051 4.347 1.00 0.00 C ATOM 144 CG LEU A 9 -13.144 16.947 5.174 1.00 0.00 C ATOM 145 CD1 LEU A 9 -13.436 18.277 4.478 1.00 0.00 C ATOM 146 CD2 LEU A 9 -14.474 16.231 5.407 1.00 0.00 C ATOM 0 H LEU A 9 -10.592 15.063 2.826 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.722 17.603 4.087 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.577 15.992 3.326 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -12.227 15.041 4.755 1.00 0.00 H new ATOM 0 HG LEU A 9 -12.638 17.150 6.118 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -14.104 18.874 5.099 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.503 18.819 4.324 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -13.909 18.087 3.514 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -15.134 16.871 5.992 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -14.941 16.009 4.447 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -14.297 15.301 5.948 1.00 0.00 H new ATOM 158 N THR A 10 -9.797 17.470 6.401 1.00 0.00 N ATOM 159 CA THR A 10 -9.221 17.475 7.760 1.00 0.00 C ATOM 160 C THR A 10 -10.078 18.251 8.764 1.00 0.00 C ATOM 161 O THR A 10 -10.890 19.102 8.391 1.00 0.00 O ATOM 162 CB THR A 10 -7.773 18.010 7.799 1.00 0.00 C ATOM 163 OG1 THR A 10 -7.729 19.400 7.565 1.00 0.00 O ATOM 164 CG2 THR A 10 -6.836 17.329 6.804 1.00 0.00 C ATOM 0 H THR A 10 -9.998 18.406 6.050 1.00 0.00 H new ATOM 0 HA THR A 10 -9.206 16.426 8.056 1.00 0.00 H new ATOM 0 HB THR A 10 -7.423 17.779 8.805 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.799 19.708 7.598 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.838 17.759 6.891 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.791 16.261 7.018 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.209 17.480 5.791 1.00 0.00 H new ATOM 172 N VAL A 11 -9.916 17.946 10.057 1.00 0.00 N ATOM 173 CA VAL A 11 -10.565 18.691 11.163 1.00 0.00 C ATOM 174 C VAL A 11 -9.809 19.988 11.476 1.00 0.00 C ATOM 175 O VAL A 11 -10.416 21.011 11.795 1.00 0.00 O ATOM 176 CB VAL A 11 -10.669 17.840 12.446 1.00 0.00 C ATOM 177 CG1 VAL A 11 -11.516 18.520 13.532 1.00 0.00 C ATOM 178 CG2 VAL A 11 -11.292 16.461 12.188 1.00 0.00 C ATOM 0 H VAL A 11 -9.330 17.174 10.376 1.00 0.00 H new ATOM 0 HA VAL A 11 -11.572 18.934 10.825 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.639 17.729 12.785 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.558 17.881 14.414 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.066 19.477 13.798 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -12.525 18.686 13.156 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.342 15.903 13.123 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.297 16.585 11.786 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.680 15.914 11.471 1.00 0.00 H new ATOM 188 N GLU A 12 -8.478 19.957 11.358 1.00 0.00 N ATOM 189 CA GLU A 12 -7.597 21.096 11.664 1.00 0.00 C ATOM 190 C GLU A 12 -7.759 22.283 10.700 1.00 0.00 C ATOM 191 O GLU A 12 -7.581 23.432 11.119 1.00 0.00 O ATOM 192 CB GLU A 12 -6.134 20.616 11.670 1.00 0.00 C ATOM 193 CG GLU A 12 -5.619 20.333 13.086 1.00 0.00 C ATOM 194 CD GLU A 12 -5.543 21.606 13.955 1.00 0.00 C ATOM 195 OE1 GLU A 12 -4.598 22.415 13.786 1.00 0.00 O ATOM 196 OE2 GLU A 12 -6.421 21.801 14.833 1.00 0.00 O ATOM 0 H GLU A 12 -7.972 19.129 11.043 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.888 21.467 12.647 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.048 19.712 11.067 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.504 21.372 11.201 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.273 19.607 13.568 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.630 19.880 13.025 1.00 0.00 H new ATOM 203 N TYR A 13 -8.135 22.020 9.442 1.00 0.00 N ATOM 204 CA TYR A 13 -8.298 23.052 8.408 1.00 0.00 C ATOM 205 C TYR A 13 -9.499 22.819 7.476 1.00 0.00 C ATOM 206 O TYR A 13 -10.325 23.723 7.315 1.00 0.00 O ATOM 207 CB TYR A 13 -7.013 23.126 7.564 1.00 0.00 C ATOM 208 CG TYR A 13 -5.790 23.695 8.264 1.00 0.00 C ATOM 209 CD1 TYR A 13 -5.819 25.020 8.747 1.00 0.00 C ATOM 210 CD2 TYR A 13 -4.611 22.928 8.399 1.00 0.00 C ATOM 211 CE1 TYR A 13 -4.687 25.573 9.372 1.00 0.00 C ATOM 212 CE2 TYR A 13 -3.474 23.481 9.018 1.00 0.00 C ATOM 213 CZ TYR A 13 -3.509 24.807 9.508 1.00 0.00 C ATOM 214 OH TYR A 13 -2.412 25.355 10.098 1.00 0.00 O ATOM 0 H TYR A 13 -8.337 21.077 9.110 1.00 0.00 H new ATOM 0 HA TYR A 13 -8.490 23.988 8.932 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -6.773 22.122 7.214 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -7.216 23.731 6.681 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.715 25.613 8.636 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.582 21.915 8.026 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.719 26.585 9.748 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.574 22.892 9.119 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.686 24.697 10.115 1.00 0.00 H new ATOM 224 N GLY A 14 -9.593 21.645 6.845 1.00 0.00 N ATOM 225 CA GLY A 14 -10.558 21.364 5.775 1.00 0.00 C ATOM 226 C GLY A 14 -9.927 20.607 4.603 1.00 0.00 C ATOM 227 O GLY A 14 -9.017 19.802 4.787 1.00 0.00 O ATOM 0 H GLY A 14 -8.993 20.851 7.066 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.384 20.779 6.179 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -10.979 22.302 5.413 1.00 0.00 H new ATOM 231 N LEU A 15 -10.436 20.841 3.395 1.00 0.00 N ATOM 232 CA LEU A 15 -9.947 20.239 2.148 1.00 0.00 C ATOM 233 C LEU A 15 -8.548 20.774 1.785 1.00 0.00 C ATOM 234 O LEU A 15 -8.409 21.939 1.395 1.00 0.00 O ATOM 235 CB LEU A 15 -10.954 20.551 1.021 1.00 0.00 C ATOM 236 CG LEU A 15 -12.340 19.903 1.188 1.00 0.00 C ATOM 237 CD1 LEU A 15 -13.309 20.469 0.151 1.00 0.00 C ATOM 238 CD2 LEU A 15 -12.267 18.385 1.017 1.00 0.00 C ATOM 0 H LEU A 15 -11.223 21.473 3.248 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.860 19.160 2.279 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -11.080 21.632 0.956 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -10.528 20.223 0.073 1.00 0.00 H new ATOM 0 HG LEU A 15 -12.692 20.128 2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -14.287 20.005 0.276 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -13.398 21.547 0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -12.933 20.259 -0.851 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -13.262 17.957 1.141 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.891 18.149 0.021 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.596 17.966 1.767 1.00 0.00 H new ATOM 250 N LEU A 16 -7.517 19.926 1.898 1.00 0.00 N ATOM 251 CA LEU A 16 -6.124 20.238 1.542 1.00 0.00 C ATOM 252 C LEU A 16 -5.436 19.090 0.769 1.00 0.00 C ATOM 253 O LEU A 16 -5.764 17.922 0.995 1.00 0.00 O ATOM 254 CB LEU A 16 -5.347 20.535 2.836 1.00 0.00 C ATOM 255 CG LEU A 16 -5.591 21.950 3.389 1.00 0.00 C ATOM 256 CD1 LEU A 16 -5.120 22.007 4.835 1.00 0.00 C ATOM 257 CD2 LEU A 16 -4.838 23.013 2.589 1.00 0.00 C ATOM 0 H LEU A 16 -7.631 18.976 2.250 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.128 21.104 0.880 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.627 19.804 3.594 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.281 20.406 2.648 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.658 22.158 3.314 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.290 23.007 5.234 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.676 21.281 5.428 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.056 21.774 4.881 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.038 23.997 3.013 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.768 22.810 2.632 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.170 22.991 1.551 1.00 0.00 H new ATOM 269 N PRO A 17 -4.466 19.387 -0.120 1.00 0.00 N ATOM 270 CA PRO A 17 -3.744 18.384 -0.911 1.00 0.00 C ATOM 271 C PRO A 17 -2.885 17.459 -0.038 1.00 0.00 C ATOM 272 O PRO A 17 -2.067 17.929 0.760 1.00 0.00 O ATOM 273 CB PRO A 17 -2.892 19.190 -1.900 1.00 0.00 C ATOM 274 CG PRO A 17 -2.704 20.544 -1.230 1.00 0.00 C ATOM 275 CD PRO A 17 -3.997 20.727 -0.446 1.00 0.00 C ATOM 0 HA PRO A 17 -4.433 17.713 -1.424 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.935 18.704 -2.087 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.392 19.290 -2.864 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.832 20.552 -0.576 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.561 21.339 -1.962 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.825 21.310 0.459 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.738 21.266 -1.037 1.00 0.00 H new ATOM 283 N ILE A 18 -3.021 16.138 -0.223 1.00 0.00 N ATOM 284 CA ILE A 18 -2.224 15.129 0.503 1.00 0.00 C ATOM 285 C ILE A 18 -0.716 15.356 0.347 1.00 0.00 C ATOM 286 O ILE A 18 0.030 15.246 1.319 1.00 0.00 O ATOM 287 CB ILE A 18 -2.629 13.694 0.087 1.00 0.00 C ATOM 288 CG1 ILE A 18 -2.046 12.652 1.066 1.00 0.00 C ATOM 289 CG2 ILE A 18 -2.264 13.366 -1.370 1.00 0.00 C ATOM 290 CD1 ILE A 18 -2.600 11.234 0.867 1.00 0.00 C ATOM 0 H ILE A 18 -3.688 15.735 -0.881 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.448 15.247 1.563 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.717 13.646 0.143 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.962 12.627 0.952 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.252 12.972 2.087 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.573 12.347 -1.602 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.774 14.061 -2.038 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.186 13.458 -1.505 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.143 10.560 1.591 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -3.680 11.242 1.010 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.371 10.892 -0.142 1.00 0.00 H new ATOM 302 N GLY A 19 -0.258 15.751 -0.847 1.00 0.00 N ATOM 303 CA GLY A 19 1.170 15.888 -1.129 1.00 0.00 C ATOM 304 C GLY A 19 1.839 17.008 -0.335 1.00 0.00 C ATOM 305 O GLY A 19 2.990 16.857 0.075 1.00 0.00 O ATOM 0 H GLY A 19 -0.862 15.982 -1.636 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.669 14.945 -0.905 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.306 16.076 -2.194 1.00 0.00 H new ATOM 309 N LYS A 20 1.108 18.090 -0.026 1.00 0.00 N ATOM 310 CA LYS A 20 1.607 19.173 0.832 1.00 0.00 C ATOM 311 C LYS A 20 1.718 18.720 2.289 1.00 0.00 C ATOM 312 O LYS A 20 2.677 19.063 2.974 1.00 0.00 O ATOM 313 CB LYS A 20 0.684 20.396 0.710 1.00 0.00 C ATOM 314 CG LYS A 20 1.349 21.668 1.254 1.00 0.00 C ATOM 315 CD LYS A 20 0.365 22.848 1.236 1.00 0.00 C ATOM 316 CE LYS A 20 0.990 24.137 1.791 1.00 0.00 C ATOM 317 NZ LYS A 20 1.980 24.742 0.857 1.00 0.00 N ATOM 0 H LYS A 20 0.157 18.238 -0.363 1.00 0.00 H new ATOM 0 HA LYS A 20 2.608 19.447 0.499 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.415 20.545 -0.336 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.242 20.209 1.254 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.698 21.495 2.272 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.226 21.911 0.654 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.028 23.021 0.214 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.517 22.592 1.824 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.201 24.860 1.996 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.478 23.920 2.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.371 25.608 1.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.749 24.065 0.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.512 24.976 -0.042 1.00 0.00 H new ATOM 331 N ILE A 21 0.763 17.909 2.749 1.00 0.00 N ATOM 332 CA ILE A 21 0.735 17.380 4.116 1.00 0.00 C ATOM 333 C ILE A 21 1.912 16.429 4.314 1.00 0.00 C ATOM 334 O ILE A 21 2.570 16.502 5.344 1.00 0.00 O ATOM 335 CB ILE A 21 -0.624 16.722 4.441 1.00 0.00 C ATOM 336 CG1 ILE A 21 -1.752 17.783 4.412 1.00 0.00 C ATOM 337 CG2 ILE A 21 -0.615 15.994 5.798 1.00 0.00 C ATOM 338 CD1 ILE A 21 -3.156 17.186 4.281 1.00 0.00 C ATOM 0 H ILE A 21 -0.022 17.597 2.177 1.00 0.00 H new ATOM 0 HA ILE A 21 0.842 18.202 4.823 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.809 15.971 3.673 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.703 18.377 5.325 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.577 18.464 3.579 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.593 15.549 5.979 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.143 15.211 5.786 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.388 16.706 6.591 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.893 17.989 4.268 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -3.224 16.616 3.355 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -3.352 16.528 5.128 1.00 0.00 H new ATOM 350 N VAL A 22 2.232 15.599 3.320 1.00 0.00 N ATOM 351 CA VAL A 22 3.381 14.683 3.370 1.00 0.00 C ATOM 352 C VAL A 22 4.725 15.389 3.189 1.00 0.00 C ATOM 353 O VAL A 22 5.658 15.095 3.934 1.00 0.00 O ATOM 354 CB VAL A 22 3.200 13.540 2.354 1.00 0.00 C ATOM 355 CG1 VAL A 22 4.388 12.572 2.324 1.00 0.00 C ATOM 356 CG2 VAL A 22 1.930 12.759 2.717 1.00 0.00 C ATOM 0 H VAL A 22 1.701 15.540 2.451 1.00 0.00 H new ATOM 0 HA VAL A 22 3.406 14.260 4.374 1.00 0.00 H new ATOM 0 HB VAL A 22 3.127 13.990 1.364 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.201 11.789 1.589 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.293 13.115 2.053 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.516 12.122 3.309 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.788 11.945 2.006 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.030 12.349 3.722 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.069 13.427 2.681 1.00 0.00 H new ATOM 366 N GLU A 23 4.857 16.335 2.256 1.00 0.00 N ATOM 367 CA GLU A 23 6.155 16.974 1.986 1.00 0.00 C ATOM 368 C GLU A 23 6.560 18.014 3.049 1.00 0.00 C ATOM 369 O GLU A 23 7.748 18.299 3.217 1.00 0.00 O ATOM 370 CB GLU A 23 6.182 17.560 0.567 1.00 0.00 C ATOM 371 CG GLU A 23 5.547 18.947 0.438 1.00 0.00 C ATOM 372 CD GLU A 23 5.389 19.431 -1.019 1.00 0.00 C ATOM 373 OE1 GLU A 23 6.024 18.874 -1.950 1.00 0.00 O ATOM 374 OE2 GLU A 23 4.657 20.429 -1.236 1.00 0.00 O ATOM 0 H GLU A 23 4.090 16.676 1.677 1.00 0.00 H new ATOM 0 HA GLU A 23 6.911 16.192 2.050 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.217 17.616 0.231 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.666 16.874 -0.105 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.566 18.932 0.914 1.00 0.00 H new ATOM 0 HG3 GLU A 23 6.156 19.667 0.985 1.00 0.00 H new ATOM 381 N LYS A 24 5.576 18.536 3.800 1.00 0.00 N ATOM 382 CA LYS A 24 5.764 19.488 4.914 1.00 0.00 C ATOM 383 C LYS A 24 5.458 18.851 6.281 1.00 0.00 C ATOM 384 O LYS A 24 5.557 19.525 7.309 1.00 0.00 O ATOM 385 CB LYS A 24 4.912 20.755 4.694 1.00 0.00 C ATOM 386 CG LYS A 24 5.056 21.447 3.331 1.00 0.00 C ATOM 387 CD LYS A 24 6.483 21.930 3.027 1.00 0.00 C ATOM 388 CE LYS A 24 6.488 22.733 1.721 1.00 0.00 C ATOM 389 NZ LYS A 24 7.847 23.244 1.393 1.00 0.00 N ATOM 0 H LYS A 24 4.595 18.301 3.646 1.00 0.00 H new ATOM 0 HA LYS A 24 6.816 19.772 4.924 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.864 20.490 4.834 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.165 21.476 5.471 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.742 20.756 2.549 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.378 22.300 3.294 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.851 22.547 3.846 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.156 21.077 2.944 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.129 22.104 0.906 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.795 23.570 1.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.810 23.782 0.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.179 23.864 2.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.503 22.444 1.287 1.00 0.00 H new ATOM 403 N ARG A 25 5.120 17.549 6.290 1.00 0.00 N ATOM 404 CA ARG A 25 4.777 16.727 7.470 1.00 0.00 C ATOM 405 C ARG A 25 3.767 17.410 8.412 1.00 0.00 C ATOM 406 O ARG A 25 4.008 17.544 9.615 1.00 0.00 O ATOM 407 CB ARG A 25 6.054 16.235 8.182 1.00 0.00 C ATOM 408 CG ARG A 25 7.074 15.565 7.239 1.00 0.00 C ATOM 409 CD ARG A 25 8.227 16.486 6.801 1.00 0.00 C ATOM 410 NE ARG A 25 9.058 16.917 7.946 1.00 0.00 N ATOM 411 CZ ARG A 25 10.020 17.824 7.931 1.00 0.00 C ATOM 412 NH1 ARG A 25 10.382 18.439 6.837 1.00 0.00 N ATOM 413 NH2 ARG A 25 10.647 18.136 9.029 1.00 0.00 N ATOM 0 H ARG A 25 5.076 17.009 5.426 1.00 0.00 H new ATOM 0 HA ARG A 25 4.251 15.842 7.112 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.532 17.081 8.677 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.774 15.526 8.962 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.492 14.690 7.737 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.552 15.208 6.351 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.852 15.965 6.076 1.00 0.00 H new ATOM 0 HD3 ARG A 25 7.819 17.363 6.299 1.00 0.00 H new ATOM 0 HE ARG A 25 8.869 16.467 8.842 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.918 18.225 5.954 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.129 19.133 6.865 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.397 17.680 9.906 1.00 0.00 H new ATOM 0 HH22 ARG A 25 11.388 18.836 9.012 1.00 0.00 H new ATOM 427 N ILE A 26 2.671 17.928 7.845 1.00 0.00 N ATOM 428 CA ILE A 26 1.695 18.768 8.561 1.00 0.00 C ATOM 429 C ILE A 26 0.883 17.901 9.531 1.00 0.00 C ATOM 430 O ILE A 26 0.291 16.894 9.135 1.00 0.00 O ATOM 431 CB ILE A 26 0.764 19.538 7.593 1.00 0.00 C ATOM 432 CG1 ILE A 26 1.584 20.271 6.507 1.00 0.00 C ATOM 433 CG2 ILE A 26 -0.098 20.550 8.370 1.00 0.00 C ATOM 434 CD1 ILE A 26 0.738 21.010 5.467 1.00 0.00 C ATOM 0 H ILE A 26 2.431 17.776 6.865 1.00 0.00 H new ATOM 0 HA ILE A 26 2.247 19.520 9.125 1.00 0.00 H new ATOM 0 HB ILE A 26 0.111 18.814 7.105 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.248 20.986 6.992 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.216 19.546 5.995 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.747 21.084 7.676 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.707 20.022 9.103 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.549 21.262 8.882 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.393 21.496 4.744 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.092 20.299 4.952 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.125 21.762 5.964 1.00 0.00 H new ATOM 446 N GLU A 27 0.851 18.290 10.805 1.00 0.00 N ATOM 447 CA GLU A 27 0.123 17.557 11.848 1.00 0.00 C ATOM 448 C GLU A 27 -1.352 17.986 11.902 1.00 0.00 C ATOM 449 O GLU A 27 -1.692 19.058 12.411 1.00 0.00 O ATOM 450 CB GLU A 27 0.790 17.683 13.225 1.00 0.00 C ATOM 451 CG GLU A 27 2.304 17.435 13.224 1.00 0.00 C ATOM 452 CD GLU A 27 2.855 17.376 14.660 1.00 0.00 C ATOM 453 OE1 GLU A 27 3.073 18.449 15.277 1.00 0.00 O ATOM 454 OE2 GLU A 27 3.081 16.260 15.188 1.00 0.00 O ATOM 0 H GLU A 27 1.329 19.124 11.147 1.00 0.00 H new ATOM 0 HA GLU A 27 0.159 16.502 11.576 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.599 18.682 13.617 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.319 16.976 13.909 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.522 16.500 12.708 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.806 18.229 12.671 1.00 0.00 H new ATOM 461 N CYS A 28 -2.223 17.122 11.375 1.00 0.00 N ATOM 462 CA CYS A 28 -3.669 17.338 11.255 1.00 0.00 C ATOM 463 C CYS A 28 -4.467 16.101 11.725 1.00 0.00 C ATOM 464 O CYS A 28 -3.910 15.132 12.247 1.00 0.00 O ATOM 465 CB CYS A 28 -3.984 17.750 9.796 1.00 0.00 C ATOM 466 SG CYS A 28 -3.439 19.449 9.461 1.00 0.00 S ATOM 0 H CYS A 28 -1.930 16.217 11.006 1.00 0.00 H new ATOM 0 HA CYS A 28 -3.984 18.146 11.915 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -3.490 17.065 9.107 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -5.056 17.667 9.615 1.00 0.00 H new ATOM 0 HG CYS A 28 -2.628 19.838 10.400 1.00 0.00 H new ATOM 472 N THR A 29 -5.788 16.136 11.533 1.00 0.00 N ATOM 473 CA THR A 29 -6.746 15.074 11.900 1.00 0.00 C ATOM 474 C THR A 29 -7.603 14.742 10.679 1.00 0.00 C ATOM 475 O THR A 29 -7.963 15.653 9.936 1.00 0.00 O ATOM 476 CB THR A 29 -7.679 15.543 13.037 1.00 0.00 C ATOM 477 OG1 THR A 29 -7.092 16.513 13.884 1.00 0.00 O ATOM 478 CG2 THR A 29 -8.183 14.416 13.930 1.00 0.00 C ATOM 0 H THR A 29 -6.245 16.938 11.099 1.00 0.00 H new ATOM 0 HA THR A 29 -6.187 14.201 12.237 1.00 0.00 H new ATOM 0 HB THR A 29 -8.516 15.979 12.492 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.732 16.769 14.580 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.832 14.827 14.703 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.743 13.699 13.330 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.335 13.915 14.396 1.00 0.00 H new ATOM 486 N VAL A 30 -7.967 13.474 10.480 1.00 0.00 N ATOM 487 CA VAL A 30 -8.649 12.950 9.275 1.00 0.00 C ATOM 488 C VAL A 30 -9.880 12.116 9.654 1.00 0.00 C ATOM 489 O VAL A 30 -10.066 11.802 10.830 1.00 0.00 O ATOM 490 CB VAL A 30 -7.679 12.133 8.385 1.00 0.00 C ATOM 491 CG1 VAL A 30 -6.414 12.928 8.040 1.00 0.00 C ATOM 492 CG2 VAL A 30 -7.250 10.792 8.994 1.00 0.00 C ATOM 0 H VAL A 30 -7.792 12.749 11.175 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.989 13.807 8.693 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.257 11.926 7.484 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.761 12.319 7.415 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.690 13.835 7.501 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.891 13.196 8.958 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.572 10.282 8.310 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.743 10.969 9.943 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.130 10.171 9.163 1.00 0.00 H new ATOM 502 N TYR A 31 -10.701 11.730 8.671 1.00 0.00 N ATOM 503 CA TYR A 31 -12.000 11.065 8.869 1.00 0.00 C ATOM 504 C TYR A 31 -11.977 9.629 8.331 1.00 0.00 C ATOM 505 O TYR A 31 -11.360 9.363 7.300 1.00 0.00 O ATOM 506 CB TYR A 31 -13.112 11.854 8.159 1.00 0.00 C ATOM 507 CG TYR A 31 -13.273 13.299 8.594 1.00 0.00 C ATOM 508 CD1 TYR A 31 -12.413 14.286 8.077 1.00 0.00 C ATOM 509 CD2 TYR A 31 -14.302 13.663 9.484 1.00 0.00 C ATOM 510 CE1 TYR A 31 -12.572 15.630 8.453 1.00 0.00 C ATOM 511 CE2 TYR A 31 -14.480 15.014 9.844 1.00 0.00 C ATOM 512 CZ TYR A 31 -13.617 16.004 9.323 1.00 0.00 C ATOM 513 OH TYR A 31 -13.798 17.314 9.648 1.00 0.00 O ATOM 0 H TYR A 31 -10.476 11.874 7.687 1.00 0.00 H new ATOM 0 HA TYR A 31 -12.197 11.033 9.941 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -12.917 11.836 7.087 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -14.058 11.338 8.320 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -11.628 14.009 7.389 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -14.956 12.906 9.891 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -11.892 16.379 8.075 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -15.276 15.293 10.518 1.00 0.00 H new ATOM 0 HH TYR A 31 -14.562 17.398 10.256 1.00 0.00 H new ATOM 523 N SER A 32 -12.657 8.711 9.018 1.00 0.00 N ATOM 524 CA SER A 32 -12.607 7.251 8.798 1.00 0.00 C ATOM 525 C SER A 32 -13.837 6.574 9.420 1.00 0.00 C ATOM 526 O SER A 32 -14.359 7.090 10.406 1.00 0.00 O ATOM 527 CB SER A 32 -11.332 6.729 9.490 1.00 0.00 C ATOM 528 OG SER A 32 -11.314 5.322 9.663 1.00 0.00 O ATOM 0 H SER A 32 -13.287 8.968 9.778 1.00 0.00 H new ATOM 0 HA SER A 32 -12.599 7.029 7.731 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.463 7.025 8.903 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.236 7.207 10.465 1.00 0.00 H new ATOM 0 HG SER A 32 -11.127 5.110 10.601 1.00 0.00 H new ATOM 534 N VAL A 33 -14.323 5.440 8.892 1.00 0.00 N ATOM 535 CA VAL A 33 -15.336 4.626 9.611 1.00 0.00 C ATOM 536 C VAL A 33 -14.661 3.622 10.541 1.00 0.00 C ATOM 537 O VAL A 33 -13.635 3.019 10.212 1.00 0.00 O ATOM 538 CB VAL A 33 -16.331 3.855 8.730 1.00 0.00 C ATOM 539 CG1 VAL A 33 -17.217 4.800 7.927 1.00 0.00 C ATOM 540 CG2 VAL A 33 -15.663 2.825 7.828 1.00 0.00 C ATOM 0 H VAL A 33 -14.042 5.064 7.986 1.00 0.00 H new ATOM 0 HA VAL A 33 -15.916 5.370 10.156 1.00 0.00 H new ATOM 0 HB VAL A 33 -16.966 3.294 9.416 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -17.908 4.220 7.316 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -17.782 5.436 8.608 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -16.596 5.421 7.282 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -16.421 2.316 7.233 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -14.957 3.325 7.165 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -15.132 2.095 8.440 1.00 0.00 H new ATOM 550 N ASP A 34 -15.277 3.415 11.702 1.00 0.00 N ATOM 551 CA ASP A 34 -14.888 2.362 12.642 1.00 0.00 C ATOM 552 C ASP A 34 -15.407 0.986 12.171 1.00 0.00 C ATOM 553 O ASP A 34 -16.127 0.869 11.173 1.00 0.00 O ATOM 554 CB ASP A 34 -15.388 2.731 14.052 1.00 0.00 C ATOM 555 CG ASP A 34 -14.506 2.141 15.167 1.00 0.00 C ATOM 556 OD1 ASP A 34 -14.694 0.953 15.516 1.00 0.00 O ATOM 557 OD2 ASP A 34 -13.630 2.859 15.703 1.00 0.00 O ATOM 0 H ASP A 34 -16.066 3.976 12.021 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.802 2.283 12.679 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -15.415 3.816 14.151 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -16.410 2.374 14.176 1.00 0.00 H new ATOM 562 N ASN A 35 -15.094 -0.064 12.926 1.00 0.00 N ATOM 563 CA ASN A 35 -15.559 -1.438 12.685 1.00 0.00 C ATOM 564 C ASN A 35 -17.098 -1.559 12.701 1.00 0.00 C ATOM 565 O ASN A 35 -17.668 -2.456 12.075 1.00 0.00 O ATOM 566 CB ASN A 35 -14.934 -2.363 13.747 1.00 0.00 C ATOM 567 CG ASN A 35 -14.546 -3.715 13.173 1.00 0.00 C ATOM 568 OD1 ASN A 35 -15.332 -4.653 13.121 1.00 0.00 O ATOM 569 ND2 ASN A 35 -13.319 -3.860 12.721 1.00 0.00 N ATOM 0 H ASN A 35 -14.493 0.014 13.747 1.00 0.00 H new ATOM 0 HA ASN A 35 -15.241 -1.734 11.685 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -14.052 -1.883 14.170 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -15.642 -2.506 14.564 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.023 -4.753 12.327 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -12.664 -3.079 12.764 1.00 0.00 H new ATOM 576 N ASN A 36 -17.766 -0.637 13.407 1.00 0.00 N ATOM 577 CA ASN A 36 -19.220 -0.574 13.554 1.00 0.00 C ATOM 578 C ASN A 36 -19.916 0.233 12.430 1.00 0.00 C ATOM 579 O ASN A 36 -21.139 0.387 12.454 1.00 0.00 O ATOM 580 CB ASN A 36 -19.531 0.024 14.941 1.00 0.00 C ATOM 581 CG ASN A 36 -19.000 -0.826 16.086 1.00 0.00 C ATOM 582 OD1 ASN A 36 -19.285 -2.013 16.202 1.00 0.00 O ATOM 583 ND2 ASN A 36 -18.210 -0.257 16.970 1.00 0.00 N ATOM 0 H ASN A 36 -17.288 0.111 13.909 1.00 0.00 H new ATOM 0 HA ASN A 36 -19.620 -1.584 13.469 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -19.098 1.022 15.006 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -20.610 0.136 15.049 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -17.838 -0.803 17.747 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -17.970 0.730 16.878 1.00 0.00 H new ATOM 590 N GLY A 37 -19.162 0.799 11.476 1.00 0.00 N ATOM 591 CA GLY A 37 -19.696 1.630 10.385 1.00 0.00 C ATOM 592 C GLY A 37 -20.047 3.069 10.797 1.00 0.00 C ATOM 593 O GLY A 37 -20.962 3.672 10.233 1.00 0.00 O ATOM 0 H GLY A 37 -18.148 0.691 11.440 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -18.963 1.664 9.579 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -20.589 1.152 9.984 1.00 0.00 H new ATOM 597 N ASN A 38 -19.337 3.613 11.793 1.00 0.00 N ATOM 598 CA ASN A 38 -19.531 4.964 12.343 1.00 0.00 C ATOM 599 C ASN A 38 -18.352 5.858 11.941 1.00 0.00 C ATOM 600 O ASN A 38 -17.207 5.528 12.245 1.00 0.00 O ATOM 601 CB ASN A 38 -19.632 4.884 13.879 1.00 0.00 C ATOM 602 CG ASN A 38 -21.002 4.450 14.368 1.00 0.00 C ATOM 603 OD1 ASN A 38 -21.792 5.247 14.862 1.00 0.00 O ATOM 604 ND2 ASN A 38 -21.335 3.186 14.250 1.00 0.00 N ATOM 0 H ASN A 38 -18.583 3.107 12.257 1.00 0.00 H new ATOM 0 HA ASN A 38 -20.452 5.391 11.945 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -18.883 4.184 14.250 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -19.394 5.860 14.303 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -22.250 2.868 14.569 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -20.679 2.522 13.839 1.00 0.00 H new ATOM 611 N ILE A 39 -18.621 6.978 11.261 1.00 0.00 N ATOM 612 CA ILE A 39 -17.596 7.949 10.862 1.00 0.00 C ATOM 613 C ILE A 39 -17.064 8.673 12.107 1.00 0.00 C ATOM 614 O ILE A 39 -17.806 9.372 12.804 1.00 0.00 O ATOM 615 CB ILE A 39 -18.126 8.918 9.778 1.00 0.00 C ATOM 616 CG1 ILE A 39 -18.590 8.100 8.548 1.00 0.00 C ATOM 617 CG2 ILE A 39 -17.026 9.918 9.372 1.00 0.00 C ATOM 618 CD1 ILE A 39 -19.114 8.909 7.365 1.00 0.00 C ATOM 0 H ILE A 39 -19.563 7.238 10.970 1.00 0.00 H new ATOM 0 HA ILE A 39 -16.759 7.424 10.401 1.00 0.00 H new ATOM 0 HB ILE A 39 -18.970 9.482 10.176 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -17.753 7.492 8.204 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -19.373 7.413 8.868 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -17.412 10.594 8.609 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -16.718 10.494 10.245 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -16.169 9.374 8.975 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -19.409 8.232 6.563 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -19.976 9.497 7.680 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -18.331 9.577 7.006 1.00 0.00 H new ATOM 630 N TYR A 40 -15.771 8.503 12.367 1.00 0.00 N ATOM 631 CA TYR A 40 -15.008 9.120 13.458 1.00 0.00 C ATOM 632 C TYR A 40 -13.778 9.880 12.921 1.00 0.00 C ATOM 633 O TYR A 40 -13.517 9.894 11.713 1.00 0.00 O ATOM 634 CB TYR A 40 -14.626 8.039 14.495 1.00 0.00 C ATOM 635 CG TYR A 40 -13.478 7.126 14.086 1.00 0.00 C ATOM 636 CD1 TYR A 40 -13.721 5.984 13.301 1.00 0.00 C ATOM 637 CD2 TYR A 40 -12.158 7.424 14.482 1.00 0.00 C ATOM 638 CE1 TYR A 40 -12.647 5.195 12.849 1.00 0.00 C ATOM 639 CE2 TYR A 40 -11.085 6.634 14.028 1.00 0.00 C ATOM 640 CZ TYR A 40 -11.323 5.543 13.172 1.00 0.00 C ATOM 641 OH TYR A 40 -10.288 4.849 12.635 1.00 0.00 O ATOM 0 H TYR A 40 -15.189 7.896 11.790 1.00 0.00 H new ATOM 0 HA TYR A 40 -15.630 9.863 13.957 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -14.361 8.533 15.430 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -15.504 7.425 14.696 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -14.734 5.712 13.045 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -11.969 8.262 15.137 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -12.841 4.317 12.251 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -10.077 6.866 14.337 1.00 0.00 H new ATOM 0 HH TYR A 40 -9.454 5.345 12.774 1.00 0.00 H new ATOM 651 N THR A 41 -13.015 10.517 13.816 1.00 0.00 N ATOM 652 CA THR A 41 -11.815 11.310 13.476 1.00 0.00 C ATOM 653 C THR A 41 -10.572 10.874 14.253 1.00 0.00 C ATOM 654 O THR A 41 -10.655 10.548 15.440 1.00 0.00 O ATOM 655 CB THR A 41 -12.049 12.816 13.688 1.00 0.00 C ATOM 656 OG1 THR A 41 -12.684 13.096 14.922 1.00 0.00 O ATOM 657 CG2 THR A 41 -12.914 13.400 12.575 1.00 0.00 C ATOM 0 H THR A 41 -13.213 10.499 14.817 1.00 0.00 H new ATOM 0 HA THR A 41 -11.632 11.120 12.418 1.00 0.00 H new ATOM 0 HB THR A 41 -11.059 13.273 13.683 1.00 0.00 H new ATOM 0 HG1 THR A 41 -12.810 14.064 15.013 1.00 0.00 H new ATOM 0 HG21 THR A 41 -13.063 14.465 12.751 1.00 0.00 H new ATOM 0 HG22 THR A 41 -12.418 13.256 11.615 1.00 0.00 H new ATOM 0 HG23 THR A 41 -13.880 12.896 12.563 1.00 0.00 H new ATOM 665 N GLN A 42 -9.410 10.900 13.590 1.00 0.00 N ATOM 666 CA GLN A 42 -8.121 10.432 14.129 1.00 0.00 C ATOM 667 C GLN A 42 -6.929 11.275 13.646 1.00 0.00 C ATOM 668 O GLN A 42 -6.952 11.754 12.509 1.00 0.00 O ATOM 669 CB GLN A 42 -7.918 8.952 13.758 1.00 0.00 C ATOM 670 CG GLN A 42 -7.991 8.623 12.249 1.00 0.00 C ATOM 671 CD GLN A 42 -7.930 7.125 11.938 1.00 0.00 C ATOM 672 OE1 GLN A 42 -7.904 6.262 12.810 1.00 0.00 O ATOM 673 NE2 GLN A 42 -7.942 6.742 10.680 1.00 0.00 N ATOM 0 H GLN A 42 -9.335 11.256 12.637 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.159 10.545 15.213 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.946 8.632 14.134 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.672 8.360 14.277 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.916 9.031 11.842 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.169 9.124 11.737 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.964 7.438 9.935 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.930 5.749 10.449 1.00 0.00 H new ATOM 682 N PRO A 43 -5.882 11.472 14.470 1.00 0.00 N ATOM 683 CA PRO A 43 -4.693 12.227 14.076 1.00 0.00 C ATOM 684 C PRO A 43 -3.853 11.474 13.032 1.00 0.00 C ATOM 685 O PRO A 43 -3.832 10.240 12.989 1.00 0.00 O ATOM 686 CB PRO A 43 -3.908 12.454 15.371 1.00 0.00 C ATOM 687 CG PRO A 43 -4.299 11.260 16.241 1.00 0.00 C ATOM 688 CD PRO A 43 -5.751 11.003 15.844 1.00 0.00 C ATOM 0 HA PRO A 43 -4.963 13.168 13.598 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -2.834 12.483 15.189 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.177 13.399 15.843 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.668 10.394 16.044 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.206 11.487 17.303 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.994 9.943 15.919 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.436 11.535 16.505 1.00 0.00 H new ATOM 696 N VAL A 44 -3.114 12.229 12.211 1.00 0.00 N ATOM 697 CA VAL A 44 -2.080 11.682 11.316 1.00 0.00 C ATOM 698 C VAL A 44 -0.976 11.045 12.169 1.00 0.00 C ATOM 699 O VAL A 44 -0.348 11.728 12.982 1.00 0.00 O ATOM 700 CB VAL A 44 -1.482 12.785 10.420 1.00 0.00 C ATOM 701 CG1 VAL A 44 -0.392 12.216 9.510 1.00 0.00 C ATOM 702 CG2 VAL A 44 -2.531 13.454 9.523 1.00 0.00 C ATOM 0 H VAL A 44 -3.215 13.242 12.146 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.533 10.933 10.666 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.072 13.529 11.103 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.015 13.013 8.887 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.405 11.789 10.119 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.818 11.440 8.874 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.053 14.222 8.915 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.984 12.706 8.873 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.302 13.910 10.143 1.00 0.00 H new ATOM 712 N ALA A 45 -0.747 9.739 12.006 1.00 0.00 N ATOM 713 CA ALA A 45 0.301 9.029 12.739 1.00 0.00 C ATOM 714 C ALA A 45 1.704 9.353 12.190 1.00 0.00 C ATOM 715 O ALA A 45 2.598 9.711 12.957 1.00 0.00 O ATOM 716 CB ALA A 45 0.015 7.523 12.675 1.00 0.00 C ATOM 0 H ALA A 45 -1.279 9.149 11.367 1.00 0.00 H new ATOM 0 HA ALA A 45 0.292 9.359 13.778 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.790 6.982 13.218 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.956 7.317 13.127 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.007 7.198 11.635 1.00 0.00 H new ATOM 722 N GLN A 46 1.885 9.238 10.867 1.00 0.00 N ATOM 723 CA GLN A 46 3.142 9.448 10.130 1.00 0.00 C ATOM 724 C GLN A 46 2.862 9.920 8.685 1.00 0.00 C ATOM 725 O GLN A 46 1.708 10.022 8.263 1.00 0.00 O ATOM 726 CB GLN A 46 3.971 8.140 10.098 1.00 0.00 C ATOM 727 CG GLN A 46 4.515 7.644 11.448 1.00 0.00 C ATOM 728 CD GLN A 46 5.443 8.632 12.162 1.00 0.00 C ATOM 729 OE1 GLN A 46 6.173 9.414 11.558 1.00 0.00 O ATOM 730 NE2 GLN A 46 5.471 8.627 13.480 1.00 0.00 N ATOM 0 H GLN A 46 1.117 8.982 10.247 1.00 0.00 H new ATOM 0 HA GLN A 46 3.709 10.222 10.647 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.351 7.353 9.669 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.814 8.286 9.422 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.674 7.417 12.103 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.054 6.710 11.287 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.873 7.985 14.000 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.091 9.265 13.979 1.00 0.00 H new ATOM 739 N TRP A 47 3.922 10.159 7.906 1.00 0.00 N ATOM 740 CA TRP A 47 3.866 10.639 6.517 1.00 0.00 C ATOM 741 C TRP A 47 4.837 9.828 5.645 1.00 0.00 C ATOM 742 O TRP A 47 6.001 9.649 6.022 1.00 0.00 O ATOM 743 CB TRP A 47 4.235 12.134 6.481 1.00 0.00 C ATOM 744 CG TRP A 47 3.432 13.046 7.359 1.00 0.00 C ATOM 745 CD1 TRP A 47 2.385 13.814 6.969 1.00 0.00 C ATOM 746 CD2 TRP A 47 3.577 13.278 8.793 1.00 0.00 C ATOM 747 NE1 TRP A 47 1.886 14.509 8.050 1.00 0.00 N ATOM 748 CE2 TRP A 47 2.539 14.161 9.216 1.00 0.00 C ATOM 749 CE3 TRP A 47 4.463 12.808 9.791 1.00 0.00 C ATOM 750 CZ2 TRP A 47 2.347 14.499 10.558 1.00 0.00 C ATOM 751 CZ3 TRP A 47 4.280 13.147 11.145 1.00 0.00 C ATOM 752 CH2 TRP A 47 3.212 13.976 11.532 1.00 0.00 C ATOM 0 H TRP A 47 4.877 10.019 8.235 1.00 0.00 H new ATOM 0 HA TRP A 47 2.857 10.510 6.125 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.285 12.232 6.758 1.00 0.00 H new ATOM 0 HB3 TRP A 47 4.142 12.483 5.453 1.00 0.00 H new ATOM 0 HD1 TRP A 47 1.999 13.873 5.962 1.00 0.00 H new ATOM 0 HE1 TRP A 47 1.131 15.193 7.996 1.00 0.00 H new ATOM 0 HE3 TRP A 47 5.294 12.178 9.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 1.540 15.157 10.844 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 4.963 12.768 11.891 1.00 0.00 H new ATOM 0 HH2 TRP A 47 3.058 14.209 12.575 1.00 0.00 H new ATOM 763 N HIS A 48 4.381 9.360 4.478 1.00 0.00 N ATOM 764 CA HIS A 48 5.167 8.505 3.575 1.00 0.00 C ATOM 765 C HIS A 48 5.068 8.981 2.113 1.00 0.00 C ATOM 766 O HIS A 48 3.999 9.354 1.620 1.00 0.00 O ATOM 767 CB HIS A 48 4.716 7.037 3.697 1.00 0.00 C ATOM 768 CG HIS A 48 4.532 6.529 5.111 1.00 0.00 C ATOM 769 ND1 HIS A 48 5.524 6.129 5.980 1.00 0.00 N ATOM 770 CD2 HIS A 48 3.337 6.366 5.762 1.00 0.00 C ATOM 771 CE1 HIS A 48 4.943 5.738 7.128 1.00 0.00 C ATOM 772 NE2 HIS A 48 3.604 5.864 7.046 1.00 0.00 N ATOM 0 H HIS A 48 3.445 9.565 4.128 1.00 0.00 H new ATOM 0 HA HIS A 48 6.212 8.579 3.875 1.00 0.00 H new ATOM 0 HB2 HIS A 48 3.774 6.918 3.161 1.00 0.00 H new ATOM 0 HB3 HIS A 48 5.450 6.406 3.195 1.00 0.00 H new ATOM 0 HD2 HIS A 48 2.360 6.585 5.358 1.00 0.00 H new ATOM 0 HE1 HIS A 48 5.475 5.374 7.994 1.00 0.00 H new ATOM 0 HE2 HIS A 48 2.922 5.640 7.770 1.00 0.00 H new ATOM 780 N ASP A 49 6.203 8.950 1.412 1.00 0.00 N ATOM 781 CA ASP A 49 6.389 9.500 0.061 1.00 0.00 C ATOM 782 C ASP A 49 7.098 8.476 -0.835 1.00 0.00 C ATOM 783 O ASP A 49 8.208 8.017 -0.543 1.00 0.00 O ATOM 784 CB ASP A 49 7.186 10.815 0.156 1.00 0.00 C ATOM 785 CG ASP A 49 7.731 11.319 -1.195 1.00 0.00 C ATOM 786 OD1 ASP A 49 7.012 11.248 -2.221 1.00 0.00 O ATOM 787 OD2 ASP A 49 8.889 11.798 -1.227 1.00 0.00 O ATOM 0 H ASP A 49 7.053 8.525 1.781 1.00 0.00 H new ATOM 0 HA ASP A 49 5.420 9.714 -0.390 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.546 11.585 0.588 1.00 0.00 H new ATOM 0 HB3 ASP A 49 8.021 10.673 0.842 1.00 0.00 H new ATOM 792 N ARG A 50 6.421 8.111 -1.927 1.00 0.00 N ATOM 793 CA ARG A 50 6.861 7.089 -2.897 1.00 0.00 C ATOM 794 C ARG A 50 7.749 7.659 -4.003 1.00 0.00 C ATOM 795 O ARG A 50 8.546 6.933 -4.600 1.00 0.00 O ATOM 796 CB ARG A 50 5.621 6.452 -3.526 1.00 0.00 C ATOM 797 CG ARG A 50 4.674 5.812 -2.494 1.00 0.00 C ATOM 798 CD ARG A 50 5.293 4.636 -1.722 1.00 0.00 C ATOM 799 NE ARG A 50 5.720 3.544 -2.625 1.00 0.00 N ATOM 800 CZ ARG A 50 6.104 2.325 -2.298 1.00 0.00 C ATOM 801 NH1 ARG A 50 6.169 1.919 -1.060 1.00 0.00 N ATOM 802 NH2 ARG A 50 6.427 1.486 -3.238 1.00 0.00 N ATOM 0 H ARG A 50 5.523 8.528 -2.173 1.00 0.00 H new ATOM 0 HA ARG A 50 7.458 6.355 -2.356 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.076 7.211 -4.087 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.935 5.692 -4.241 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.360 6.575 -1.782 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.777 5.465 -3.006 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.151 4.989 -1.149 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.568 4.251 -1.005 1.00 0.00 H new ATOM 0 HE ARG A 50 5.717 3.760 -3.622 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.918 2.553 -0.302 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.471 0.968 -0.850 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.382 1.773 -4.216 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.725 0.541 -2.997 1.00 0.00 H new ATOM 816 N GLY A 51 7.591 8.950 -4.281 1.00 0.00 N ATOM 817 CA GLY A 51 8.441 9.739 -5.172 1.00 0.00 C ATOM 818 C GLY A 51 7.984 9.779 -6.631 1.00 0.00 C ATOM 819 O GLY A 51 7.888 10.870 -7.183 1.00 0.00 O ATOM 0 H GLY A 51 6.834 9.500 -3.874 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.490 10.760 -4.794 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.453 9.337 -5.135 1.00 0.00 H new ATOM 823 N GLU A 52 7.680 8.629 -7.252 1.00 0.00 N ATOM 824 CA GLU A 52 7.329 8.506 -8.687 1.00 0.00 C ATOM 825 C GLU A 52 6.839 7.084 -9.028 1.00 0.00 C ATOM 826 O GLU A 52 7.642 6.164 -9.217 1.00 0.00 O ATOM 827 CB GLU A 52 8.515 8.801 -9.631 1.00 0.00 C ATOM 828 CG GLU A 52 8.811 10.277 -9.944 1.00 0.00 C ATOM 829 CD GLU A 52 9.625 10.472 -11.241 1.00 0.00 C ATOM 830 OE1 GLU A 52 10.463 9.607 -11.597 1.00 0.00 O ATOM 831 OE2 GLU A 52 9.464 11.526 -11.905 1.00 0.00 O ATOM 0 H GLU A 52 7.669 7.733 -6.764 1.00 0.00 H new ATOM 0 HA GLU A 52 6.544 9.246 -8.842 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.412 8.361 -9.195 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.333 8.285 -10.574 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.869 10.820 -10.029 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.358 10.716 -9.110 1.00 0.00 H new ATOM 838 N GLN A 53 5.522 6.906 -9.143 1.00 0.00 N ATOM 839 CA GLN A 53 4.885 5.664 -9.611 1.00 0.00 C ATOM 840 C GLN A 53 3.823 5.926 -10.694 1.00 0.00 C ATOM 841 O GLN A 53 3.433 7.066 -10.937 1.00 0.00 O ATOM 842 CB GLN A 53 4.280 4.943 -8.400 1.00 0.00 C ATOM 843 CG GLN A 53 5.360 4.708 -7.328 1.00 0.00 C ATOM 844 CD GLN A 53 4.895 3.974 -6.095 1.00 0.00 C ATOM 845 OE1 GLN A 53 5.557 3.084 -5.572 1.00 0.00 O ATOM 846 NE2 GLN A 53 3.829 4.414 -5.466 1.00 0.00 N ATOM 0 H GLN A 53 4.849 7.636 -8.909 1.00 0.00 H new ATOM 0 HA GLN A 53 5.641 5.033 -10.079 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.466 5.537 -7.983 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.852 3.990 -8.711 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.179 4.147 -7.778 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.764 5.674 -7.025 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.262 5.154 -5.880 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.569 4.016 -4.564 1.00 0.00 H new ATOM 855 N GLU A 54 3.369 4.868 -11.369 1.00 0.00 N ATOM 856 CA GLU A 54 2.376 4.923 -12.453 1.00 0.00 C ATOM 857 C GLU A 54 0.990 5.425 -11.995 1.00 0.00 C ATOM 858 O GLU A 54 0.238 4.704 -11.338 1.00 0.00 O ATOM 859 CB GLU A 54 2.304 3.554 -13.173 1.00 0.00 C ATOM 860 CG GLU A 54 2.079 2.319 -12.276 1.00 0.00 C ATOM 861 CD GLU A 54 2.179 1.016 -13.083 1.00 0.00 C ATOM 862 OE1 GLU A 54 1.153 0.557 -13.650 1.00 0.00 O ATOM 863 OE2 GLU A 54 3.284 0.418 -13.143 1.00 0.00 O ATOM 0 H GLU A 54 3.689 3.920 -11.173 1.00 0.00 H new ATOM 0 HA GLU A 54 2.715 5.673 -13.168 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.498 3.595 -13.906 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.232 3.410 -13.727 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.817 2.310 -11.474 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.098 2.383 -11.805 1.00 0.00 H new ATOM 870 N VAL A 55 0.639 6.668 -12.347 1.00 0.00 N ATOM 871 CA VAL A 55 -0.643 7.307 -11.990 1.00 0.00 C ATOM 872 C VAL A 55 -1.632 7.294 -13.156 1.00 0.00 C ATOM 873 O VAL A 55 -1.287 7.569 -14.309 1.00 0.00 O ATOM 874 CB VAL A 55 -0.449 8.758 -11.501 1.00 0.00 C ATOM 875 CG1 VAL A 55 -1.756 9.395 -11.005 1.00 0.00 C ATOM 876 CG2 VAL A 55 0.519 8.799 -10.319 1.00 0.00 C ATOM 0 H VAL A 55 1.247 7.273 -12.899 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.055 6.715 -11.173 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.070 9.309 -12.362 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.561 10.415 -10.673 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.484 9.410 -11.816 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.152 8.812 -10.173 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.644 9.830 -9.987 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.120 8.200 -9.501 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.485 8.397 -10.625 1.00 0.00 H new ATOM 886 N PHE A 56 -2.894 7.057 -12.815 1.00 0.00 N ATOM 887 CA PHE A 56 -4.033 7.032 -13.732 1.00 0.00 C ATOM 888 C PHE A 56 -5.130 8.000 -13.268 1.00 0.00 C ATOM 889 O PHE A 56 -5.250 8.313 -12.081 1.00 0.00 O ATOM 890 CB PHE A 56 -4.574 5.596 -13.809 1.00 0.00 C ATOM 891 CG PHE A 56 -3.540 4.543 -14.173 1.00 0.00 C ATOM 892 CD1 PHE A 56 -2.683 4.023 -13.185 1.00 0.00 C ATOM 893 CD2 PHE A 56 -3.406 4.112 -15.504 1.00 0.00 C ATOM 894 CE1 PHE A 56 -1.662 3.124 -13.534 1.00 0.00 C ATOM 895 CE2 PHE A 56 -2.396 3.195 -15.850 1.00 0.00 C ATOM 896 CZ PHE A 56 -1.506 2.726 -14.872 1.00 0.00 C ATOM 0 H PHE A 56 -3.165 6.869 -11.850 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.709 7.355 -14.721 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.013 5.336 -12.846 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.378 5.565 -14.544 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.811 4.317 -12.154 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.079 4.485 -16.262 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.998 2.739 -12.774 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.306 2.852 -16.870 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.702 2.060 -15.148 1.00 0.00 H new ATOM 906 N GLU A 57 -5.940 8.466 -14.217 1.00 0.00 N ATOM 907 CA GLU A 57 -7.127 9.288 -13.967 1.00 0.00 C ATOM 908 C GLU A 57 -8.377 8.404 -14.045 1.00 0.00 C ATOM 909 O GLU A 57 -8.748 7.938 -15.127 1.00 0.00 O ATOM 910 CB GLU A 57 -7.200 10.419 -15.005 1.00 0.00 C ATOM 911 CG GLU A 57 -8.368 11.376 -14.768 1.00 0.00 C ATOM 912 CD GLU A 57 -8.165 12.666 -15.584 1.00 0.00 C ATOM 913 OE1 GLU A 57 -8.517 12.697 -16.791 1.00 0.00 O ATOM 914 OE2 GLU A 57 -7.640 13.653 -15.013 1.00 0.00 O ATOM 0 H GLU A 57 -5.786 8.278 -15.208 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.068 9.733 -12.974 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.267 10.982 -14.986 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.290 9.985 -16.001 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -9.305 10.898 -15.055 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.444 11.615 -13.707 1.00 0.00 H new ATOM 921 N TYR A 58 -9.024 8.170 -12.905 1.00 0.00 N ATOM 922 CA TYR A 58 -10.270 7.404 -12.816 1.00 0.00 C ATOM 923 C TYR A 58 -11.462 8.375 -12.799 1.00 0.00 C ATOM 924 O TYR A 58 -11.724 9.051 -11.799 1.00 0.00 O ATOM 925 CB TYR A 58 -10.247 6.470 -11.597 1.00 0.00 C ATOM 926 CG TYR A 58 -8.972 5.666 -11.432 1.00 0.00 C ATOM 927 CD1 TYR A 58 -8.785 4.459 -12.135 1.00 0.00 C ATOM 928 CD2 TYR A 58 -7.965 6.146 -10.572 1.00 0.00 C ATOM 929 CE1 TYR A 58 -7.594 3.725 -11.968 1.00 0.00 C ATOM 930 CE2 TYR A 58 -6.772 5.422 -10.416 1.00 0.00 C ATOM 931 CZ TYR A 58 -6.585 4.208 -11.106 1.00 0.00 C ATOM 932 OH TYR A 58 -5.422 3.524 -10.955 1.00 0.00 O ATOM 0 H TYR A 58 -8.694 8.512 -12.002 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.376 6.762 -13.691 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.402 7.066 -10.698 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -11.087 5.780 -11.671 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.554 4.097 -12.801 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -8.110 7.070 -10.033 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -7.453 2.795 -12.498 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -5.996 5.797 -9.765 1.00 0.00 H new ATOM 0 HH TYR A 58 -4.841 4.001 -10.326 1.00 0.00 H new ATOM 942 N CYS A 59 -12.145 8.500 -13.935 1.00 0.00 N ATOM 943 CA CYS A 59 -13.314 9.364 -14.101 1.00 0.00 C ATOM 944 C CYS A 59 -14.589 8.673 -13.589 1.00 0.00 C ATOM 945 O CYS A 59 -14.725 7.457 -13.712 1.00 0.00 O ATOM 946 CB CYS A 59 -13.414 9.717 -15.593 1.00 0.00 C ATOM 947 SG CYS A 59 -14.680 10.990 -15.867 1.00 0.00 S ATOM 0 H CYS A 59 -11.897 7.993 -14.784 1.00 0.00 H new ATOM 0 HA CYS A 59 -13.207 10.274 -13.511 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -12.449 10.073 -15.953 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -13.659 8.824 -16.168 1.00 0.00 H new ATOM 0 HG CYS A 59 -14.744 11.273 -17.134 1.00 0.00 H new ATOM 953 N LEU A 60 -15.540 9.431 -13.045 1.00 0.00 N ATOM 954 CA LEU A 60 -16.797 8.925 -12.475 1.00 0.00 C ATOM 955 C LEU A 60 -18.025 9.218 -13.347 1.00 0.00 C ATOM 956 O LEU A 60 -18.032 10.124 -14.178 1.00 0.00 O ATOM 957 CB LEU A 60 -16.980 9.518 -11.063 1.00 0.00 C ATOM 958 CG LEU A 60 -16.946 8.487 -9.922 1.00 0.00 C ATOM 959 CD1 LEU A 60 -15.710 7.588 -9.918 1.00 0.00 C ATOM 960 CD2 LEU A 60 -16.992 9.228 -8.590 1.00 0.00 C ATOM 0 H LEU A 60 -15.459 10.446 -12.985 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.722 7.839 -12.427 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.197 10.257 -10.890 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.932 10.048 -11.027 1.00 0.00 H new ATOM 0 HG LEU A 60 -17.809 7.839 -10.075 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -15.769 6.892 -9.081 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -15.664 7.028 -10.852 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.814 8.201 -9.818 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -16.968 8.508 -7.772 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -16.131 9.892 -8.513 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -17.909 9.814 -8.531 1.00 0.00 H new ATOM 972 N GLU A 61 -19.097 8.461 -13.100 1.00 0.00 N ATOM 973 CA GLU A 61 -20.349 8.529 -13.882 1.00 0.00 C ATOM 974 C GLU A 61 -21.114 9.857 -13.702 1.00 0.00 C ATOM 975 O GLU A 61 -21.922 10.240 -14.549 1.00 0.00 O ATOM 976 CB GLU A 61 -21.274 7.350 -13.527 1.00 0.00 C ATOM 977 CG GLU A 61 -20.588 5.976 -13.609 1.00 0.00 C ATOM 978 CD GLU A 61 -21.476 4.914 -14.273 1.00 0.00 C ATOM 979 OE1 GLU A 61 -21.686 4.978 -15.508 1.00 0.00 O ATOM 980 OE2 GLU A 61 -21.892 3.943 -13.596 1.00 0.00 O ATOM 0 H GLU A 61 -19.128 7.775 -12.346 1.00 0.00 H new ATOM 0 HA GLU A 61 -20.051 8.470 -14.929 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -21.659 7.494 -12.517 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -22.132 7.358 -14.199 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -19.659 6.071 -14.171 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -20.322 5.646 -12.605 1.00 0.00 H new ATOM 987 N ASP A 62 -20.832 10.575 -12.609 1.00 0.00 N ATOM 988 CA ASP A 62 -21.371 11.913 -12.314 1.00 0.00 C ATOM 989 C ASP A 62 -20.510 13.053 -12.904 1.00 0.00 C ATOM 990 O ASP A 62 -20.969 14.196 -12.999 1.00 0.00 O ATOM 991 CB ASP A 62 -21.505 12.047 -10.789 1.00 0.00 C ATOM 992 CG ASP A 62 -22.161 13.366 -10.349 1.00 0.00 C ATOM 993 OD1 ASP A 62 -23.369 13.566 -10.626 1.00 0.00 O ATOM 994 OD2 ASP A 62 -21.485 14.185 -9.681 1.00 0.00 O ATOM 0 H ASP A 62 -20.204 10.233 -11.882 1.00 0.00 H new ATOM 0 HA ASP A 62 -22.346 12.011 -12.792 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -22.093 11.212 -10.408 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -20.516 11.973 -10.337 1.00 0.00 H new ATOM 999 N GLY A 63 -19.270 12.755 -13.320 1.00 0.00 N ATOM 1000 CA GLY A 63 -18.328 13.700 -13.941 1.00 0.00 C ATOM 1001 C GLY A 63 -17.073 13.992 -13.106 1.00 0.00 C ATOM 1002 O GLY A 63 -16.188 14.716 -13.569 1.00 0.00 O ATOM 0 H GLY A 63 -18.881 11.816 -13.230 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -18.021 13.303 -14.909 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -18.848 14.639 -14.132 1.00 0.00 H new ATOM 1006 N SER A 64 -16.993 13.465 -11.878 1.00 0.00 N ATOM 1007 CA SER A 64 -15.846 13.657 -10.971 1.00 0.00 C ATOM 1008 C SER A 64 -14.586 12.886 -11.413 1.00 0.00 C ATOM 1009 O SER A 64 -14.624 12.068 -12.336 1.00 0.00 O ATOM 1010 CB SER A 64 -16.244 13.291 -9.541 1.00 0.00 C ATOM 1011 OG SER A 64 -15.339 13.925 -8.655 1.00 0.00 O ATOM 0 H SER A 64 -17.731 12.885 -11.478 1.00 0.00 H new ATOM 0 HA SER A 64 -15.578 14.713 -11.012 1.00 0.00 H new ATOM 0 HB2 SER A 64 -17.265 13.613 -9.336 1.00 0.00 H new ATOM 0 HB3 SER A 64 -16.217 12.210 -9.403 1.00 0.00 H new ATOM 0 HG SER A 64 -15.823 14.240 -7.863 1.00 0.00 H new ATOM 1017 N LEU A 65 -13.457 13.145 -10.746 1.00 0.00 N ATOM 1018 CA LEU A 65 -12.117 12.676 -11.110 1.00 0.00 C ATOM 1019 C LEU A 65 -11.302 12.272 -9.868 1.00 0.00 C ATOM 1020 O LEU A 65 -11.344 12.942 -8.832 1.00 0.00 O ATOM 1021 CB LEU A 65 -11.387 13.808 -11.863 1.00 0.00 C ATOM 1022 CG LEU A 65 -11.951 14.158 -13.254 1.00 0.00 C ATOM 1023 CD1 LEU A 65 -11.305 15.445 -13.766 1.00 0.00 C ATOM 1024 CD2 LEU A 65 -11.659 13.058 -14.274 1.00 0.00 C ATOM 0 H LEU A 65 -13.453 13.713 -9.899 1.00 0.00 H new ATOM 0 HA LEU A 65 -12.215 11.794 -11.742 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.412 14.705 -11.245 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.340 13.528 -11.976 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.029 14.273 -13.144 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.707 15.688 -14.750 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -11.520 16.260 -13.075 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.226 15.306 -13.839 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -12.072 13.341 -15.242 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.581 12.923 -14.365 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -12.115 12.125 -13.943 1.00 0.00 H new ATOM 1036 N ILE A 66 -10.527 11.191 -10.002 1.00 0.00 N ATOM 1037 CA ILE A 66 -9.670 10.595 -8.955 1.00 0.00 C ATOM 1038 C ILE A 66 -8.286 10.298 -9.560 1.00 0.00 C ATOM 1039 O ILE A 66 -8.190 9.909 -10.728 1.00 0.00 O ATOM 1040 CB ILE A 66 -10.329 9.302 -8.407 1.00 0.00 C ATOM 1041 CG1 ILE A 66 -11.746 9.539 -7.835 1.00 0.00 C ATOM 1042 CG2 ILE A 66 -9.452 8.620 -7.335 1.00 0.00 C ATOM 1043 CD1 ILE A 66 -12.586 8.260 -7.799 1.00 0.00 C ATOM 0 H ILE A 66 -10.473 10.679 -10.882 1.00 0.00 H new ATOM 0 HA ILE A 66 -9.553 11.289 -8.123 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.422 8.641 -9.269 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -11.664 9.944 -6.826 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.257 10.289 -8.439 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -9.950 7.719 -6.977 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.488 8.354 -7.769 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.298 9.305 -6.501 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -13.571 8.483 -7.389 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -12.694 7.867 -8.810 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -12.092 7.518 -7.172 1.00 0.00 H new ATOM 1055 N ARG A 67 -7.214 10.477 -8.775 1.00 0.00 N ATOM 1056 CA ARG A 67 -5.810 10.414 -9.236 1.00 0.00 C ATOM 1057 C ARG A 67 -4.952 9.565 -8.296 1.00 0.00 C ATOM 1058 O ARG A 67 -4.553 10.013 -7.219 1.00 0.00 O ATOM 1059 CB ARG A 67 -5.232 11.833 -9.349 1.00 0.00 C ATOM 1060 CG ARG A 67 -5.922 12.739 -10.377 1.00 0.00 C ATOM 1061 CD ARG A 67 -5.433 12.437 -11.793 1.00 0.00 C ATOM 1062 NE ARG A 67 -5.831 13.476 -12.761 1.00 0.00 N ATOM 1063 CZ ARG A 67 -5.252 14.641 -12.992 1.00 0.00 C ATOM 1064 NH1 ARG A 67 -4.234 15.087 -12.307 1.00 0.00 N ATOM 1065 NH2 ARG A 67 -5.715 15.381 -13.950 1.00 0.00 N ATOM 0 H ARG A 67 -7.296 10.675 -7.778 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.796 9.940 -10.218 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -5.290 12.311 -8.371 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.175 11.758 -9.606 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -7.002 12.598 -10.324 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.725 13.784 -10.136 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -4.347 12.347 -11.787 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.831 11.474 -12.114 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.657 13.269 -13.323 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.845 14.527 -11.548 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.827 15.995 -12.531 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -6.508 15.060 -14.505 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -5.286 16.285 -14.149 1.00 0.00 H new ATOM 1079 N ALA A 68 -4.685 8.330 -8.707 1.00 0.00 N ATOM 1080 CA ALA A 68 -4.003 7.324 -7.884 1.00 0.00 C ATOM 1081 C ALA A 68 -3.249 6.270 -8.713 1.00 0.00 C ATOM 1082 O ALA A 68 -3.458 6.135 -9.924 1.00 0.00 O ATOM 1083 CB ALA A 68 -5.063 6.646 -6.999 1.00 0.00 C ATOM 0 H ALA A 68 -4.938 7.989 -9.635 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.244 7.828 -7.285 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.586 5.891 -6.374 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.540 7.394 -6.365 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.815 6.172 -7.630 1.00 0.00 H new ATOM 1089 N THR A 69 -2.388 5.494 -8.052 1.00 0.00 N ATOM 1090 CA THR A 69 -1.784 4.290 -8.648 1.00 0.00 C ATOM 1091 C THR A 69 -2.773 3.121 -8.631 1.00 0.00 C ATOM 1092 O THR A 69 -3.747 3.119 -7.876 1.00 0.00 O ATOM 1093 CB THR A 69 -0.491 3.860 -7.939 1.00 0.00 C ATOM 1094 OG1 THR A 69 -0.702 3.561 -6.578 1.00 0.00 O ATOM 1095 CG2 THR A 69 0.612 4.907 -8.030 1.00 0.00 C ATOM 0 H THR A 69 -2.088 5.676 -7.094 1.00 0.00 H new ATOM 0 HA THR A 69 -1.533 4.555 -9.675 1.00 0.00 H new ATOM 0 HB THR A 69 -0.173 2.962 -8.468 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.176 2.772 -6.331 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.500 4.546 -7.511 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.853 5.091 -9.077 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.273 5.834 -7.567 1.00 0.00 H new ATOM 1103 N LYS A 70 -2.499 2.088 -9.438 1.00 0.00 N ATOM 1104 CA LYS A 70 -3.295 0.841 -9.484 1.00 0.00 C ATOM 1105 C LYS A 70 -3.073 -0.092 -8.282 1.00 0.00 C ATOM 1106 O LYS A 70 -3.754 -1.108 -8.154 1.00 0.00 O ATOM 1107 CB LYS A 70 -3.054 0.104 -10.821 1.00 0.00 C ATOM 1108 CG LYS A 70 -4.033 0.606 -11.899 1.00 0.00 C ATOM 1109 CD LYS A 70 -4.179 -0.324 -13.116 1.00 0.00 C ATOM 1110 CE LYS A 70 -3.191 -0.100 -14.266 1.00 0.00 C ATOM 1111 NZ LYS A 70 -1.818 -0.602 -13.964 1.00 0.00 N ATOM 0 H LYS A 70 -1.712 2.088 -10.086 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.341 1.142 -9.419 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.028 0.264 -11.151 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.180 -0.969 -10.679 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.014 0.744 -11.444 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.701 1.585 -12.244 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.077 -1.354 -12.773 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.190 -0.217 -13.508 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.565 -0.598 -15.161 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.141 0.965 -14.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.139 0.183 -14.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.797 -1.000 -13.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.559 -1.340 -14.650 1.00 0.00 H new ATOM 1125 N ASP A 71 -2.141 0.254 -7.396 1.00 0.00 N ATOM 1126 CA ASP A 71 -1.737 -0.537 -6.230 1.00 0.00 C ATOM 1127 C ASP A 71 -2.424 -0.074 -4.935 1.00 0.00 C ATOM 1128 O ASP A 71 -2.490 -0.839 -3.970 1.00 0.00 O ATOM 1129 CB ASP A 71 -0.219 -0.413 -6.044 1.00 0.00 C ATOM 1130 CG ASP A 71 0.591 -0.852 -7.272 1.00 0.00 C ATOM 1131 OD1 ASP A 71 0.806 -2.076 -7.451 1.00 0.00 O ATOM 1132 OD2 ASP A 71 1.029 0.028 -8.052 1.00 0.00 O ATOM 0 H ASP A 71 -1.624 1.130 -7.472 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.036 -1.568 -6.418 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.026 0.623 -5.810 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.083 -1.014 -5.186 1.00 0.00 H new ATOM 1137 N HIS A 72 -2.929 1.168 -4.891 1.00 0.00 N ATOM 1138 CA HIS A 72 -3.654 1.676 -3.720 1.00 0.00 C ATOM 1139 C HIS A 72 -5.027 0.981 -3.649 1.00 0.00 C ATOM 1140 O HIS A 72 -5.757 0.939 -4.649 1.00 0.00 O ATOM 1141 CB HIS A 72 -3.839 3.199 -3.838 1.00 0.00 C ATOM 1142 CG HIS A 72 -4.171 3.899 -2.535 1.00 0.00 C ATOM 1143 ND1 HIS A 72 -5.008 3.492 -1.518 1.00 0.00 N ATOM 1144 CD2 HIS A 72 -3.632 5.089 -2.130 1.00 0.00 C ATOM 1145 CE1 HIS A 72 -4.933 4.391 -0.522 1.00 0.00 C ATOM 1146 NE2 HIS A 72 -4.106 5.395 -0.851 1.00 0.00 N ATOM 0 H HIS A 72 -2.848 1.839 -5.655 1.00 0.00 H new ATOM 0 HA HIS A 72 -3.087 1.465 -2.813 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -2.925 3.632 -4.245 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -4.634 3.400 -4.556 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -5.586 2.652 -1.521 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -2.949 5.696 -2.706 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -5.465 4.316 0.415 1.00 0.00 H new ATOM 1154 N LYS A 73 -5.409 0.449 -2.480 1.00 0.00 N ATOM 1155 CA LYS A 73 -6.743 -0.145 -2.275 1.00 0.00 C ATOM 1156 C LYS A 73 -7.774 0.927 -1.907 1.00 0.00 C ATOM 1157 O LYS A 73 -7.421 2.012 -1.444 1.00 0.00 O ATOM 1158 CB LYS A 73 -6.675 -1.302 -1.255 1.00 0.00 C ATOM 1159 CG LYS A 73 -5.738 -2.435 -1.712 1.00 0.00 C ATOM 1160 CD LYS A 73 -5.184 -3.232 -0.525 1.00 0.00 C ATOM 1161 CE LYS A 73 -4.029 -4.112 -1.015 1.00 0.00 C ATOM 1162 NZ LYS A 73 -3.417 -4.884 0.100 1.00 0.00 N ATOM 0 H LYS A 73 -4.810 0.417 -1.655 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.083 -0.580 -3.215 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.332 -0.916 -0.295 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.676 -1.704 -1.098 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.278 -3.106 -2.379 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.911 -2.014 -2.284 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.837 -2.554 0.255 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.968 -3.849 -0.086 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.393 -4.800 -1.778 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.270 -3.488 -1.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.639 -5.468 -0.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -3.047 -4.226 0.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.136 -5.498 0.533 1.00 0.00 H new ATOM 1176 N PHE A 74 -9.048 0.646 -2.139 1.00 0.00 N ATOM 1177 CA PHE A 74 -10.166 1.575 -1.936 1.00 0.00 C ATOM 1178 C PHE A 74 -11.359 0.831 -1.324 1.00 0.00 C ATOM 1179 O PHE A 74 -11.615 -0.329 -1.652 1.00 0.00 O ATOM 1180 CB PHE A 74 -10.579 2.196 -3.278 1.00 0.00 C ATOM 1181 CG PHE A 74 -9.816 3.423 -3.747 1.00 0.00 C ATOM 1182 CD1 PHE A 74 -8.489 3.305 -4.203 1.00 0.00 C ATOM 1183 CD2 PHE A 74 -10.460 4.676 -3.803 1.00 0.00 C ATOM 1184 CE1 PHE A 74 -7.791 4.432 -4.666 1.00 0.00 C ATOM 1185 CE2 PHE A 74 -9.758 5.810 -4.254 1.00 0.00 C ATOM 1186 CZ PHE A 74 -8.420 5.689 -4.679 1.00 0.00 C ATOM 0 H PHE A 74 -9.349 -0.265 -2.486 1.00 0.00 H new ATOM 0 HA PHE A 74 -9.850 2.366 -1.256 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -10.487 1.428 -4.046 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -11.635 2.460 -3.216 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -8.004 2.340 -4.197 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -11.493 4.766 -3.500 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -6.773 4.333 -5.012 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -10.245 6.774 -4.274 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.878 6.561 -5.014 1.00 0.00 H new ATOM 1196 N MET A 75 -12.088 1.510 -0.434 1.00 0.00 N ATOM 1197 CA MET A 75 -13.190 0.940 0.340 1.00 0.00 C ATOM 1198 C MET A 75 -14.506 0.973 -0.455 1.00 0.00 C ATOM 1199 O MET A 75 -15.070 2.041 -0.715 1.00 0.00 O ATOM 1200 CB MET A 75 -13.299 1.688 1.677 1.00 0.00 C ATOM 1201 CG MET A 75 -13.881 0.808 2.785 1.00 0.00 C ATOM 1202 SD MET A 75 -13.597 1.449 4.457 1.00 0.00 S ATOM 1203 CE MET A 75 -14.741 2.854 4.472 1.00 0.00 C ATOM 0 H MET A 75 -11.923 2.495 -0.228 1.00 0.00 H new ATOM 0 HA MET A 75 -12.987 -0.111 0.546 1.00 0.00 H new ATOM 0 HB2 MET A 75 -12.312 2.040 1.976 1.00 0.00 H new ATOM 0 HB3 MET A 75 -13.927 2.570 1.548 1.00 0.00 H new ATOM 0 HG2 MET A 75 -14.954 0.701 2.625 1.00 0.00 H new ATOM 0 HG3 MET A 75 -13.446 -0.189 2.710 1.00 0.00 H new ATOM 0 HE1 MET A 75 -14.335 3.647 5.100 1.00 0.00 H new ATOM 0 HE2 MET A 75 -14.873 3.227 3.456 1.00 0.00 H new ATOM 0 HE3 MET A 75 -15.705 2.534 4.869 1.00 0.00 H new ATOM 1213 N THR A 76 -14.994 -0.199 -0.869 1.00 0.00 N ATOM 1214 CA THR A 76 -16.276 -0.326 -1.590 1.00 0.00 C ATOM 1215 C THR A 76 -17.485 -0.069 -0.689 1.00 0.00 C ATOM 1216 O THR A 76 -17.354 0.106 0.524 1.00 0.00 O ATOM 1217 CB THR A 76 -16.427 -1.701 -2.255 1.00 0.00 C ATOM 1218 OG1 THR A 76 -16.436 -2.716 -1.277 1.00 0.00 O ATOM 1219 CG2 THR A 76 -15.303 -1.937 -3.255 1.00 0.00 C ATOM 0 H THR A 76 -14.518 -1.088 -0.717 1.00 0.00 H new ATOM 0 HA THR A 76 -16.252 0.443 -2.362 1.00 0.00 H new ATOM 0 HB THR A 76 -17.375 -1.725 -2.792 1.00 0.00 H new ATOM 0 HG1 THR A 76 -16.534 -3.589 -1.712 1.00 0.00 H new ATOM 0 HG21 THR A 76 -15.426 -2.917 -3.717 1.00 0.00 H new ATOM 0 HG22 THR A 76 -15.334 -1.166 -4.025 1.00 0.00 H new ATOM 0 HG23 THR A 76 -14.343 -1.897 -2.740 1.00 0.00 H new ATOM 1227 N VAL A 77 -18.690 -0.089 -1.271 1.00 0.00 N ATOM 1228 CA VAL A 77 -19.961 0.040 -0.533 1.00 0.00 C ATOM 1229 C VAL A 77 -20.152 -0.980 0.606 1.00 0.00 C ATOM 1230 O VAL A 77 -20.845 -0.684 1.581 1.00 0.00 O ATOM 1231 CB VAL A 77 -21.178 -0.021 -1.476 1.00 0.00 C ATOM 1232 CG1 VAL A 77 -21.181 1.172 -2.433 1.00 0.00 C ATOM 1233 CG2 VAL A 77 -21.244 -1.311 -2.306 1.00 0.00 C ATOM 0 H VAL A 77 -18.816 -0.196 -2.278 1.00 0.00 H new ATOM 0 HA VAL A 77 -19.896 1.024 -0.068 1.00 0.00 H new ATOM 0 HB VAL A 77 -22.052 0.003 -0.825 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -22.049 1.109 -3.090 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -21.226 2.098 -1.860 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -20.271 1.160 -3.032 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -22.125 -1.286 -2.947 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -20.349 -1.393 -2.922 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -21.305 -2.170 -1.638 1.00 0.00 H new ATOM 1243 N ASP A 78 -19.524 -2.159 0.512 1.00 0.00 N ATOM 1244 CA ASP A 78 -19.567 -3.216 1.540 1.00 0.00 C ATOM 1245 C ASP A 78 -18.387 -3.159 2.531 1.00 0.00 C ATOM 1246 O ASP A 78 -18.390 -3.876 3.536 1.00 0.00 O ATOM 1247 CB ASP A 78 -19.596 -4.590 0.854 1.00 0.00 C ATOM 1248 CG ASP A 78 -20.937 -4.870 0.159 1.00 0.00 C ATOM 1249 OD1 ASP A 78 -21.975 -4.967 0.857 1.00 0.00 O ATOM 1250 OD2 ASP A 78 -20.955 -5.034 -1.086 1.00 0.00 O ATOM 0 H ASP A 78 -18.958 -2.414 -0.298 1.00 0.00 H new ATOM 0 HA ASP A 78 -20.472 -3.051 2.125 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -18.792 -4.644 0.120 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -19.405 -5.367 1.594 1.00 0.00 H new ATOM 1255 N GLY A 79 -17.377 -2.323 2.265 1.00 0.00 N ATOM 1256 CA GLY A 79 -16.189 -2.163 3.114 1.00 0.00 C ATOM 1257 C GLY A 79 -14.963 -2.976 2.670 1.00 0.00 C ATOM 1258 O GLY A 79 -13.986 -3.052 3.419 1.00 0.00 O ATOM 0 H GLY A 79 -17.361 -1.727 1.438 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -15.917 -1.108 3.139 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -16.447 -2.450 4.133 1.00 0.00 H new ATOM 1262 N GLN A 80 -14.998 -3.601 1.485 1.00 0.00 N ATOM 1263 CA GLN A 80 -13.886 -4.407 0.956 1.00 0.00 C ATOM 1264 C GLN A 80 -12.656 -3.532 0.664 1.00 0.00 C ATOM 1265 O GLN A 80 -12.797 -2.388 0.239 1.00 0.00 O ATOM 1266 CB GLN A 80 -14.313 -5.131 -0.334 1.00 0.00 C ATOM 1267 CG GLN A 80 -15.569 -6.008 -0.201 1.00 0.00 C ATOM 1268 CD GLN A 80 -15.345 -7.219 0.702 1.00 0.00 C ATOM 1269 OE1 GLN A 80 -15.666 -7.219 1.886 1.00 0.00 O ATOM 1270 NE2 GLN A 80 -14.779 -8.293 0.191 1.00 0.00 N ATOM 0 H GLN A 80 -15.804 -3.562 0.861 1.00 0.00 H new ATOM 0 HA GLN A 80 -13.621 -5.142 1.716 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -14.489 -4.386 -1.110 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -13.486 -5.755 -0.673 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -16.387 -5.408 0.198 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -15.877 -6.348 -1.190 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -14.507 -8.307 -0.792 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -14.613 -9.110 0.778 1.00 0.00 H new ATOM 1279 N MET A 81 -11.454 -4.089 0.840 1.00 0.00 N ATOM 1280 CA MET A 81 -10.162 -3.410 0.656 1.00 0.00 C ATOM 1281 C MET A 81 -9.443 -3.982 -0.574 1.00 0.00 C ATOM 1282 O MET A 81 -8.576 -4.853 -0.464 1.00 0.00 O ATOM 1283 CB MET A 81 -9.327 -3.531 1.945 1.00 0.00 C ATOM 1284 CG MET A 81 -9.896 -2.658 3.071 1.00 0.00 C ATOM 1285 SD MET A 81 -9.224 -3.030 4.714 1.00 0.00 S ATOM 1286 CE MET A 81 -10.592 -4.027 5.374 1.00 0.00 C ATOM 0 H MET A 81 -11.347 -5.062 1.125 1.00 0.00 H new ATOM 0 HA MET A 81 -10.316 -2.347 0.469 1.00 0.00 H new ATOM 0 HB2 MET A 81 -9.304 -4.572 2.268 1.00 0.00 H new ATOM 0 HB3 MET A 81 -8.297 -3.237 1.741 1.00 0.00 H new ATOM 0 HG2 MET A 81 -9.699 -1.611 2.839 1.00 0.00 H new ATOM 0 HG3 MET A 81 -10.979 -2.780 3.098 1.00 0.00 H new ATOM 0 HE1 MET A 81 -10.353 -4.347 6.388 1.00 0.00 H new ATOM 0 HE2 MET A 81 -11.504 -3.430 5.388 1.00 0.00 H new ATOM 0 HE3 MET A 81 -10.742 -4.903 4.743 1.00 0.00 H new ATOM 1296 N LEU A 82 -9.845 -3.511 -1.760 1.00 0.00 N ATOM 1297 CA LEU A 82 -9.416 -4.025 -3.072 1.00 0.00 C ATOM 1298 C LEU A 82 -8.713 -2.921 -3.878 1.00 0.00 C ATOM 1299 O LEU A 82 -9.099 -1.754 -3.746 1.00 0.00 O ATOM 1300 CB LEU A 82 -10.645 -4.526 -3.864 1.00 0.00 C ATOM 1301 CG LEU A 82 -11.581 -5.491 -3.117 1.00 0.00 C ATOM 1302 CD1 LEU A 82 -12.787 -5.834 -3.992 1.00 0.00 C ATOM 1303 CD2 LEU A 82 -10.888 -6.790 -2.705 1.00 0.00 C ATOM 0 H LEU A 82 -10.501 -2.734 -1.839 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.719 -4.848 -2.910 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.226 -3.660 -4.181 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.292 -5.021 -4.769 1.00 0.00 H new ATOM 0 HG LEU A 82 -11.896 -4.977 -2.209 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -13.444 -6.518 -3.454 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -13.332 -4.922 -4.234 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -12.446 -6.307 -4.913 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.598 -7.431 -2.182 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.521 -7.304 -3.593 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.051 -6.562 -2.046 1.00 0.00 H new ATOM 1315 N PRO A 83 -7.713 -3.242 -4.723 1.00 0.00 N ATOM 1316 CA PRO A 83 -7.050 -2.255 -5.569 1.00 0.00 C ATOM 1317 C PRO A 83 -8.037 -1.647 -6.563 1.00 0.00 C ATOM 1318 O PRO A 83 -8.905 -2.336 -7.103 1.00 0.00 O ATOM 1319 CB PRO A 83 -5.904 -2.987 -6.272 1.00 0.00 C ATOM 1320 CG PRO A 83 -6.377 -4.440 -6.283 1.00 0.00 C ATOM 1321 CD PRO A 83 -7.183 -4.570 -4.990 1.00 0.00 C ATOM 0 HA PRO A 83 -6.662 -1.421 -4.984 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -5.742 -2.608 -7.281 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -4.963 -2.873 -5.734 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -6.989 -4.655 -7.159 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -5.537 -5.134 -6.302 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -7.987 -5.298 -5.101 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -6.554 -4.913 -4.169 1.00 0.00 H new ATOM 1329 N ILE A 84 -7.870 -0.359 -6.855 1.00 0.00 N ATOM 1330 CA ILE A 84 -8.679 0.362 -7.848 1.00 0.00 C ATOM 1331 C ILE A 84 -8.664 -0.283 -9.252 1.00 0.00 C ATOM 1332 O ILE A 84 -9.651 -0.210 -9.987 1.00 0.00 O ATOM 1333 CB ILE A 84 -8.250 1.836 -7.848 1.00 0.00 C ATOM 1334 CG1 ILE A 84 -9.229 2.696 -8.663 1.00 0.00 C ATOM 1335 CG2 ILE A 84 -6.799 2.011 -8.322 1.00 0.00 C ATOM 1336 CD1 ILE A 84 -9.566 4.004 -7.947 1.00 0.00 C ATOM 0 H ILE A 84 -7.163 0.224 -6.407 1.00 0.00 H new ATOM 0 HA ILE A 84 -9.727 0.297 -7.557 1.00 0.00 H new ATOM 0 HB ILE A 84 -8.284 2.188 -6.817 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -8.794 2.917 -9.638 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -10.145 2.133 -8.842 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.536 3.069 -8.307 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -6.131 1.462 -7.659 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.699 1.627 -9.337 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -10.260 4.583 -8.555 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -10.025 3.783 -6.983 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -8.653 4.579 -7.791 1.00 0.00 H new ATOM 1348 N ASP A 85 -7.585 -1.000 -9.583 1.00 0.00 N ATOM 1349 CA ASP A 85 -7.472 -1.863 -10.769 1.00 0.00 C ATOM 1350 C ASP A 85 -8.577 -2.931 -10.843 1.00 0.00 C ATOM 1351 O ASP A 85 -9.122 -3.195 -11.916 1.00 0.00 O ATOM 1352 CB ASP A 85 -6.109 -2.562 -10.725 1.00 0.00 C ATOM 1353 CG ASP A 85 -5.935 -3.589 -11.858 1.00 0.00 C ATOM 1354 OD1 ASP A 85 -5.975 -3.203 -13.051 1.00 0.00 O ATOM 1355 OD2 ASP A 85 -5.731 -4.790 -11.557 1.00 0.00 O ATOM 0 H ASP A 85 -6.737 -0.997 -9.016 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.578 -1.231 -11.651 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.319 -1.814 -10.793 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.992 -3.063 -9.764 1.00 0.00 H new ATOM 1360 N GLU A 86 -8.926 -3.537 -9.703 1.00 0.00 N ATOM 1361 CA GLU A 86 -9.993 -4.541 -9.647 1.00 0.00 C ATOM 1362 C GLU A 86 -11.371 -3.872 -9.630 1.00 0.00 C ATOM 1363 O GLU A 86 -12.291 -4.369 -10.271 1.00 0.00 O ATOM 1364 CB GLU A 86 -9.797 -5.486 -8.450 1.00 0.00 C ATOM 1365 CG GLU A 86 -10.806 -6.648 -8.472 1.00 0.00 C ATOM 1366 CD GLU A 86 -10.341 -7.825 -7.595 1.00 0.00 C ATOM 1367 OE1 GLU A 86 -9.418 -8.568 -8.010 1.00 0.00 O ATOM 1368 OE2 GLU A 86 -10.917 -8.044 -6.503 1.00 0.00 O ATOM 0 H GLU A 86 -8.483 -3.348 -8.804 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.940 -5.150 -10.550 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.783 -5.884 -8.463 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -9.907 -4.925 -7.522 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.776 -6.294 -8.121 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -10.943 -6.991 -9.498 1.00 0.00 H new ATOM 1375 N ILE A 87 -11.524 -2.716 -8.976 1.00 0.00 N ATOM 1376 CA ILE A 87 -12.800 -1.993 -8.925 1.00 0.00 C ATOM 1377 C ILE A 87 -13.249 -1.548 -10.327 1.00 0.00 C ATOM 1378 O ILE A 87 -14.423 -1.692 -10.674 1.00 0.00 O ATOM 1379 CB ILE A 87 -12.694 -0.808 -7.946 1.00 0.00 C ATOM 1380 CG1 ILE A 87 -12.304 -1.332 -6.543 1.00 0.00 C ATOM 1381 CG2 ILE A 87 -14.029 -0.053 -7.900 1.00 0.00 C ATOM 1382 CD1 ILE A 87 -12.068 -0.232 -5.511 1.00 0.00 C ATOM 0 H ILE A 87 -10.769 -2.256 -8.468 1.00 0.00 H new ATOM 0 HA ILE A 87 -13.571 -2.668 -8.554 1.00 0.00 H new ATOM 0 HB ILE A 87 -11.922 -0.116 -8.284 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -13.092 -1.992 -6.181 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -11.399 -1.934 -6.630 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -13.950 0.784 -7.207 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -14.270 0.321 -8.895 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -14.817 -0.728 -7.566 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -11.799 -0.682 -4.555 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -11.258 0.415 -5.848 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -12.978 0.357 -5.392 1.00 0.00 H new ATOM 1394 N PHE A 88 -12.314 -1.078 -11.159 1.00 0.00 N ATOM 1395 CA PHE A 88 -12.562 -0.767 -12.572 1.00 0.00 C ATOM 1396 C PHE A 88 -13.062 -1.983 -13.383 1.00 0.00 C ATOM 1397 O PHE A 88 -13.954 -1.851 -14.223 1.00 0.00 O ATOM 1398 CB PHE A 88 -11.266 -0.222 -13.189 1.00 0.00 C ATOM 1399 CG PHE A 88 -11.394 0.132 -14.660 1.00 0.00 C ATOM 1400 CD1 PHE A 88 -12.059 1.310 -15.045 1.00 0.00 C ATOM 1401 CD2 PHE A 88 -10.890 -0.737 -15.646 1.00 0.00 C ATOM 1402 CE1 PHE A 88 -12.198 1.635 -16.406 1.00 0.00 C ATOM 1403 CE2 PHE A 88 -11.026 -0.412 -17.009 1.00 0.00 C ATOM 1404 CZ PHE A 88 -11.675 0.777 -17.389 1.00 0.00 C ATOM 0 H PHE A 88 -11.353 -0.901 -10.868 1.00 0.00 H new ATOM 0 HA PHE A 88 -13.358 -0.023 -12.613 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -10.955 0.665 -12.636 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -10.477 -0.964 -13.070 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -12.465 1.968 -14.291 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.398 -1.654 -15.357 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -12.706 2.543 -16.696 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -10.632 -1.076 -17.764 1.00 0.00 H new ATOM 0 HZ PHE A 88 -11.771 1.030 -18.434 1.00 0.00 H new ATOM 1414 N GLU A 89 -12.510 -3.171 -13.118 1.00 0.00 N ATOM 1415 CA GLU A 89 -12.805 -4.412 -13.851 1.00 0.00 C ATOM 1416 C GLU A 89 -14.096 -5.098 -13.379 1.00 0.00 C ATOM 1417 O GLU A 89 -14.860 -5.614 -14.203 1.00 0.00 O ATOM 1418 CB GLU A 89 -11.625 -5.386 -13.684 1.00 0.00 C ATOM 1419 CG GLU A 89 -10.482 -5.103 -14.667 1.00 0.00 C ATOM 1420 CD GLU A 89 -10.797 -5.650 -16.074 1.00 0.00 C ATOM 1421 OE1 GLU A 89 -10.596 -6.866 -16.314 1.00 0.00 O ATOM 1422 OE2 GLU A 89 -11.245 -4.873 -16.952 1.00 0.00 O ATOM 0 H GLU A 89 -11.829 -3.303 -12.370 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.950 -4.142 -14.897 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -11.246 -5.321 -12.664 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.978 -6.407 -13.828 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.308 -4.029 -14.724 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.562 -5.556 -14.297 1.00 0.00 H new ATOM 1429 N ARG A 90 -14.360 -5.087 -12.067 1.00 0.00 N ATOM 1430 CA ARG A 90 -15.620 -5.561 -11.469 1.00 0.00 C ATOM 1431 C ARG A 90 -16.780 -4.579 -11.666 1.00 0.00 C ATOM 1432 O ARG A 90 -17.933 -4.979 -11.506 1.00 0.00 O ATOM 1433 CB ARG A 90 -15.424 -5.851 -9.969 1.00 0.00 C ATOM 1434 CG ARG A 90 -14.371 -6.915 -9.616 1.00 0.00 C ATOM 1435 CD ARG A 90 -14.530 -8.212 -10.412 1.00 0.00 C ATOM 1436 NE ARG A 90 -13.793 -9.331 -9.793 1.00 0.00 N ATOM 1437 CZ ARG A 90 -13.983 -10.619 -10.026 1.00 0.00 C ATOM 1438 NH1 ARG A 90 -14.838 -11.049 -10.913 1.00 0.00 N ATOM 1439 NH2 ARG A 90 -13.309 -11.514 -9.362 1.00 0.00 N ATOM 0 H ARG A 90 -13.693 -4.743 -11.376 1.00 0.00 H new ATOM 0 HA ARG A 90 -15.888 -6.480 -11.990 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -15.150 -4.920 -9.473 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -16.381 -6.165 -9.553 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -13.377 -6.506 -9.796 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -14.435 -7.140 -8.551 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -15.587 -8.468 -10.482 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -14.171 -8.060 -11.430 1.00 0.00 H new ATOM 0 HE ARG A 90 -13.066 -9.087 -9.120 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -15.388 -10.383 -11.456 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -14.956 -12.051 -11.064 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -12.631 -11.223 -8.658 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -13.460 -12.506 -9.546 1.00 0.00 H new ATOM 1453 N GLU A 91 -16.492 -3.318 -12.017 1.00 0.00 N ATOM 1454 CA GLU A 91 -17.477 -2.235 -12.163 1.00 0.00 C ATOM 1455 C GLU A 91 -18.300 -2.007 -10.873 1.00 0.00 C ATOM 1456 O GLU A 91 -19.496 -1.702 -10.920 1.00 0.00 O ATOM 1457 CB GLU A 91 -18.352 -2.444 -13.419 1.00 0.00 C ATOM 1458 CG GLU A 91 -17.547 -2.605 -14.721 1.00 0.00 C ATOM 1459 CD GLU A 91 -18.432 -2.688 -15.988 1.00 0.00 C ATOM 1460 OE1 GLU A 91 -19.674 -2.514 -15.918 1.00 0.00 O ATOM 1461 OE2 GLU A 91 -17.878 -2.927 -17.089 1.00 0.00 O ATOM 0 H GLU A 91 -15.539 -3.013 -12.213 1.00 0.00 H new ATOM 0 HA GLU A 91 -16.927 -1.307 -12.317 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -18.972 -3.329 -13.275 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -19.028 -1.595 -13.524 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -16.861 -1.764 -14.821 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -16.938 -3.506 -14.653 1.00 0.00 H new ATOM 1468 N LEU A 92 -17.665 -2.197 -9.708 1.00 0.00 N ATOM 1469 CA LEU A 92 -18.300 -2.034 -8.393 1.00 0.00 C ATOM 1470 C LEU A 92 -18.229 -0.580 -7.899 1.00 0.00 C ATOM 1471 O LEU A 92 -17.251 0.133 -8.131 1.00 0.00 O ATOM 1472 CB LEU A 92 -17.651 -2.995 -7.376 1.00 0.00 C ATOM 1473 CG LEU A 92 -18.025 -4.473 -7.598 1.00 0.00 C ATOM 1474 CD1 LEU A 92 -17.155 -5.371 -6.718 1.00 0.00 C ATOM 1475 CD2 LEU A 92 -19.493 -4.767 -7.268 1.00 0.00 C ATOM 0 H LEU A 92 -16.684 -2.471 -9.652 1.00 0.00 H new ATOM 0 HA LEU A 92 -19.356 -2.283 -8.494 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -16.567 -2.891 -7.431 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -17.949 -2.701 -6.370 1.00 0.00 H new ATOM 0 HG LEU A 92 -17.860 -4.677 -8.656 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -17.427 -6.414 -6.882 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -16.106 -5.225 -6.974 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -17.312 -5.115 -5.670 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -19.701 -5.823 -7.443 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -19.686 -4.527 -6.222 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -20.137 -4.160 -7.904 1.00 0.00 H new ATOM 1487 N ASP A 93 -19.279 -0.140 -7.205 1.00 0.00 N ATOM 1488 CA ASP A 93 -19.387 1.221 -6.667 1.00 0.00 C ATOM 1489 C ASP A 93 -18.621 1.395 -5.334 1.00 0.00 C ATOM 1490 O ASP A 93 -18.253 0.415 -4.672 1.00 0.00 O ATOM 1491 CB ASP A 93 -20.868 1.577 -6.474 1.00 0.00 C ATOM 1492 CG ASP A 93 -21.745 1.284 -7.704 1.00 0.00 C ATOM 1493 OD1 ASP A 93 -21.593 1.966 -8.745 1.00 0.00 O ATOM 1494 OD2 ASP A 93 -22.606 0.373 -7.622 1.00 0.00 O ATOM 0 H ASP A 93 -20.089 -0.724 -6.997 1.00 0.00 H new ATOM 0 HA ASP A 93 -18.927 1.898 -7.387 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -21.257 1.020 -5.622 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -20.948 2.636 -6.227 1.00 0.00 H new ATOM 1499 N LEU A 94 -18.441 2.648 -4.889 1.00 0.00 N ATOM 1500 CA LEU A 94 -17.774 2.990 -3.624 1.00 0.00 C ATOM 1501 C LEU A 94 -18.647 3.815 -2.662 1.00 0.00 C ATOM 1502 O LEU A 94 -19.610 4.481 -3.050 1.00 0.00 O ATOM 1503 CB LEU A 94 -16.446 3.717 -3.898 1.00 0.00 C ATOM 1504 CG LEU A 94 -15.405 2.864 -4.647 1.00 0.00 C ATOM 1505 CD1 LEU A 94 -15.426 3.071 -6.163 1.00 0.00 C ATOM 1506 CD2 LEU A 94 -14.005 3.213 -4.150 1.00 0.00 C ATOM 0 H LEU A 94 -18.761 3.466 -5.408 1.00 0.00 H new ATOM 0 HA LEU A 94 -17.581 2.043 -3.120 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -16.650 4.616 -4.480 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -16.019 4.041 -2.949 1.00 0.00 H new ATOM 0 HG LEU A 94 -15.663 1.825 -4.445 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -14.668 2.440 -6.627 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -16.408 2.805 -6.553 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -15.217 4.116 -6.390 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -13.269 2.609 -4.681 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -13.807 4.269 -4.333 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -13.937 3.011 -3.081 1.00 0.00 H new ATOM 1518 N MET A 95 -18.279 3.746 -1.381 1.00 0.00 N ATOM 1519 CA MET A 95 -18.890 4.484 -0.263 1.00 0.00 C ATOM 1520 C MET A 95 -18.525 5.988 -0.273 1.00 0.00 C ATOM 1521 O MET A 95 -17.462 6.365 -0.773 1.00 0.00 O ATOM 1522 CB MET A 95 -18.400 3.795 1.025 1.00 0.00 C ATOM 1523 CG MET A 95 -19.140 4.219 2.301 1.00 0.00 C ATOM 1524 SD MET A 95 -18.478 3.519 3.845 1.00 0.00 S ATOM 1525 CE MET A 95 -18.570 1.738 3.505 1.00 0.00 C ATOM 0 H MET A 95 -17.512 3.147 -1.076 1.00 0.00 H new ATOM 0 HA MET A 95 -19.977 4.458 -0.342 1.00 0.00 H new ATOM 0 HB2 MET A 95 -18.501 2.716 0.905 1.00 0.00 H new ATOM 0 HB3 MET A 95 -17.338 4.004 1.151 1.00 0.00 H new ATOM 0 HG2 MET A 95 -19.115 5.306 2.373 1.00 0.00 H new ATOM 0 HG3 MET A 95 -20.187 3.930 2.209 1.00 0.00 H new ATOM 0 HE1 MET A 95 -18.385 1.182 4.424 1.00 0.00 H new ATOM 0 HE2 MET A 95 -19.561 1.491 3.125 1.00 0.00 H new ATOM 0 HE3 MET A 95 -17.819 1.470 2.761 1.00 0.00 H new ATOM 1535 N ARG A 96 -19.379 6.846 0.320 1.00 0.00 N ATOM 1536 CA ARG A 96 -19.133 8.291 0.544 1.00 0.00 C ATOM 1537 C ARG A 96 -19.571 8.813 1.932 1.00 0.00 C ATOM 1538 O ARG A 96 -20.430 8.223 2.586 1.00 0.00 O ATOM 1539 CB ARG A 96 -19.799 9.119 -0.580 1.00 0.00 C ATOM 1540 CG ARG A 96 -18.973 9.150 -1.874 1.00 0.00 C ATOM 1541 CD ARG A 96 -19.402 8.160 -2.971 1.00 0.00 C ATOM 1542 NE ARG A 96 -20.319 8.754 -3.971 1.00 0.00 N ATOM 1543 CZ ARG A 96 -20.079 9.712 -4.854 1.00 0.00 C ATOM 1544 NH1 ARG A 96 -18.954 10.365 -4.925 1.00 0.00 N ATOM 1545 NH2 ARG A 96 -21.000 10.039 -5.708 1.00 0.00 N ATOM 0 H ARG A 96 -20.289 6.546 0.669 1.00 0.00 H new ATOM 0 HA ARG A 96 -18.050 8.416 0.519 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -20.784 8.704 -0.794 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -19.953 10.140 -0.229 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -19.016 10.159 -2.285 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -17.931 8.953 -1.622 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -18.514 7.786 -3.480 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -19.889 7.302 -2.506 1.00 0.00 H new ATOM 0 HE ARG A 96 -21.265 8.373 -3.981 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -18.197 10.148 -4.277 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -18.830 11.093 -5.629 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -21.900 9.560 -5.696 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -20.824 10.775 -6.391 1.00 0.00 H new ATOM 1559 N VAL A 97 -18.999 9.959 2.338 1.00 0.00 N ATOM 1560 CA VAL A 97 -19.283 10.699 3.604 1.00 0.00 C ATOM 1561 C VAL A 97 -20.346 11.792 3.435 1.00 0.00 C ATOM 1562 O VAL A 97 -21.102 12.079 4.362 1.00 0.00 O ATOM 1563 CB VAL A 97 -17.983 11.299 4.206 1.00 0.00 C ATOM 1564 CG1 VAL A 97 -17.352 12.399 3.345 1.00 0.00 C ATOM 1565 CG2 VAL A 97 -18.159 11.922 5.598 1.00 0.00 C ATOM 0 H VAL A 97 -18.290 10.427 1.773 1.00 0.00 H new ATOM 0 HA VAL A 97 -19.690 9.964 4.298 1.00 0.00 H new ATOM 0 HB VAL A 97 -17.340 10.421 4.257 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -16.449 12.768 3.831 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -17.097 11.993 2.366 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -18.061 13.219 3.225 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -17.203 12.317 5.943 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -18.888 12.731 5.545 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -18.511 11.162 6.295 1.00 0.00 H new ATOM 1575 N ASP A 98 -20.465 12.355 2.228 1.00 0.00 N ATOM 1576 CA ASP A 98 -21.451 13.387 1.859 1.00 0.00 C ATOM 1577 C ASP A 98 -22.829 12.790 1.480 1.00 0.00 C ATOM 1578 O ASP A 98 -23.612 13.427 0.775 1.00 0.00 O ATOM 1579 CB ASP A 98 -20.854 14.249 0.729 1.00 0.00 C ATOM 1580 CG ASP A 98 -19.744 15.173 1.249 1.00 0.00 C ATOM 1581 OD1 ASP A 98 -20.065 16.166 1.949 1.00 0.00 O ATOM 1582 OD2 ASP A 98 -18.553 14.927 0.947 1.00 0.00 O ATOM 0 H ASP A 98 -19.857 12.098 1.450 1.00 0.00 H new ATOM 0 HA ASP A 98 -21.650 14.015 2.727 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -20.453 13.601 -0.051 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -21.642 14.848 0.272 1.00 0.00 H new ATOM 1587 N ASN A 99 -23.113 11.550 1.921 1.00 0.00 N ATOM 1588 CA ASN A 99 -24.277 10.698 1.598 1.00 0.00 C ATOM 1589 C ASN A 99 -24.648 10.609 0.095 1.00 0.00 C ATOM 1590 O ASN A 99 -25.766 10.226 -0.264 1.00 0.00 O ATOM 1591 CB ASN A 99 -25.460 10.981 2.546 1.00 0.00 C ATOM 1592 CG ASN A 99 -26.059 12.348 2.311 1.00 0.00 C ATOM 1593 OD1 ASN A 99 -26.931 12.559 1.478 1.00 0.00 O ATOM 1594 ND2 ASN A 99 -25.560 13.337 3.007 1.00 0.00 N ATOM 0 H ASN A 99 -22.481 11.077 2.567 1.00 0.00 H new ATOM 0 HA ASN A 99 -23.958 9.675 1.796 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -26.227 10.220 2.405 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -25.122 10.906 3.580 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -25.897 14.288 2.857 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -24.834 13.157 3.700 1.00 0.00 H new ATOM 1601 N LEU A 100 -23.696 10.943 -0.783 1.00 0.00 N ATOM 1602 CA LEU A 100 -23.847 10.919 -2.244 1.00 0.00 C ATOM 1603 C LEU A 100 -24.173 9.510 -2.792 1.00 0.00 C ATOM 1604 O LEU A 100 -23.823 8.505 -2.161 1.00 0.00 O ATOM 1605 CB LEU A 100 -22.548 11.453 -2.876 1.00 0.00 C ATOM 1606 CG LEU A 100 -22.320 12.971 -2.752 1.00 0.00 C ATOM 1607 CD1 LEU A 100 -20.940 13.311 -3.312 1.00 0.00 C ATOM 1608 CD2 LEU A 100 -23.354 13.785 -3.533 1.00 0.00 C ATOM 0 H LEU A 100 -22.768 11.248 -0.488 1.00 0.00 H new ATOM 0 HA LEU A 100 -24.695 11.551 -2.509 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -21.704 10.939 -2.416 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -22.545 11.189 -3.934 1.00 0.00 H new ATOM 0 HG LEU A 100 -22.408 13.226 -1.696 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -20.768 14.384 -3.229 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -20.176 12.776 -2.747 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -20.890 13.015 -4.360 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -23.147 14.848 -3.412 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -23.300 13.523 -4.590 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -24.352 13.564 -3.155 1.00 0.00 H new ATOM 1620 N PRO A 101 -24.787 9.413 -3.991 1.00 0.00 N ATOM 1621 CA PRO A 101 -25.111 8.133 -4.621 1.00 0.00 C ATOM 1622 C PRO A 101 -23.834 7.363 -4.972 1.00 0.00 C ATOM 1623 O PRO A 101 -22.815 7.960 -5.332 1.00 0.00 O ATOM 1624 CB PRO A 101 -25.947 8.477 -5.860 1.00 0.00 C ATOM 1625 CG PRO A 101 -25.506 9.894 -6.214 1.00 0.00 C ATOM 1626 CD PRO A 101 -25.189 10.517 -4.855 1.00 0.00 C ATOM 0 HA PRO A 101 -25.671 7.477 -3.955 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -25.755 7.782 -6.678 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -27.015 8.432 -5.647 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -24.634 9.892 -6.868 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -26.293 10.442 -6.733 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -24.392 11.256 -4.941 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -26.059 11.033 -4.450 1.00 0.00 H new ATOM 1634 N ASN A 102 -23.863 6.040 -4.845 1.00 0.00 N ATOM 1635 CA ASN A 102 -22.693 5.188 -5.067 1.00 0.00 C ATOM 1636 C ASN A 102 -22.446 5.002 -6.578 1.00 0.00 C ATOM 1637 O ASN A 102 -23.353 4.585 -7.306 1.00 0.00 O ATOM 1638 CB ASN A 102 -22.919 3.852 -4.332 1.00 0.00 C ATOM 1639 CG ASN A 102 -23.267 4.053 -2.866 1.00 0.00 C ATOM 1640 OD1 ASN A 102 -24.396 3.846 -2.436 1.00 0.00 O ATOM 1641 ND2 ASN A 102 -22.325 4.484 -2.061 1.00 0.00 N ATOM 0 H ASN A 102 -24.703 5.523 -4.584 1.00 0.00 H new ATOM 0 HA ASN A 102 -21.793 5.653 -4.664 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -23.722 3.302 -4.822 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -22.020 3.240 -4.409 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -22.532 4.647 -1.076 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -21.386 4.656 -2.421 1.00 0.00 H new ATOM 1648 N ILE A 103 -21.226 5.313 -7.041 1.00 0.00 N ATOM 1649 CA ILE A 103 -20.847 5.306 -8.469 1.00 0.00 C ATOM 1650 C ILE A 103 -19.438 4.747 -8.704 1.00 0.00 C ATOM 1651 O ILE A 103 -18.471 5.128 -8.041 1.00 0.00 O ATOM 1652 CB ILE A 103 -21.022 6.696 -9.130 1.00 0.00 C ATOM 1653 CG1 ILE A 103 -20.407 7.838 -8.292 1.00 0.00 C ATOM 1654 CG2 ILE A 103 -22.511 6.956 -9.420 1.00 0.00 C ATOM 1655 CD1 ILE A 103 -20.519 9.212 -8.958 1.00 0.00 C ATOM 0 H ILE A 103 -20.459 5.582 -6.425 1.00 0.00 H new ATOM 0 HA ILE A 103 -21.543 4.625 -8.959 1.00 0.00 H new ATOM 0 HB ILE A 103 -20.472 6.683 -10.071 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -20.901 7.872 -7.321 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -19.356 7.617 -8.107 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -22.626 7.935 -9.885 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -22.890 6.188 -10.094 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -23.074 6.929 -8.487 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -20.067 9.966 -8.314 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -20.000 9.195 -9.917 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -21.570 9.454 -9.118 1.00 0.00 H new ATOM 1667 N LYS A 104 -19.347 3.822 -9.666 1.00 0.00 N ATOM 1668 CA LYS A 104 -18.113 3.192 -10.158 1.00 0.00 C ATOM 1669 C LYS A 104 -17.357 4.074 -11.162 1.00 0.00 C ATOM 1670 O LYS A 104 -17.842 5.122 -11.597 1.00 0.00 O ATOM 1671 CB LYS A 104 -18.459 1.787 -10.702 1.00 0.00 C ATOM 1672 CG LYS A 104 -19.345 1.699 -11.962 1.00 0.00 C ATOM 1673 CD LYS A 104 -18.569 1.830 -13.282 1.00 0.00 C ATOM 1674 CE LYS A 104 -19.303 1.178 -14.465 1.00 0.00 C ATOM 1675 NZ LYS A 104 -20.365 2.039 -15.045 1.00 0.00 N ATOM 0 H LYS A 104 -20.175 3.473 -10.149 1.00 0.00 H new ATOM 0 HA LYS A 104 -17.411 3.076 -9.332 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -17.523 1.271 -10.915 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -18.955 1.233 -9.905 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -19.873 0.746 -11.956 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -20.101 2.483 -11.918 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -18.403 2.885 -13.499 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -17.587 1.370 -13.170 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -18.579 0.933 -15.242 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -19.747 0.239 -14.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -20.962 1.473 -15.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -20.949 2.432 -14.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -19.928 2.816 -15.581 1.00 0.00 H new ATOM 1689 N ILE A 105 -16.156 3.636 -11.540 1.00 0.00 N ATOM 1690 CA ILE A 105 -15.293 4.316 -12.518 1.00 0.00 C ATOM 1691 C ILE A 105 -15.895 4.206 -13.930 1.00 0.00 C ATOM 1692 O ILE A 105 -15.977 3.117 -14.501 1.00 0.00 O ATOM 1693 CB ILE A 105 -13.861 3.742 -12.467 1.00 0.00 C ATOM 1694 CG1 ILE A 105 -13.251 3.831 -11.050 1.00 0.00 C ATOM 1695 CG2 ILE A 105 -12.972 4.516 -13.462 1.00 0.00 C ATOM 1696 CD1 ILE A 105 -11.977 2.994 -10.887 1.00 0.00 C ATOM 0 H ILE A 105 -15.743 2.780 -11.169 1.00 0.00 H new ATOM 0 HA ILE A 105 -15.234 5.374 -12.261 1.00 0.00 H new ATOM 0 HB ILE A 105 -13.910 2.687 -12.738 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -13.025 4.873 -10.824 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -13.991 3.500 -10.321 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -11.958 4.116 -13.432 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -13.374 4.409 -14.469 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -12.954 5.571 -13.189 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -11.599 3.100 -9.870 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -12.203 1.946 -11.083 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -11.222 3.340 -11.592 1.00 0.00 H new ATOM 1708 N ALA A 106 -16.316 5.338 -14.494 1.00 0.00 N ATOM 1709 CA ALA A 106 -16.873 5.459 -15.842 1.00 0.00 C ATOM 1710 C ALA A 106 -15.840 5.090 -16.925 1.00 0.00 C ATOM 1711 O ALA A 106 -16.126 4.288 -17.815 1.00 0.00 O ATOM 1712 CB ALA A 106 -17.361 6.906 -16.030 1.00 0.00 C ATOM 0 H ALA A 106 -16.277 6.232 -14.005 1.00 0.00 H new ATOM 0 HA ALA A 106 -17.702 4.760 -15.951 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -17.781 7.021 -17.029 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -18.126 7.132 -15.287 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -16.522 7.592 -15.908 1.00 0.00 H new ATOM 1718 N THR A 107 -14.633 5.660 -16.820 1.00 0.00 N ATOM 1719 CA THR A 107 -13.474 5.421 -17.701 1.00 0.00 C ATOM 1720 C THR A 107 -12.153 5.655 -16.955 1.00 0.00 C ATOM 1721 O THR A 107 -12.101 6.389 -15.964 1.00 0.00 O ATOM 1722 CB THR A 107 -13.481 6.327 -18.955 1.00 0.00 C ATOM 1723 OG1 THR A 107 -13.811 7.665 -18.645 1.00 0.00 O ATOM 1724 CG2 THR A 107 -14.450 5.861 -20.042 1.00 0.00 C ATOM 0 H THR A 107 -14.424 6.334 -16.084 1.00 0.00 H new ATOM 0 HA THR A 107 -13.555 4.381 -18.016 1.00 0.00 H new ATOM 0 HB THR A 107 -12.461 6.260 -19.332 1.00 0.00 H new ATOM 0 HG1 THR A 107 -13.802 8.202 -19.464 1.00 0.00 H new ATOM 0 HG21 THR A 107 -14.401 6.544 -20.890 1.00 0.00 H new ATOM 0 HG22 THR A 107 -14.176 4.857 -20.368 1.00 0.00 H new ATOM 0 HG23 THR A 107 -15.465 5.849 -19.644 1.00 0.00 H new ATOM 1732 N ARG A 108 -11.070 5.056 -17.466 1.00 0.00 N ATOM 1733 CA ARG A 108 -9.690 5.192 -16.965 1.00 0.00 C ATOM 1734 C ARG A 108 -8.766 5.623 -18.109 1.00 0.00 C ATOM 1735 O ARG A 108 -8.981 5.232 -19.262 1.00 0.00 O ATOM 1736 CB ARG A 108 -9.252 3.843 -16.359 1.00 0.00 C ATOM 1737 CG ARG A 108 -7.826 3.845 -15.767 1.00 0.00 C ATOM 1738 CD ARG A 108 -7.355 2.438 -15.378 1.00 0.00 C ATOM 1739 NE ARG A 108 -7.292 1.553 -16.559 1.00 0.00 N ATOM 1740 CZ ARG A 108 -6.332 1.431 -17.460 1.00 0.00 C ATOM 1741 NH1 ARG A 108 -5.187 2.039 -17.346 1.00 0.00 N ATOM 1742 NH2 ARG A 108 -6.510 0.693 -18.517 1.00 0.00 N ATOM 0 H ARG A 108 -11.130 4.436 -18.274 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.635 5.957 -16.191 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -9.957 3.564 -15.576 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -9.311 3.075 -17.130 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.134 4.269 -16.494 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -7.801 4.490 -14.889 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -6.372 2.496 -14.911 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -8.035 2.015 -14.639 1.00 0.00 H new ATOM 0 HE ARG A 108 -8.103 0.951 -16.699 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -5.005 2.636 -16.539 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -4.472 1.919 -18.063 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -7.395 0.204 -18.655 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -5.765 0.604 -19.208 1.00 0.00 H new ATOM 1756 N LYS A 109 -7.715 6.382 -17.786 1.00 0.00 N ATOM 1757 CA LYS A 109 -6.646 6.776 -18.722 1.00 0.00 C ATOM 1758 C LYS A 109 -5.319 6.960 -17.981 1.00 0.00 C ATOM 1759 O LYS A 109 -5.284 7.566 -16.909 1.00 0.00 O ATOM 1760 CB LYS A 109 -7.093 8.052 -19.466 1.00 0.00 C ATOM 1761 CG LYS A 109 -6.141 8.423 -20.617 1.00 0.00 C ATOM 1762 CD LYS A 109 -6.747 9.425 -21.613 1.00 0.00 C ATOM 1763 CE LYS A 109 -7.874 8.790 -22.445 1.00 0.00 C ATOM 1764 NZ LYS A 109 -8.323 9.686 -23.546 1.00 0.00 N ATOM 0 H LYS A 109 -7.576 6.751 -16.845 1.00 0.00 H new ATOM 0 HA LYS A 109 -6.475 5.990 -19.458 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -8.098 7.905 -19.862 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -7.146 8.881 -18.760 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -5.226 8.845 -20.200 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -5.859 7.516 -21.152 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -7.136 10.287 -21.071 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -5.967 9.793 -22.279 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -7.528 7.845 -22.864 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -8.719 8.560 -21.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -9.083 9.222 -24.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -8.677 10.578 -23.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -7.523 9.885 -24.180 1.00 0.00 H new ATOM 1778 N TYR A 110 -4.236 6.409 -18.528 1.00 0.00 N ATOM 1779 CA TYR A 110 -2.885 6.575 -17.980 1.00 0.00 C ATOM 1780 C TYR A 110 -2.378 8.005 -18.194 1.00 0.00 C ATOM 1781 O TYR A 110 -2.426 8.525 -19.314 1.00 0.00 O ATOM 1782 CB TYR A 110 -1.932 5.559 -18.630 1.00 0.00 C ATOM 1783 CG TYR A 110 -0.505 5.601 -18.105 1.00 0.00 C ATOM 1784 CD1 TYR A 110 -0.256 5.600 -16.717 1.00 0.00 C ATOM 1785 CD2 TYR A 110 0.582 5.645 -19.002 1.00 0.00 C ATOM 1786 CE1 TYR A 110 1.059 5.640 -16.228 1.00 0.00 C ATOM 1787 CE2 TYR A 110 1.904 5.674 -18.515 1.00 0.00 C ATOM 1788 CZ TYR A 110 2.147 5.669 -17.126 1.00 0.00 C ATOM 1789 OH TYR A 110 3.422 5.719 -16.658 1.00 0.00 O ATOM 0 H TYR A 110 -4.269 5.831 -19.368 1.00 0.00 H new ATOM 0 HA TYR A 110 -2.920 6.392 -16.906 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -2.332 4.557 -18.477 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -1.914 5.734 -19.706 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -1.084 5.568 -16.024 1.00 0.00 H new ATOM 0 HD2 TYR A 110 0.401 5.657 -20.067 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.238 5.649 -15.163 1.00 0.00 H new ATOM 0 HE2 TYR A 110 2.733 5.700 -19.207 1.00 0.00 H new ATOM 0 HH TYR A 110 4.047 5.732 -17.413 1.00 0.00 H new ATOM 1799 N LEU A 111 -1.889 8.639 -17.124 1.00 0.00 N ATOM 1800 CA LEU A 111 -1.379 10.012 -17.172 1.00 0.00 C ATOM 1801 C LEU A 111 0.143 10.049 -17.328 1.00 0.00 C ATOM 1802 O LEU A 111 0.672 10.880 -18.071 1.00 0.00 O ATOM 1803 CB LEU A 111 -1.756 10.715 -15.861 1.00 0.00 C ATOM 1804 CG LEU A 111 -3.269 10.816 -15.618 1.00 0.00 C ATOM 1805 CD1 LEU A 111 -3.508 11.230 -14.171 1.00 0.00 C ATOM 1806 CD2 LEU A 111 -3.891 11.844 -16.564 1.00 0.00 C ATOM 0 H LEU A 111 -1.836 8.213 -16.199 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.819 10.512 -18.035 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -1.300 10.178 -15.029 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.331 11.719 -15.864 1.00 0.00 H new ATOM 0 HG LEU A 111 -3.734 9.848 -15.808 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.580 11.305 -13.986 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -3.076 10.485 -13.503 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -3.040 12.197 -13.987 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.964 11.905 -16.381 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.437 12.820 -16.390 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -3.716 11.541 -17.596 1.00 0.00 H new ATOM 1818 N GLY A 112 0.838 9.165 -16.608 1.00 0.00 N ATOM 1819 CA GLY A 112 2.294 9.132 -16.535 1.00 0.00 C ATOM 1820 C GLY A 112 2.804 8.730 -15.149 1.00 0.00 C ATOM 1821 O GLY A 112 2.249 7.855 -14.484 1.00 0.00 O ATOM 0 H GLY A 112 0.391 8.438 -16.049 1.00 0.00 H new ATOM 0 HA2 GLY A 112 2.676 8.430 -17.276 1.00 0.00 H new ATOM 0 HA3 GLY A 112 2.690 10.114 -16.793 1.00 0.00 H new ATOM 1825 N LYS A 113 3.871 9.390 -14.702 1.00 0.00 N ATOM 1826 CA LYS A 113 4.664 9.009 -13.522 1.00 0.00 C ATOM 1827 C LYS A 113 4.929 10.180 -12.575 1.00 0.00 C ATOM 1828 O LYS A 113 5.961 10.853 -12.613 1.00 0.00 O ATOM 1829 CB LYS A 113 5.950 8.329 -13.990 1.00 0.00 C ATOM 1830 CG LYS A 113 6.522 7.450 -12.869 1.00 0.00 C ATOM 1831 CD LYS A 113 7.909 6.893 -13.209 1.00 0.00 C ATOM 1832 CE LYS A 113 7.821 5.806 -14.289 1.00 0.00 C ATOM 1833 NZ LYS A 113 9.170 5.307 -14.668 1.00 0.00 N ATOM 0 H LYS A 113 4.223 10.230 -15.161 1.00 0.00 H new ATOM 0 HA LYS A 113 4.084 8.303 -12.927 1.00 0.00 H new ATOM 0 HB2 LYS A 113 5.749 7.721 -14.872 1.00 0.00 H new ATOM 0 HB3 LYS A 113 6.683 9.081 -14.282 1.00 0.00 H new ATOM 0 HG2 LYS A 113 6.584 8.033 -11.950 1.00 0.00 H new ATOM 0 HG3 LYS A 113 5.839 6.623 -12.676 1.00 0.00 H new ATOM 0 HD2 LYS A 113 8.554 7.701 -13.554 1.00 0.00 H new ATOM 0 HD3 LYS A 113 8.368 6.481 -12.311 1.00 0.00 H new ATOM 0 HE2 LYS A 113 7.214 4.977 -13.925 1.00 0.00 H new ATOM 0 HE3 LYS A 113 7.319 6.206 -15.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 9.076 4.574 -15.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 9.740 6.094 -15.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 9.639 4.904 -13.832 1.00 0.00 H new ATOM 1847 N GLN A 114 3.926 10.445 -11.757 1.00 0.00 N ATOM 1848 CA GLN A 114 3.814 11.617 -10.890 1.00 0.00 C ATOM 1849 C GLN A 114 4.258 11.263 -9.468 1.00 0.00 C ATOM 1850 O GLN A 114 4.216 10.101 -9.054 1.00 0.00 O ATOM 1851 CB GLN A 114 2.370 12.139 -10.914 1.00 0.00 C ATOM 1852 CG GLN A 114 1.900 12.086 -12.367 1.00 0.00 C ATOM 1853 CD GLN A 114 0.624 12.796 -12.687 1.00 0.00 C ATOM 1854 OE1 GLN A 114 -0.098 13.358 -11.870 1.00 0.00 O ATOM 1855 NE2 GLN A 114 0.335 12.774 -13.960 1.00 0.00 N ATOM 0 H GLN A 114 3.124 9.820 -11.671 1.00 0.00 H new ATOM 0 HA GLN A 114 4.469 12.408 -11.255 1.00 0.00 H new ATOM 0 HB2 GLN A 114 1.729 11.528 -10.279 1.00 0.00 H new ATOM 0 HB3 GLN A 114 2.322 13.158 -10.530 1.00 0.00 H new ATOM 0 HG2 GLN A 114 2.688 12.503 -12.995 1.00 0.00 H new ATOM 0 HG3 GLN A 114 1.787 11.039 -12.650 1.00 0.00 H new ATOM 0 HE21 GLN A 114 0.955 12.298 -14.616 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -0.511 13.232 -14.299 1.00 0.00 H new ATOM 1864 N ASN A 115 4.647 12.267 -8.689 1.00 0.00 N ATOM 1865 CA ASN A 115 4.891 12.124 -7.279 1.00 0.00 C ATOM 1866 C ASN A 115 3.585 11.755 -6.563 1.00 0.00 C ATOM 1867 O ASN A 115 2.607 12.507 -6.618 1.00 0.00 O ATOM 1868 CB ASN A 115 5.512 13.437 -6.768 1.00 0.00 C ATOM 1869 CG ASN A 115 6.382 13.198 -5.554 1.00 0.00 C ATOM 1870 OD1 ASN A 115 5.974 12.326 -4.671 1.00 0.00 O flip ATOM 1871 ND2 ASN A 115 7.457 13.768 -5.402 1.00 0.00 N flip ATOM 0 H ASN A 115 4.801 13.214 -9.036 1.00 0.00 H new ATOM 0 HA ASN A 115 5.592 11.316 -7.072 1.00 0.00 H new ATOM 0 HB2 ASN A 115 6.106 13.893 -7.560 1.00 0.00 H new ATOM 0 HB3 ASN A 115 4.720 14.143 -6.517 1.00 0.00 H new ATOM 0 HD21 ASN A 115 7.775 14.449 -6.092 1.00 0.00 H new ATOM 0 HD22 ASN A 115 8.033 13.561 -4.586 1.00 0.00 H new ATOM 1878 N VAL A 116 3.594 10.610 -5.873 1.00 0.00 N ATOM 1879 CA VAL A 116 2.447 10.145 -5.087 1.00 0.00 C ATOM 1880 C VAL A 116 2.819 9.908 -3.624 1.00 0.00 C ATOM 1881 O VAL A 116 3.954 9.549 -3.297 1.00 0.00 O ATOM 1882 CB VAL A 116 1.774 8.918 -5.727 1.00 0.00 C ATOM 1883 CG1 VAL A 116 1.086 9.268 -7.041 1.00 0.00 C ATOM 1884 CG2 VAL A 116 2.734 7.758 -6.010 1.00 0.00 C ATOM 0 H VAL A 116 4.396 9.980 -5.844 1.00 0.00 H new ATOM 0 HA VAL A 116 1.706 10.945 -5.094 1.00 0.00 H new ATOM 0 HB VAL A 116 1.048 8.598 -4.979 1.00 0.00 H new ATOM 0 HG11 VAL A 116 0.624 8.374 -7.459 1.00 0.00 H new ATOM 0 HG12 VAL A 116 0.320 10.022 -6.861 1.00 0.00 H new ATOM 0 HG13 VAL A 116 1.822 9.659 -7.744 1.00 0.00 H new ATOM 0 HG21 VAL A 116 2.184 6.932 -6.460 1.00 0.00 H new ATOM 0 HG22 VAL A 116 3.514 8.090 -6.695 1.00 0.00 H new ATOM 0 HG23 VAL A 116 3.188 7.425 -5.076 1.00 0.00 H new ATOM 1894 N TYR A 117 1.837 10.115 -2.750 1.00 0.00 N ATOM 1895 CA TYR A 117 1.992 10.188 -1.298 1.00 0.00 C ATOM 1896 C TYR A 117 0.891 9.402 -0.566 1.00 0.00 C ATOM 1897 O TYR A 117 -0.192 9.165 -1.114 1.00 0.00 O ATOM 1898 CB TYR A 117 1.921 11.667 -0.879 1.00 0.00 C ATOM 1899 CG TYR A 117 2.692 12.655 -1.738 1.00 0.00 C ATOM 1900 CD1 TYR A 117 2.081 13.214 -2.880 1.00 0.00 C ATOM 1901 CD2 TYR A 117 3.996 13.050 -1.379 1.00 0.00 C ATOM 1902 CE1 TYR A 117 2.765 14.169 -3.651 1.00 0.00 C ATOM 1903 CE2 TYR A 117 4.669 14.037 -2.126 1.00 0.00 C ATOM 1904 CZ TYR A 117 4.052 14.603 -3.264 1.00 0.00 C ATOM 1905 OH TYR A 117 4.685 15.562 -3.988 1.00 0.00 O ATOM 0 H TYR A 117 0.869 10.242 -3.047 1.00 0.00 H new ATOM 0 HA TYR A 117 2.951 9.746 -1.027 1.00 0.00 H new ATOM 0 HB2 TYR A 117 0.874 11.969 -0.870 1.00 0.00 H new ATOM 0 HB3 TYR A 117 2.285 11.749 0.145 1.00 0.00 H new ATOM 0 HD1 TYR A 117 1.085 12.907 -3.162 1.00 0.00 H new ATOM 0 HD2 TYR A 117 4.481 12.595 -0.528 1.00 0.00 H new ATOM 0 HE1 TYR A 117 2.306 14.572 -4.541 1.00 0.00 H new ATOM 0 HE2 TYR A 117 5.656 14.361 -1.829 1.00 0.00 H new ATOM 0 HH TYR A 117 5.561 15.748 -3.589 1.00 0.00 H new ATOM 1915 N ASP A 118 1.151 9.028 0.686 1.00 0.00 N ATOM 1916 CA ASP A 118 0.218 8.308 1.554 1.00 0.00 C ATOM 1917 C ASP A 118 0.539 8.594 3.031 1.00 0.00 C ATOM 1918 O ASP A 118 1.663 8.401 3.499 1.00 0.00 O ATOM 1919 CB ASP A 118 0.214 6.796 1.245 1.00 0.00 C ATOM 1920 CG ASP A 118 1.553 6.066 1.481 1.00 0.00 C ATOM 1921 OD1 ASP A 118 2.471 6.163 0.628 1.00 0.00 O ATOM 1922 OD2 ASP A 118 1.657 5.309 2.479 1.00 0.00 O ATOM 0 H ASP A 118 2.044 9.223 1.139 1.00 0.00 H new ATOM 0 HA ASP A 118 -0.791 8.669 1.354 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -0.552 6.320 1.857 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -0.077 6.656 0.204 1.00 0.00 H new ATOM 1927 N ILE A 119 -0.443 9.109 3.772 1.00 0.00 N ATOM 1928 CA ILE A 119 -0.315 9.315 5.222 1.00 0.00 C ATOM 1929 C ILE A 119 -0.487 7.996 5.993 1.00 0.00 C ATOM 1930 O ILE A 119 -1.103 7.041 5.506 1.00 0.00 O ATOM 1931 CB ILE A 119 -1.301 10.391 5.726 1.00 0.00 C ATOM 1932 CG1 ILE A 119 -2.775 10.050 5.404 1.00 0.00 C ATOM 1933 CG2 ILE A 119 -0.876 11.755 5.150 1.00 0.00 C ATOM 1934 CD1 ILE A 119 -3.779 10.913 6.171 1.00 0.00 C ATOM 0 H ILE A 119 -1.345 9.395 3.391 1.00 0.00 H new ATOM 0 HA ILE A 119 0.695 9.678 5.413 1.00 0.00 H new ATOM 0 HB ILE A 119 -1.255 10.429 6.814 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -2.944 10.173 4.334 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -2.957 9.001 5.636 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -1.563 12.527 5.497 1.00 0.00 H new ATOM 0 HG22 ILE A 119 0.134 11.992 5.484 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -0.898 11.713 4.061 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -4.793 10.621 5.898 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -3.637 10.771 7.242 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -3.623 11.962 5.920 1.00 0.00 H new ATOM 1946 N GLY A 120 0.021 7.964 7.225 1.00 0.00 N ATOM 1947 CA GLY A 120 -0.184 6.873 8.179 1.00 0.00 C ATOM 1948 C GLY A 120 -1.232 7.233 9.235 1.00 0.00 C ATOM 1949 O GLY A 120 -1.404 8.401 9.588 1.00 0.00 O ATOM 0 H GLY A 120 0.602 8.716 7.597 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -0.499 5.977 7.645 1.00 0.00 H new ATOM 0 HA3 GLY A 120 0.760 6.636 8.669 1.00 0.00 H new ATOM 1953 N VAL A 121 -1.908 6.211 9.759 1.00 0.00 N ATOM 1954 CA VAL A 121 -2.976 6.276 10.780 1.00 0.00 C ATOM 1955 C VAL A 121 -2.971 4.979 11.626 1.00 0.00 C ATOM 1956 O VAL A 121 -2.055 4.160 11.514 1.00 0.00 O ATOM 1957 CB VAL A 121 -4.365 6.525 10.131 1.00 0.00 C ATOM 1958 CG1 VAL A 121 -4.543 7.955 9.607 1.00 0.00 C ATOM 1959 CG2 VAL A 121 -4.665 5.556 8.987 1.00 0.00 C ATOM 0 H VAL A 121 -1.719 5.251 9.470 1.00 0.00 H new ATOM 0 HA VAL A 121 -2.778 7.122 11.439 1.00 0.00 H new ATOM 0 HB VAL A 121 -5.070 6.357 10.945 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -5.534 8.060 9.167 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -4.435 8.660 10.431 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -3.786 8.162 8.851 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -5.648 5.777 8.571 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -3.909 5.666 8.209 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -4.652 4.533 9.364 1.00 0.00 H new ATOM 1969 N GLU A 122 -3.970 4.792 12.494 1.00 0.00 N ATOM 1970 CA GLU A 122 -4.213 3.555 13.263 1.00 0.00 C ATOM 1971 C GLU A 122 -4.526 2.315 12.377 1.00 0.00 C ATOM 1972 O GLU A 122 -4.541 2.402 11.145 1.00 0.00 O ATOM 1973 CB GLU A 122 -5.369 3.807 14.257 1.00 0.00 C ATOM 1974 CG GLU A 122 -5.170 5.017 15.188 1.00 0.00 C ATOM 1975 CD GLU A 122 -3.880 4.907 16.024 1.00 0.00 C ATOM 1976 OE1 GLU A 122 -3.776 3.983 16.870 1.00 0.00 O ATOM 1977 OE2 GLU A 122 -2.961 5.746 15.852 1.00 0.00 O ATOM 0 H GLU A 122 -4.658 5.519 12.691 1.00 0.00 H new ATOM 0 HA GLU A 122 -3.289 3.315 13.789 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -6.290 3.949 13.692 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -5.504 2.915 14.868 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -5.137 5.929 14.592 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -6.027 5.103 15.856 1.00 0.00 H new ATOM 1984 N ARG A 123 -4.820 1.162 13.014 1.00 0.00 N ATOM 1985 CA ARG A 123 -5.223 -0.128 12.391 1.00 0.00 C ATOM 1986 C ARG A 123 -6.214 0.014 11.228 1.00 0.00 C ATOM 1987 O ARG A 123 -6.131 -0.710 10.234 1.00 0.00 O ATOM 1988 CB ARG A 123 -5.888 -1.021 13.456 1.00 0.00 C ATOM 1989 CG ARG A 123 -4.997 -1.497 14.612 1.00 0.00 C ATOM 1990 CD ARG A 123 -4.037 -2.622 14.202 1.00 0.00 C ATOM 1991 NE ARG A 123 -3.455 -3.284 15.390 1.00 0.00 N ATOM 1992 CZ ARG A 123 -4.040 -4.181 16.171 1.00 0.00 C ATOM 1993 NH1 ARG A 123 -5.243 -4.638 15.939 1.00 0.00 N ATOM 1994 NH2 ARG A 123 -3.424 -4.639 17.222 1.00 0.00 N ATOM 0 H ARG A 123 -4.782 1.097 14.031 1.00 0.00 H new ATOM 0 HA ARG A 123 -4.306 -0.560 11.991 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -6.731 -0.475 13.879 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -6.296 -1.900 12.957 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -4.420 -0.653 14.990 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -5.627 -1.844 15.431 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -4.569 -3.356 13.597 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -3.239 -2.215 13.581 1.00 0.00 H new ATOM 0 HE ARG A 123 -2.500 -3.022 15.635 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -5.768 -4.304 15.131 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -5.656 -5.328 16.566 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -2.486 -4.308 17.448 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -3.879 -5.329 17.819 1.00 0.00 H new ATOM 2008 N ASP A 124 -7.164 0.935 11.368 1.00 0.00 N ATOM 2009 CA ASP A 124 -8.088 1.391 10.328 1.00 0.00 C ATOM 2010 C ASP A 124 -7.355 2.283 9.294 1.00 0.00 C ATOM 2011 O ASP A 124 -7.496 3.510 9.293 1.00 0.00 O ATOM 2012 CB ASP A 124 -9.272 2.100 10.998 1.00 0.00 C ATOM 2013 CG ASP A 124 -10.092 1.122 11.845 1.00 0.00 C ATOM 2014 OD1 ASP A 124 -10.901 0.350 11.273 1.00 0.00 O ATOM 2015 OD2 ASP A 124 -9.921 1.092 13.094 1.00 0.00 O ATOM 0 H ASP A 124 -7.320 1.410 12.257 1.00 0.00 H new ATOM 0 HA ASP A 124 -8.477 0.541 9.767 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -8.906 2.912 11.627 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -9.909 2.549 10.236 1.00 0.00 H new ATOM 2020 N HIS A 125 -6.540 1.645 8.446 1.00 0.00 N ATOM 2021 CA HIS A 125 -5.682 2.234 7.407 1.00 0.00 C ATOM 2022 C HIS A 125 -6.450 2.914 6.243 1.00 0.00 C ATOM 2023 O HIS A 125 -6.237 2.586 5.076 1.00 0.00 O ATOM 2024 CB HIS A 125 -4.717 1.151 6.881 1.00 0.00 C ATOM 2025 CG HIS A 125 -3.798 0.527 7.906 1.00 0.00 C ATOM 2026 ND1 HIS A 125 -3.652 -0.821 8.150 1.00 0.00 N ATOM 2027 CD2 HIS A 125 -2.877 1.175 8.687 1.00 0.00 C ATOM 2028 CE1 HIS A 125 -2.678 -0.984 9.063 1.00 0.00 C ATOM 2029 NE2 HIS A 125 -2.167 0.210 9.419 1.00 0.00 N ATOM 0 H HIS A 125 -6.456 0.629 8.468 1.00 0.00 H new ATOM 0 HA HIS A 125 -5.128 3.046 7.877 1.00 0.00 H new ATOM 0 HB2 HIS A 125 -5.308 0.358 6.422 1.00 0.00 H new ATOM 0 HB3 HIS A 125 -4.105 1.590 6.093 1.00 0.00 H new ATOM 0 HD2 HIS A 125 -2.724 2.243 8.732 1.00 0.00 H new ATOM 0 HE1 HIS A 125 -2.352 -1.936 9.455 1.00 0.00 H new ATOM 0 HE2 HIS A 125 -1.415 0.379 10.087 1.00 0.00 H new ATOM 2037 N ASN A 126 -7.364 3.844 6.528 1.00 0.00 N ATOM 2038 CA ASN A 126 -8.198 4.543 5.545 1.00 0.00 C ATOM 2039 C ASN A 126 -8.417 6.026 5.900 1.00 0.00 C ATOM 2040 O ASN A 126 -8.201 6.449 7.043 1.00 0.00 O ATOM 2041 CB ASN A 126 -9.531 3.787 5.388 1.00 0.00 C ATOM 2042 CG ASN A 126 -10.557 4.158 6.453 1.00 0.00 C ATOM 2043 OD1 ASN A 126 -11.248 5.164 6.362 1.00 0.00 O ATOM 2044 ND2 ASN A 126 -10.690 3.380 7.498 1.00 0.00 N ATOM 0 H ASN A 126 -7.551 4.143 7.485 1.00 0.00 H new ATOM 0 HA ASN A 126 -7.673 4.549 4.590 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -9.947 3.996 4.402 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -9.341 2.715 5.433 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -11.365 3.615 8.226 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -10.119 2.539 7.584 1.00 0.00 H new ATOM 2051 N PHE A 127 -8.868 6.803 4.912 1.00 0.00 N ATOM 2052 CA PHE A 127 -9.238 8.213 5.066 1.00 0.00 C ATOM 2053 C PHE A 127 -10.210 8.679 3.963 1.00 0.00 C ATOM 2054 O PHE A 127 -10.199 8.151 2.846 1.00 0.00 O ATOM 2055 CB PHE A 127 -7.973 9.091 5.108 1.00 0.00 C ATOM 2056 CG PHE A 127 -6.958 8.779 4.026 1.00 0.00 C ATOM 2057 CD1 PHE A 127 -7.208 9.177 2.702 1.00 0.00 C ATOM 2058 CD2 PHE A 127 -5.792 8.044 4.324 1.00 0.00 C ATOM 2059 CE1 PHE A 127 -6.311 8.834 1.682 1.00 0.00 C ATOM 2060 CE2 PHE A 127 -4.892 7.701 3.299 1.00 0.00 C ATOM 2061 CZ PHE A 127 -5.154 8.091 1.974 1.00 0.00 C ATOM 0 H PHE A 127 -8.989 6.461 3.959 1.00 0.00 H new ATOM 0 HA PHE A 127 -9.767 8.320 6.013 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -8.268 10.137 5.022 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -7.496 8.974 6.081 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -8.094 9.749 2.470 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -5.590 7.744 5.342 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -6.509 9.142 0.666 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -4.000 7.138 3.530 1.00 0.00 H new ATOM 0 HZ PHE A 127 -4.469 7.821 1.184 1.00 0.00 H new ATOM 2071 N ALA A 128 -11.046 9.679 4.267 1.00 0.00 N ATOM 2072 CA ALA A 128 -12.012 10.256 3.327 1.00 0.00 C ATOM 2073 C ALA A 128 -11.390 11.321 2.391 1.00 0.00 C ATOM 2074 O ALA A 128 -10.477 12.059 2.777 1.00 0.00 O ATOM 2075 CB ALA A 128 -13.176 10.855 4.126 1.00 0.00 C ATOM 0 H ALA A 128 -11.070 10.116 5.188 1.00 0.00 H new ATOM 0 HA ALA A 128 -12.364 9.456 2.676 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -13.903 11.288 3.440 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -13.654 10.072 4.715 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -12.799 11.631 4.792 1.00 0.00 H new ATOM 2081 N LEU A 129 -11.938 11.443 1.178 1.00 0.00 N ATOM 2082 CA LEU A 129 -11.515 12.373 0.122 1.00 0.00 C ATOM 2083 C LEU A 129 -12.515 13.532 -0.077 1.00 0.00 C ATOM 2084 O LEU A 129 -13.596 13.540 0.513 1.00 0.00 O ATOM 2085 CB LEU A 129 -11.368 11.550 -1.174 1.00 0.00 C ATOM 2086 CG LEU A 129 -10.140 10.614 -1.174 1.00 0.00 C ATOM 2087 CD1 LEU A 129 -10.318 9.433 -2.125 1.00 0.00 C ATOM 2088 CD2 LEU A 129 -8.921 11.381 -1.662 1.00 0.00 C ATOM 0 H LEU A 129 -12.729 10.867 0.890 1.00 0.00 H new ATOM 0 HA LEU A 129 -10.571 12.840 0.403 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -12.269 10.954 -1.321 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -11.295 12.232 -2.021 1.00 0.00 H new ATOM 0 HG LEU A 129 -10.021 10.250 -0.154 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -9.430 8.802 -2.092 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -11.188 8.851 -1.823 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -10.463 9.802 -3.140 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -8.053 10.722 -1.663 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -9.101 11.745 -2.673 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -8.734 12.227 -1.000 1.00 0.00 H new ATOM 2100 N LYS A 130 -12.188 14.488 -0.963 1.00 0.00 N ATOM 2101 CA LYS A 130 -13.040 15.642 -1.338 1.00 0.00 C ATOM 2102 C LYS A 130 -14.477 15.276 -1.728 1.00 0.00 C ATOM 2103 O LYS A 130 -15.431 15.870 -1.226 1.00 0.00 O ATOM 2104 CB LYS A 130 -12.347 16.402 -2.484 1.00 0.00 C ATOM 2105 CG LYS A 130 -13.103 17.681 -2.885 1.00 0.00 C ATOM 2106 CD LYS A 130 -12.423 18.440 -4.032 1.00 0.00 C ATOM 2107 CE LYS A 130 -12.604 17.719 -5.377 1.00 0.00 C ATOM 2108 NZ LYS A 130 -11.957 18.469 -6.487 1.00 0.00 N ATOM 0 H LYS A 130 -11.296 14.484 -1.457 1.00 0.00 H new ATOM 0 HA LYS A 130 -13.144 16.265 -0.450 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -11.333 16.663 -2.181 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -12.262 15.747 -3.351 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -14.119 17.419 -3.181 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -13.183 18.337 -2.018 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -12.838 19.446 -4.099 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -11.360 18.548 -3.817 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -12.177 16.718 -5.315 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -13.667 17.600 -5.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -12.097 17.956 -7.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -12.382 19.415 -6.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -10.939 18.561 -6.297 1.00 0.00 H new ATOM 2122 N ASN A 131 -14.624 14.293 -2.621 1.00 0.00 N ATOM 2123 CA ASN A 131 -15.924 13.767 -3.070 1.00 0.00 C ATOM 2124 C ASN A 131 -16.557 12.799 -2.056 1.00 0.00 C ATOM 2125 O ASN A 131 -17.689 12.356 -2.236 1.00 0.00 O ATOM 2126 CB ASN A 131 -15.728 13.044 -4.412 1.00 0.00 C ATOM 2127 CG ASN A 131 -15.347 13.994 -5.527 1.00 0.00 C ATOM 2128 OD1 ASN A 131 -16.192 14.622 -6.151 1.00 0.00 O ATOM 2129 ND2 ASN A 131 -14.077 14.112 -5.841 1.00 0.00 N ATOM 0 H ASN A 131 -13.830 13.829 -3.063 1.00 0.00 H new ATOM 0 HA ASN A 131 -16.605 14.612 -3.173 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -14.953 12.285 -4.303 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -16.648 12.524 -4.679 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -13.795 14.727 -6.605 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -13.372 13.589 -5.321 1.00 0.00 H new ATOM 2136 N GLY A 132 -15.799 12.413 -1.030 1.00 0.00 N ATOM 2137 CA GLY A 132 -16.222 11.526 0.044 1.00 0.00 C ATOM 2138 C GLY A 132 -15.724 10.089 -0.073 1.00 0.00 C ATOM 2139 O GLY A 132 -15.918 9.329 0.872 1.00 0.00 O ATOM 0 H GLY A 132 -14.834 12.725 -0.924 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -15.877 11.938 0.992 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -17.311 11.515 0.078 1.00 0.00 H new ATOM 2143 N PHE A 133 -15.086 9.722 -1.192 1.00 0.00 N ATOM 2144 CA PHE A 133 -14.461 8.407 -1.389 1.00 0.00 C ATOM 2145 C PHE A 133 -13.526 8.053 -0.231 1.00 0.00 C ATOM 2146 O PHE A 133 -12.902 8.937 0.357 1.00 0.00 O ATOM 2147 CB PHE A 133 -13.672 8.388 -2.711 1.00 0.00 C ATOM 2148 CG PHE A 133 -14.435 7.892 -3.918 1.00 0.00 C ATOM 2149 CD1 PHE A 133 -15.748 8.323 -4.167 1.00 0.00 C ATOM 2150 CD2 PHE A 133 -13.821 6.975 -4.787 1.00 0.00 C ATOM 2151 CE1 PHE A 133 -16.461 7.799 -5.261 1.00 0.00 C ATOM 2152 CE2 PHE A 133 -14.530 6.459 -5.883 1.00 0.00 C ATOM 2153 CZ PHE A 133 -15.856 6.857 -6.108 1.00 0.00 C ATOM 0 H PHE A 133 -14.988 10.339 -1.998 1.00 0.00 H new ATOM 0 HA PHE A 133 -15.258 7.664 -1.426 1.00 0.00 H new ATOM 0 HB2 PHE A 133 -13.318 9.398 -2.917 1.00 0.00 H new ATOM 0 HB3 PHE A 133 -12.790 7.762 -2.578 1.00 0.00 H new ATOM 0 HD1 PHE A 133 -16.209 9.055 -3.520 1.00 0.00 H new ATOM 0 HD2 PHE A 133 -12.801 6.666 -4.611 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -17.474 8.122 -5.449 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -14.055 5.757 -6.552 1.00 0.00 H new ATOM 0 HZ PHE A 133 -16.412 6.438 -6.934 1.00 0.00 H new ATOM 2163 N ILE A 134 -13.371 6.760 0.046 1.00 0.00 N ATOM 2164 CA ILE A 134 -12.473 6.273 1.090 1.00 0.00 C ATOM 2165 C ILE A 134 -11.396 5.418 0.429 1.00 0.00 C ATOM 2166 O ILE A 134 -11.651 4.308 -0.045 1.00 0.00 O ATOM 2167 CB ILE A 134 -13.221 5.553 2.229 1.00 0.00 C ATOM 2168 CG1 ILE A 134 -14.239 6.463 2.955 1.00 0.00 C ATOM 2169 CG2 ILE A 134 -12.192 5.050 3.249 1.00 0.00 C ATOM 2170 CD1 ILE A 134 -15.642 6.378 2.347 1.00 0.00 C ATOM 0 H ILE A 134 -13.866 6.018 -0.449 1.00 0.00 H new ATOM 0 HA ILE A 134 -11.994 7.117 1.587 1.00 0.00 H new ATOM 0 HB ILE A 134 -13.783 4.732 1.783 1.00 0.00 H new ATOM 0 HG12 ILE A 134 -14.285 6.183 4.007 1.00 0.00 H new ATOM 0 HG13 ILE A 134 -13.891 7.495 2.915 1.00 0.00 H new ATOM 0 HG21 ILE A 134 -12.706 4.538 4.062 1.00 0.00 H new ATOM 0 HG22 ILE A 134 -11.505 4.359 2.762 1.00 0.00 H new ATOM 0 HG23 ILE A 134 -11.633 5.896 3.649 1.00 0.00 H new ATOM 0 HD11 ILE A 134 -16.316 7.036 2.895 1.00 0.00 H new ATOM 0 HD12 ILE A 134 -15.605 6.685 1.302 1.00 0.00 H new ATOM 0 HD13 ILE A 134 -16.005 5.352 2.411 1.00 0.00 H new ATOM 2182 N ALA A 135 -10.192 5.972 0.382 1.00 0.00 N ATOM 2183 CA ALA A 135 -8.995 5.249 -0.018 1.00 0.00 C ATOM 2184 C ALA A 135 -8.423 4.544 1.222 1.00 0.00 C ATOM 2185 O ALA A 135 -8.462 5.093 2.330 1.00 0.00 O ATOM 2186 CB ALA A 135 -8.011 6.241 -0.642 1.00 0.00 C ATOM 0 H ALA A 135 -10.018 6.948 0.624 1.00 0.00 H new ATOM 0 HA ALA A 135 -9.209 4.486 -0.767 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -7.107 5.714 -0.947 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -8.470 6.709 -1.513 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -7.754 7.007 0.089 1.00 0.00 H new ATOM 2192 N SER A 136 -7.880 3.342 1.033 1.00 0.00 N ATOM 2193 CA SER A 136 -7.421 2.459 2.111 1.00 0.00 C ATOM 2194 C SER A 136 -6.022 1.924 1.790 1.00 0.00 C ATOM 2195 O SER A 136 -5.860 1.093 0.899 1.00 0.00 O ATOM 2196 CB SER A 136 -8.404 1.304 2.338 1.00 0.00 C ATOM 2197 OG SER A 136 -9.703 1.795 2.628 1.00 0.00 O ATOM 0 H SER A 136 -7.743 2.943 0.104 1.00 0.00 H new ATOM 0 HA SER A 136 -7.374 3.039 3.033 1.00 0.00 H new ATOM 0 HB2 SER A 136 -8.439 0.672 1.451 1.00 0.00 H new ATOM 0 HB3 SER A 136 -8.055 0.680 3.161 1.00 0.00 H new ATOM 0 HG SER A 136 -10.314 1.042 2.767 1.00 0.00 H new ATOM 2203 N ASN A 137 -4.995 2.461 2.455 1.00 0.00 N ATOM 2204 CA ASN A 137 -3.581 2.151 2.186 1.00 0.00 C ATOM 2205 C ASN A 137 -3.226 0.661 2.406 1.00 0.00 C ATOM 2206 O ASN A 137 -2.748 0.006 1.448 1.00 0.00 O ATOM 2207 CB ASN A 137 -2.703 3.103 3.023 1.00 0.00 C ATOM 2208 CG ASN A 137 -1.209 2.837 2.868 1.00 0.00 C ATOM 2209 OD1 ASN A 137 -0.691 2.566 1.790 1.00 0.00 O ATOM 2210 ND2 ASN A 137 -0.463 2.902 3.949 1.00 0.00 N ATOM 0 H ASN A 137 -5.121 3.136 3.209 1.00 0.00 H new ATOM 0 HA ASN A 137 -3.384 2.316 1.127 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -2.914 4.132 2.731 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -2.975 3.007 4.074 1.00 0.00 H new ATOM 0 HD21 ASN A 137 0.540 2.728 3.888 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -0.887 3.127 4.849 1.00 0.00 H new TER 2217 ASN A 137