USER MOD reduce.3.24.130724 H: found=0, std=0, add=891, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 894 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 79 SER OG : rot -151:sc= 0 USER MOD Set 1.2: A 80 THR OG1 : rot 85:sc= 0.877 USER MOD Set 2.1: A 69 THR OG1 : rot 180:sc= 0.349! USER MOD Set 2.2: A 70 GLN : amide:sc= -1.74! C(o=-1.4!,f=-2.3!) USER MOD Set 3.1: A 20 SER OG : rot -177:sc= -5.24! USER MOD Set 3.2: A 23 CYS SG : rot 180:sc= -0.85 USER MOD Set 4.1: A 9 HIS : no HE2:sc= -6.93! C(o=-7.5!,f=-9.6!) USER MOD Set 4.2: A 13 SER OG : rot 71:sc= -0.542 USER MOD Set 5.1: A 2 ASN :FLIP amide:sc= -4.4! C(o=-9.1!,f=-5.9!) USER MOD Set 5.2: A 58 THR OG1 : rot 110:sc= -1.94 USER MOD Set 5.3: A 62 HIS :FLIP no HD1:sc= 0.417 F(o=-10,f=-5.9) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -7.01! C(o=-7!,f=-12!) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot -83:sc= 0.286! USER MOD Single : A 26 LYS NZ :NH3+ -178:sc= -0.253 (180deg=-0.271) USER MOD Single : A 30 ASN :FLIP amide:sc= -1.14 F(o=-2.2!,f=-1.1) USER MOD Single : A 34 ASN : amide:sc= -2.34 K(o=-2.3,f=-5.1!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0799! USER MOD Single : A 38 THR OG1 : rot -13:sc= 1.17 USER MOD Single : A 40 GLN :FLIP amide:sc= -2.01! C(o=-3.4!,f=-2!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -179:sc= -1.98! USER MOD Single : A 53 LYS NZ :NH3+ 171:sc=-0.00423 (180deg=-0.196) USER MOD Single : A 57 GLN : amide:sc= -1.15 X(o=-1.2,f=-0.66) USER MOD Single : A 61 SER OG : rot 103:sc= 1.09 USER MOD Single : A 65 ASN : amide:sc= -1.63! C(o=-1.6!,f=-1.7!) USER MOD Single : A 73 THR OG1 : rot 67:sc= -3.44! USER MOD Single : A 75 LYS NZ :NH3+ 171:sc= -1.48 (180deg=-2.08) USER MOD Single : A 78 GLN : amide:sc= -1.02 X(o=-1,f=-0.6) USER MOD Single : A 87 ASN : amide:sc= -2.72! C(o=-2.7!,f=-6.7!) USER MOD Single : A 88 TYR OH : rot 29:sc= -2.3! USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN :FLIP amide:sc= -0.736 F(o=-3!,f=-0.74) USER MOD Single : A 98 SER OG : rot 69:sc= 0.0745 USER MOD Single : A 102 SER OG : rot 162:sc= -4.62! USER MOD Single : A 105 SER OG : rot 90:sc= 1 USER MOD Single : A 107 GLN : amide:sc= -14! C(o=-14!,f=-18!) USER MOD Single : A 108 MET CE :methyl -134:sc= -8.54! (180deg=-17.9!) USER MOD Single : A 109 THR OG1 : rot -64:sc= 0.985 USER MOD Single : A 111 GLN :FLIP amide:sc= -0.708 F(o=-3!,f=-0.71) USER MOD Single : A 114 LYS NZ :NH3+ 166:sc= -7.13! (180deg=-7.69!) USER MOD Single : A 123 GLN : amide:sc= -2.26 X(o=-2.3,f=-2.3) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 2 -3.044 8.279 -9.998 1.00 0.00 N ATOM 21 CA ASN A 2 -2.936 8.452 -8.554 1.00 0.00 C ATOM 22 C ASN A 2 -1.724 9.311 -8.198 1.00 0.00 C ATOM 23 O ASN A 2 -1.143 9.969 -9.061 1.00 0.00 O ATOM 24 CB ASN A 2 -2.840 7.087 -7.863 1.00 0.00 C ATOM 25 CG ASN A 2 -1.493 6.420 -8.075 1.00 0.00 C ATOM 26 OD1 ASN A 2 -0.646 6.459 -7.054 1.00 0.00 O flip ATOM 27 ND2 ASN A 2 -1.218 5.878 -9.146 1.00 0.00 N flip ATOM 0 HA ASN A 2 -3.832 8.964 -8.203 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.016 7.211 -6.794 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.628 6.436 -8.242 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -1.900 5.872 -9.904 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -0.308 5.435 -9.275 1.00 0.00 H new ATOM 34 N LEU A 3 -1.344 9.294 -6.924 1.00 0.00 N ATOM 35 CA LEU A 3 -0.197 10.066 -6.458 1.00 0.00 C ATOM 36 C LEU A 3 1.105 9.365 -6.822 1.00 0.00 C ATOM 37 O LEU A 3 1.101 8.331 -7.490 1.00 0.00 O ATOM 38 CB LEU A 3 -0.259 10.266 -4.941 1.00 0.00 C ATOM 39 CG LEU A 3 -1.496 10.997 -4.416 1.00 0.00 C ATOM 40 CD1 LEU A 3 -2.691 10.056 -4.354 1.00 0.00 C ATOM 41 CD2 LEU A 3 -1.208 11.592 -3.044 1.00 0.00 C ATOM 0 H LEU A 3 -1.813 8.755 -6.196 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.229 11.039 -6.948 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.208 9.288 -4.462 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.627 10.820 -4.630 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.740 11.807 -5.103 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.560 10.596 -3.978 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.905 9.674 -5.352 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.465 9.224 -3.687 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.095 12.110 -2.679 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.942 10.795 -2.350 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -0.381 12.298 -3.120 1.00 0.00 H new ATOM 53 N SER A 4 2.219 9.924 -6.365 1.00 0.00 N ATOM 54 CA SER A 4 3.525 9.342 -6.629 1.00 0.00 C ATOM 55 C SER A 4 4.033 8.617 -5.389 1.00 0.00 C ATOM 56 O SER A 4 3.666 8.960 -4.269 1.00 0.00 O ATOM 57 CB SER A 4 4.517 10.426 -7.063 1.00 0.00 C ATOM 58 OG SER A 4 5.775 10.264 -6.429 1.00 0.00 O ATOM 0 H SER A 4 2.242 10.780 -5.810 1.00 0.00 H new ATOM 0 HA SER A 4 3.431 8.621 -7.441 1.00 0.00 H new ATOM 0 HB2 SER A 4 4.646 10.390 -8.145 1.00 0.00 H new ATOM 0 HB3 SER A 4 4.111 11.409 -6.823 1.00 0.00 H new ATOM 0 HG SER A 4 6.385 10.970 -6.728 1.00 0.00 H new ATOM 64 N LEU A 5 4.878 7.617 -5.597 1.00 0.00 N ATOM 65 CA LEU A 5 5.438 6.840 -4.489 1.00 0.00 C ATOM 66 C LEU A 5 5.944 7.747 -3.394 1.00 0.00 C ATOM 67 O LEU A 5 5.482 7.701 -2.260 1.00 0.00 O ATOM 68 CB LEU A 5 6.581 5.972 -4.970 1.00 0.00 C ATOM 69 CG LEU A 5 6.215 5.021 -6.072 1.00 0.00 C ATOM 70 CD1 LEU A 5 7.432 4.281 -6.605 1.00 0.00 C ATOM 71 CD2 LEU A 5 5.149 4.050 -5.600 1.00 0.00 C ATOM 0 H LEU A 5 5.194 7.321 -6.521 1.00 0.00 H new ATOM 0 HA LEU A 5 4.640 6.211 -4.096 1.00 0.00 H new ATOM 0 HB2 LEU A 5 7.390 6.616 -5.316 1.00 0.00 H new ATOM 0 HB3 LEU A 5 6.967 5.400 -4.126 1.00 0.00 H new ATOM 0 HG LEU A 5 5.809 5.606 -6.897 1.00 0.00 H new ATOM 0 HD11 LEU A 5 7.125 3.602 -7.401 1.00 0.00 H new ATOM 0 HD12 LEU A 5 8.152 4.999 -6.998 1.00 0.00 H new ATOM 0 HD13 LEU A 5 7.893 3.710 -5.799 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.894 3.367 -6.410 1.00 0.00 H new ATOM 0 HD22 LEU A 5 5.526 3.481 -4.751 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.260 4.604 -5.299 1.00 0.00 H new ATOM 83 N SER A 6 6.917 8.556 -3.752 1.00 0.00 N ATOM 84 CA SER A 6 7.530 9.481 -2.825 1.00 0.00 C ATOM 85 C SER A 6 6.493 10.189 -1.936 1.00 0.00 C ATOM 86 O SER A 6 6.514 10.053 -0.708 1.00 0.00 O ATOM 87 CB SER A 6 8.347 10.511 -3.604 1.00 0.00 C ATOM 88 OG SER A 6 8.598 11.667 -2.822 1.00 0.00 O ATOM 0 H SER A 6 7.305 8.591 -4.694 1.00 0.00 H new ATOM 0 HA SER A 6 8.181 8.910 -2.163 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.293 10.068 -3.916 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.812 10.792 -4.511 1.00 0.00 H new ATOM 0 HG SER A 6 9.124 12.308 -3.345 1.00 0.00 H new ATOM 94 N ASP A 7 5.588 10.947 -2.558 1.00 0.00 N ATOM 95 CA ASP A 7 4.563 11.676 -1.811 1.00 0.00 C ATOM 96 C ASP A 7 3.553 10.719 -1.204 1.00 0.00 C ATOM 97 O ASP A 7 3.340 10.708 0.008 1.00 0.00 O ATOM 98 CB ASP A 7 3.839 12.687 -2.706 1.00 0.00 C ATOM 99 CG ASP A 7 4.757 13.329 -3.728 1.00 0.00 C ATOM 100 OD1 ASP A 7 5.898 13.681 -3.362 1.00 0.00 O ATOM 101 OD2 ASP A 7 4.335 13.480 -4.894 1.00 0.00 O ATOM 0 H ASP A 7 5.544 11.071 -3.569 1.00 0.00 H new ATOM 0 HA ASP A 7 5.067 12.217 -1.010 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.020 12.187 -3.223 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.395 13.464 -2.084 1.00 0.00 H new ATOM 106 N LEU A 8 2.938 9.913 -2.058 1.00 0.00 N ATOM 107 CA LEU A 8 1.951 8.937 -1.623 1.00 0.00 C ATOM 108 C LEU A 8 2.444 8.181 -0.395 1.00 0.00 C ATOM 109 O LEU A 8 1.718 8.017 0.586 1.00 0.00 O ATOM 110 CB LEU A 8 1.669 7.964 -2.757 1.00 0.00 C ATOM 111 CG LEU A 8 0.479 7.043 -2.535 1.00 0.00 C ATOM 112 CD1 LEU A 8 -0.816 7.838 -2.585 1.00 0.00 C ATOM 113 CD2 LEU A 8 0.483 5.933 -3.572 1.00 0.00 C ATOM 0 H LEU A 8 3.108 9.917 -3.064 1.00 0.00 H new ATOM 0 HA LEU A 8 1.033 9.460 -1.354 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.502 8.534 -3.671 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.557 7.353 -2.920 1.00 0.00 H new ATOM 0 HG LEU A 8 0.556 6.587 -1.548 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.661 7.168 -2.425 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.805 8.601 -1.806 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.912 8.316 -3.560 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.372 5.278 -3.407 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.420 6.367 -4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.404 5.357 -3.485 1.00 0.00 H new ATOM 125 N HIS A 9 3.695 7.746 -0.449 1.00 0.00 N ATOM 126 CA HIS A 9 4.302 7.041 0.665 1.00 0.00 C ATOM 127 C HIS A 9 4.429 7.994 1.835 1.00 0.00 C ATOM 128 O HIS A 9 4.193 7.635 2.988 1.00 0.00 O ATOM 129 CB HIS A 9 5.683 6.516 0.282 1.00 0.00 C ATOM 130 CG HIS A 9 6.308 5.658 1.339 1.00 0.00 C ATOM 131 ND1 HIS A 9 7.223 6.138 2.252 1.00 0.00 N ATOM 132 CD2 HIS A 9 6.149 4.344 1.624 1.00 0.00 C ATOM 133 CE1 HIS A 9 7.600 5.157 3.052 1.00 0.00 C ATOM 134 NE2 HIS A 9 6.963 4.058 2.693 1.00 0.00 N ATOM 0 H HIS A 9 4.308 7.870 -1.255 1.00 0.00 H new ATOM 0 HA HIS A 9 3.674 6.192 0.936 1.00 0.00 H new ATOM 0 HB2 HIS A 9 5.602 5.941 -0.641 1.00 0.00 H new ATOM 0 HB3 HIS A 9 6.340 7.361 0.075 1.00 0.00 H new ATOM 0 HD1 HIS A 9 7.557 7.101 2.302 1.00 0.00 H new ATOM 0 HD2 HIS A 9 5.503 3.650 1.107 1.00 0.00 H new ATOM 0 HE1 HIS A 9 8.309 5.240 3.862 1.00 0.00 H new ATOM 143 N ARG A 10 4.802 9.226 1.511 1.00 0.00 N ATOM 144 CA ARG A 10 4.965 10.271 2.515 1.00 0.00 C ATOM 145 C ARG A 10 3.716 10.398 3.389 1.00 0.00 C ATOM 146 O ARG A 10 3.803 10.341 4.615 1.00 0.00 O ATOM 147 CB ARG A 10 5.271 11.609 1.837 1.00 0.00 C ATOM 148 CG ARG A 10 6.602 12.213 2.252 1.00 0.00 C ATOM 149 CD ARG A 10 6.582 13.732 2.161 1.00 0.00 C ATOM 150 NE ARG A 10 6.010 14.203 0.900 1.00 0.00 N ATOM 151 CZ ARG A 10 6.172 15.437 0.428 1.00 0.00 C ATOM 152 NH1 ARG A 10 6.892 16.324 1.102 1.00 0.00 N ATOM 153 NH2 ARG A 10 5.613 15.783 -0.724 1.00 0.00 N ATOM 0 H ARG A 10 4.998 9.527 0.556 1.00 0.00 H new ATOM 0 HA ARG A 10 5.801 9.995 3.158 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.267 11.468 0.756 1.00 0.00 H new ATOM 0 HB3 ARG A 10 4.473 12.315 2.069 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.836 11.912 3.273 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.395 11.820 1.615 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.005 14.136 2.993 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.598 14.114 2.262 1.00 0.00 H new ATOM 0 HE ARG A 10 5.455 13.548 0.350 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.325 16.062 1.987 1.00 0.00 H new ATOM 0 HH12 ARG A 10 7.012 17.268 0.735 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.060 15.104 -1.247 1.00 0.00 H new ATOM 0 HH22 ARG A 10 5.736 16.728 -1.087 1.00 0.00 H new ATOM 167 N GLN A 11 2.555 10.574 2.757 1.00 0.00 N ATOM 168 CA GLN A 11 1.304 10.711 3.501 1.00 0.00 C ATOM 169 C GLN A 11 0.910 9.392 4.171 1.00 0.00 C ATOM 170 O GLN A 11 0.711 9.336 5.390 1.00 0.00 O ATOM 171 CB GLN A 11 0.164 11.218 2.600 1.00 0.00 C ATOM 172 CG GLN A 11 0.212 10.715 1.161 1.00 0.00 C ATOM 173 CD GLN A 11 0.809 11.718 0.188 1.00 0.00 C ATOM 174 OE1 GLN A 11 0.527 11.677 -1.008 1.00 0.00 O ATOM 175 NE2 GLN A 11 1.640 12.622 0.690 1.00 0.00 N ATOM 0 H GLN A 11 2.455 10.625 1.743 1.00 0.00 H new ATOM 0 HA GLN A 11 1.473 11.454 4.281 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.788 10.922 3.042 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.186 12.308 2.590 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.795 9.795 1.125 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.799 10.465 0.838 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.849 12.624 1.688 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.070 13.315 0.078 1.00 0.00 H new ATOM 184 N VAL A 12 0.805 8.326 3.379 1.00 0.00 N ATOM 185 CA VAL A 12 0.437 7.019 3.912 1.00 0.00 C ATOM 186 C VAL A 12 1.336 6.645 5.095 1.00 0.00 C ATOM 187 O VAL A 12 0.854 6.268 6.176 1.00 0.00 O ATOM 188 CB VAL A 12 0.502 5.934 2.804 1.00 0.00 C ATOM 189 CG1 VAL A 12 1.929 5.487 2.540 1.00 0.00 C ATOM 190 CG2 VAL A 12 -0.377 4.744 3.152 1.00 0.00 C ATOM 0 H VAL A 12 0.969 8.343 2.372 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.591 7.074 4.270 1.00 0.00 H new ATOM 0 HB VAL A 12 0.121 6.385 1.888 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.934 4.727 1.758 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.524 6.342 2.219 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.355 5.071 3.453 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.312 3.999 2.359 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.039 4.304 4.091 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.411 5.074 3.257 1.00 0.00 H new ATOM 200 N SER A 13 2.644 6.778 4.887 1.00 0.00 N ATOM 201 CA SER A 13 3.618 6.475 5.922 1.00 0.00 C ATOM 202 C SER A 13 3.436 7.397 7.110 1.00 0.00 C ATOM 203 O SER A 13 3.497 6.966 8.259 1.00 0.00 O ATOM 204 CB SER A 13 5.039 6.603 5.372 1.00 0.00 C ATOM 205 OG SER A 13 5.249 5.710 4.293 1.00 0.00 O ATOM 0 H SER A 13 3.050 7.095 4.007 1.00 0.00 H new ATOM 0 HA SER A 13 3.460 5.448 6.250 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.213 7.627 5.041 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.759 6.397 6.164 1.00 0.00 H new ATOM 0 HG SER A 13 4.739 6.014 3.513 1.00 0.00 H new ATOM 211 N ARG A 14 3.199 8.668 6.830 1.00 0.00 N ATOM 212 CA ARG A 14 3.000 9.642 7.885 1.00 0.00 C ATOM 213 C ARG A 14 1.705 9.358 8.631 1.00 0.00 C ATOM 214 O ARG A 14 1.499 9.848 9.738 1.00 0.00 O ATOM 215 CB ARG A 14 2.982 11.059 7.312 1.00 0.00 C ATOM 216 CG ARG A 14 3.013 12.144 8.377 1.00 0.00 C ATOM 217 CD ARG A 14 1.744 12.982 8.360 1.00 0.00 C ATOM 218 NE ARG A 14 1.851 14.155 9.224 1.00 0.00 N ATOM 219 CZ ARG A 14 2.617 15.209 8.952 1.00 0.00 C ATOM 220 NH1 ARG A 14 3.341 15.242 7.840 1.00 0.00 N ATOM 221 NH2 ARG A 14 2.660 16.232 9.793 1.00 0.00 N ATOM 0 H ARG A 14 3.140 9.046 5.885 1.00 0.00 H new ATOM 0 HA ARG A 14 3.831 9.564 8.586 1.00 0.00 H new ATOM 0 HB2 ARG A 14 3.839 11.186 6.650 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.087 11.185 6.702 1.00 0.00 H new ATOM 0 HG2 ARG A 14 3.135 11.687 9.359 1.00 0.00 H new ATOM 0 HG3 ARG A 14 3.877 12.788 8.216 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.534 13.302 7.339 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.901 12.370 8.682 1.00 0.00 H new ATOM 0 HE ARG A 14 1.307 14.167 10.087 1.00 0.00 H new ATOM 0 HH11 ARG A 14 3.312 14.457 7.189 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.926 16.052 7.636 1.00 0.00 H new ATOM 0 HH21 ARG A 14 2.106 16.212 10.649 1.00 0.00 H new ATOM 0 HH22 ARG A 14 3.247 17.040 9.584 1.00 0.00 H new ATOM 235 N LEU A 15 0.829 8.570 8.018 1.00 0.00 N ATOM 236 CA LEU A 15 -0.441 8.237 8.637 1.00 0.00 C ATOM 237 C LEU A 15 -0.312 7.080 9.615 1.00 0.00 C ATOM 238 O LEU A 15 -0.593 7.233 10.801 1.00 0.00 O ATOM 239 CB LEU A 15 -1.468 7.892 7.574 1.00 0.00 C ATOM 240 CG LEU A 15 -1.926 9.076 6.741 1.00 0.00 C ATOM 241 CD1 LEU A 15 -2.198 8.637 5.314 1.00 0.00 C ATOM 242 CD2 LEU A 15 -3.161 9.718 7.356 1.00 0.00 C ATOM 0 H LEU A 15 0.977 8.154 7.099 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.768 9.114 9.196 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.047 7.137 6.910 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.337 7.444 8.056 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.131 9.822 6.727 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.526 9.494 4.726 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.287 8.226 4.880 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.977 7.875 5.310 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.474 10.564 6.745 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.967 8.986 7.402 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.928 10.064 8.363 1.00 0.00 H new ATOM 254 N VAL A 16 0.095 5.913 9.122 1.00 0.00 N ATOM 255 CA VAL A 16 0.222 4.751 10.002 1.00 0.00 C ATOM 256 C VAL A 16 1.378 4.919 10.978 1.00 0.00 C ATOM 257 O VAL A 16 1.311 4.453 12.116 1.00 0.00 O ATOM 258 CB VAL A 16 0.390 3.425 9.218 1.00 0.00 C ATOM 259 CG1 VAL A 16 1.474 2.542 9.827 1.00 0.00 C ATOM 260 CG2 VAL A 16 -0.925 2.669 9.161 1.00 0.00 C ATOM 0 H VAL A 16 0.337 5.746 8.145 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.713 4.693 10.560 1.00 0.00 H new ATOM 0 HB VAL A 16 0.698 3.683 8.205 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.561 1.622 9.249 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.426 3.072 9.811 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.210 2.300 10.857 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.787 1.741 8.607 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.258 2.441 10.174 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.676 3.282 8.662 1.00 0.00 H new ATOM 270 N GLN A 17 2.440 5.574 10.533 1.00 0.00 N ATOM 271 CA GLN A 17 3.600 5.778 11.384 1.00 0.00 C ATOM 272 C GLN A 17 3.290 6.759 12.514 1.00 0.00 C ATOM 273 O GLN A 17 4.022 6.824 13.501 1.00 0.00 O ATOM 274 CB GLN A 17 4.796 6.259 10.561 1.00 0.00 C ATOM 275 CG GLN A 17 5.231 5.264 9.490 1.00 0.00 C ATOM 276 CD GLN A 17 6.580 4.640 9.788 1.00 0.00 C ATOM 277 OE1 GLN A 17 7.590 5.336 9.894 1.00 0.00 O ATOM 278 NE2 GLN A 17 6.603 3.319 9.927 1.00 0.00 N ATOM 0 H GLN A 17 2.522 5.970 9.596 1.00 0.00 H new ATOM 0 HA GLN A 17 3.857 4.820 11.835 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.543 7.207 10.085 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.635 6.452 11.230 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.482 4.477 9.404 1.00 0.00 H new ATOM 0 HG3 GLN A 17 5.274 5.770 8.525 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.742 2.781 9.831 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.482 2.843 10.130 1.00 0.00 H new ATOM 287 N GLN A 18 2.196 7.512 12.380 1.00 0.00 N ATOM 288 CA GLN A 18 1.812 8.467 13.417 1.00 0.00 C ATOM 289 C GLN A 18 0.358 8.911 13.257 1.00 0.00 C ATOM 290 O GLN A 18 0.072 10.103 13.146 1.00 0.00 O ATOM 291 CB GLN A 18 2.743 9.683 13.394 1.00 0.00 C ATOM 292 CG GLN A 18 2.698 10.461 12.091 1.00 0.00 C ATOM 293 CD GLN A 18 3.184 11.889 12.247 1.00 0.00 C ATOM 294 OE1 GLN A 18 2.424 12.839 12.058 1.00 0.00 O ATOM 295 NE2 GLN A 18 4.456 12.047 12.594 1.00 0.00 N ATOM 0 H GLN A 18 1.570 7.479 11.576 1.00 0.00 H new ATOM 0 HA GLN A 18 1.906 7.966 14.381 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.476 10.349 14.214 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.765 9.350 13.573 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.311 9.952 11.347 1.00 0.00 H new ATOM 0 HG3 GLN A 18 1.676 10.468 11.712 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.050 11.231 12.740 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.839 12.985 12.714 1.00 0.00 H new ATOM 304 N GLU A 19 -0.561 7.946 13.256 1.00 0.00 N ATOM 305 CA GLU A 19 -1.984 8.250 13.118 1.00 0.00 C ATOM 306 C GLU A 19 -2.825 6.975 13.060 1.00 0.00 C ATOM 307 O GLU A 19 -3.664 6.735 13.928 1.00 0.00 O ATOM 308 CB GLU A 19 -2.233 9.096 11.865 1.00 0.00 C ATOM 309 CG GLU A 19 -3.013 10.372 12.138 1.00 0.00 C ATOM 310 CD GLU A 19 -2.333 11.605 11.575 1.00 0.00 C ATOM 311 OE1 GLU A 19 -2.430 11.830 10.350 1.00 0.00 O ATOM 312 OE2 GLU A 19 -1.703 12.346 12.359 1.00 0.00 O ATOM 0 H GLU A 19 -0.347 6.953 13.349 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.286 8.817 13.999 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.275 9.355 11.415 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.776 8.497 11.134 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.010 10.283 11.707 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.141 10.492 13.214 1.00 0.00 H new ATOM 319 N SER A 20 -2.605 6.167 12.027 1.00 0.00 N ATOM 320 CA SER A 20 -3.355 4.926 11.852 1.00 0.00 C ATOM 321 C SER A 20 -2.815 3.817 12.754 1.00 0.00 C ATOM 322 O SER A 20 -3.377 3.537 13.812 1.00 0.00 O ATOM 323 CB SER A 20 -3.310 4.482 10.385 1.00 0.00 C ATOM 324 OG SER A 20 -4.581 4.610 9.778 1.00 0.00 O ATOM 0 H SER A 20 -1.914 6.349 11.299 1.00 0.00 H new ATOM 0 HA SER A 20 -4.390 5.117 12.137 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.581 5.083 9.841 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.977 3.446 10.325 1.00 0.00 H new ATOM 0 HG SER A 20 -4.539 4.278 8.857 1.00 0.00 H new ATOM 330 N GLY A 21 -1.730 3.187 12.322 1.00 0.00 N ATOM 331 CA GLY A 21 -1.134 2.112 13.090 1.00 0.00 C ATOM 332 C GLY A 21 -1.245 0.768 12.391 1.00 0.00 C ATOM 333 O GLY A 21 -0.511 -0.164 12.718 1.00 0.00 O ATOM 0 H GLY A 21 -1.250 3.403 11.448 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.083 2.338 13.271 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.620 2.053 14.064 1.00 0.00 H new ATOM 337 N ASP A 22 -2.164 0.673 11.424 1.00 0.00 N ATOM 338 CA ASP A 22 -2.381 -0.564 10.666 1.00 0.00 C ATOM 339 C ASP A 22 -3.687 -0.509 9.870 1.00 0.00 C ATOM 340 O ASP A 22 -3.916 -1.332 8.985 1.00 0.00 O ATOM 341 CB ASP A 22 -2.424 -1.769 11.604 1.00 0.00 C ATOM 342 CG ASP A 22 -3.564 -1.689 12.601 1.00 0.00 C ATOM 343 OD1 ASP A 22 -3.875 -0.569 13.058 1.00 0.00 O ATOM 344 OD2 ASP A 22 -4.145 -2.746 12.925 1.00 0.00 O ATOM 0 H ASP A 22 -2.773 1.443 11.147 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.547 -0.667 9.972 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.524 -2.681 11.015 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.479 -1.840 12.143 1.00 0.00 H new ATOM 349 N CYS A 23 -4.541 0.455 10.213 1.00 0.00 N ATOM 350 CA CYS A 23 -5.846 0.647 9.565 1.00 0.00 C ATOM 351 C CYS A 23 -5.780 0.487 8.043 1.00 0.00 C ATOM 352 O CYS A 23 -4.816 -0.041 7.495 1.00 0.00 O ATOM 353 CB CYS A 23 -6.388 2.034 9.918 1.00 0.00 C ATOM 354 SG CYS A 23 -6.482 2.362 11.693 1.00 0.00 S ATOM 0 H CYS A 23 -4.349 1.131 10.952 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.514 -0.130 9.938 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.754 2.789 9.453 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -7.383 2.144 9.486 1.00 0.00 H new ATOM 0 HG CYS A 23 -6.949 3.559 11.889 1.00 0.00 H new ATOM 360 N THR A 24 -6.826 0.947 7.362 1.00 0.00 N ATOM 361 CA THR A 24 -6.893 0.844 5.913 1.00 0.00 C ATOM 362 C THR A 24 -6.603 2.189 5.262 1.00 0.00 C ATOM 363 O THR A 24 -6.653 3.230 5.918 1.00 0.00 O ATOM 364 CB THR A 24 -8.272 0.337 5.488 1.00 0.00 C ATOM 365 OG1 THR A 24 -8.626 -0.819 6.224 1.00 0.00 O ATOM 366 CG2 THR A 24 -8.366 -0.010 4.018 1.00 0.00 C ATOM 0 H THR A 24 -7.636 1.393 7.792 1.00 0.00 H new ATOM 0 HA THR A 24 -6.135 0.134 5.582 1.00 0.00 H new ATOM 0 HB THR A 24 -8.954 1.163 5.689 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.223 -1.609 5.807 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.372 -0.362 3.791 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.148 0.875 3.421 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.646 -0.793 3.782 1.00 0.00 H new ATOM 374 N GLY A 25 -6.273 2.160 3.975 1.00 0.00 N ATOM 375 CA GLY A 25 -5.951 3.381 3.273 1.00 0.00 C ATOM 376 C GLY A 25 -7.040 3.857 2.342 1.00 0.00 C ATOM 377 O GLY A 25 -7.615 3.079 1.581 1.00 0.00 O ATOM 0 H GLY A 25 -6.224 1.313 3.409 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.742 4.164 4.002 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.037 3.228 2.699 1.00 0.00 H new ATOM 381 N LYS A 26 -7.299 5.156 2.397 1.00 0.00 N ATOM 382 CA LYS A 26 -8.299 5.782 1.552 1.00 0.00 C ATOM 383 C LYS A 26 -7.601 6.559 0.445 1.00 0.00 C ATOM 384 O LYS A 26 -6.821 7.469 0.719 1.00 0.00 O ATOM 385 CB LYS A 26 -9.183 6.712 2.390 1.00 0.00 C ATOM 386 CG LYS A 26 -10.400 7.259 1.654 1.00 0.00 C ATOM 387 CD LYS A 26 -10.024 8.275 0.579 1.00 0.00 C ATOM 388 CE LYS A 26 -9.097 9.359 1.115 1.00 0.00 C ATOM 389 NZ LYS A 26 -9.764 10.201 2.146 1.00 0.00 N ATOM 0 H LYS A 26 -6.822 5.801 3.027 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.935 5.018 1.105 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.521 6.172 3.274 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.579 7.549 2.740 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.944 6.434 1.195 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -11.075 7.726 2.371 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.539 7.761 -0.251 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.929 8.736 0.183 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.208 8.897 1.544 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.763 9.990 0.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.111 10.947 2.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.617 10.636 1.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.030 9.609 2.959 1.00 0.00 H new ATOM 403 N LEU A 27 -7.866 6.186 -0.803 1.00 0.00 N ATOM 404 CA LEU A 27 -7.236 6.843 -1.942 1.00 0.00 C ATOM 405 C LEU A 27 -8.202 7.782 -2.655 1.00 0.00 C ATOM 406 O LEU A 27 -9.408 7.722 -2.434 1.00 0.00 O ATOM 407 CB LEU A 27 -6.704 5.799 -2.926 1.00 0.00 C ATOM 408 CG LEU A 27 -5.564 6.281 -3.826 1.00 0.00 C ATOM 409 CD1 LEU A 27 -4.521 5.188 -4.001 1.00 0.00 C ATOM 410 CD2 LEU A 27 -6.104 6.726 -5.177 1.00 0.00 C ATOM 0 H LEU A 27 -8.510 5.435 -1.050 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.407 7.440 -1.561 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.360 4.932 -2.362 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.527 5.463 -3.556 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.086 7.136 -3.347 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.719 5.550 -4.644 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.112 4.917 -3.028 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.984 4.313 -4.457 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.280 7.066 -5.804 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.608 5.889 -5.661 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.812 7.542 -5.035 1.00 0.00 H new ATOM 422 N ARG A 28 -7.632 8.645 -3.505 1.00 0.00 N ATOM 423 CA ARG A 28 -8.365 9.644 -4.299 1.00 0.00 C ATOM 424 C ARG A 28 -7.575 10.949 -4.330 1.00 0.00 C ATOM 425 O ARG A 28 -8.070 12.004 -3.933 1.00 0.00 O ATOM 426 CB ARG A 28 -9.785 9.906 -3.764 1.00 0.00 C ATOM 427 CG ARG A 28 -10.880 9.175 -4.537 1.00 0.00 C ATOM 428 CD ARG A 28 -10.524 7.716 -4.797 1.00 0.00 C ATOM 429 NE ARG A 28 -11.223 7.173 -5.958 1.00 0.00 N ATOM 430 CZ ARG A 28 -11.049 7.604 -7.206 1.00 0.00 C ATOM 431 NH1 ARG A 28 -10.197 8.588 -7.466 1.00 0.00 N ATOM 432 NH2 ARG A 28 -11.728 7.047 -8.200 1.00 0.00 N ATOM 0 H ARG A 28 -6.625 8.670 -3.665 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.474 9.241 -5.306 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.830 9.605 -2.717 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.984 10.977 -3.797 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.814 9.225 -3.977 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.051 9.681 -5.487 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -9.448 7.629 -4.950 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -10.770 7.122 -3.917 1.00 0.00 H new ATOM 0 HE ARG A 28 -11.887 6.415 -5.803 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.670 9.020 -6.707 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.070 8.912 -8.425 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -12.383 6.289 -8.008 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -11.595 7.377 -9.156 1.00 0.00 H new ATOM 446 N GLY A 29 -6.329 10.860 -4.786 1.00 0.00 N ATOM 447 CA GLY A 29 -5.470 12.030 -4.841 1.00 0.00 C ATOM 448 C GLY A 29 -4.706 12.229 -3.544 1.00 0.00 C ATOM 449 O GLY A 29 -3.865 13.122 -3.437 1.00 0.00 O ATOM 0 H GLY A 29 -5.898 9.997 -5.119 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.765 11.925 -5.666 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.073 12.914 -5.047 1.00 0.00 H new ATOM 453 N ASN A 30 -5.012 11.390 -2.557 1.00 0.00 N ATOM 454 CA ASN A 30 -4.374 11.444 -1.248 1.00 0.00 C ATOM 455 C ASN A 30 -4.679 10.157 -0.487 1.00 0.00 C ATOM 456 O ASN A 30 -5.585 9.412 -0.863 1.00 0.00 O ATOM 457 CB ASN A 30 -4.872 12.674 -0.467 1.00 0.00 C ATOM 458 CG ASN A 30 -5.470 12.332 0.888 1.00 0.00 C ATOM 459 OD1 ASN A 30 -6.554 11.563 0.884 1.00 0.00 O flip ATOM 460 ND2 ASN A 30 -4.962 12.754 1.927 1.00 0.00 N flip ATOM 0 H ASN A 30 -5.711 10.653 -2.645 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.295 11.536 -1.369 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.041 13.365 -0.324 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.620 13.195 -1.064 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.130 13.342 1.885 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.374 12.516 2.829 1.00 0.00 H new ATOM 467 N VAL A 31 -3.947 9.903 0.589 1.00 0.00 N ATOM 468 CA VAL A 31 -4.189 8.710 1.386 1.00 0.00 C ATOM 469 C VAL A 31 -4.731 9.076 2.762 1.00 0.00 C ATOM 470 O VAL A 31 -4.257 10.011 3.407 1.00 0.00 O ATOM 471 CB VAL A 31 -2.930 7.836 1.533 1.00 0.00 C ATOM 472 CG1 VAL A 31 -1.757 8.653 2.039 1.00 0.00 C ATOM 473 CG2 VAL A 31 -3.199 6.650 2.449 1.00 0.00 C ATOM 0 H VAL A 31 -3.191 10.498 0.926 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.936 8.124 0.850 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.671 7.451 0.547 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.881 8.012 2.134 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.543 9.457 1.335 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.003 9.078 3.012 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.296 6.047 2.538 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.493 7.011 3.435 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.001 6.042 2.031 1.00 0.00 H new ATOM 483 N ALA A 32 -5.736 8.328 3.190 1.00 0.00 N ATOM 484 CA ALA A 32 -6.381 8.547 4.482 1.00 0.00 C ATOM 485 C ALA A 32 -6.460 7.247 5.269 1.00 0.00 C ATOM 486 O ALA A 32 -6.210 6.171 4.729 1.00 0.00 O ATOM 487 CB ALA A 32 -7.764 9.153 4.303 1.00 0.00 C ATOM 0 H ALA A 32 -6.129 7.553 2.656 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.774 9.254 5.048 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -8.223 9.306 5.280 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.678 10.110 3.788 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -8.383 8.478 3.713 1.00 0.00 H new ATOM 493 N ALA A 33 -6.785 7.350 6.552 1.00 0.00 N ATOM 494 CA ALA A 33 -6.864 6.175 7.408 1.00 0.00 C ATOM 495 C ALA A 33 -8.310 5.756 7.654 1.00 0.00 C ATOM 496 O ALA A 33 -9.119 6.527 8.170 1.00 0.00 O ATOM 497 CB ALA A 33 -6.169 6.453 8.730 1.00 0.00 C ATOM 0 H ALA A 33 -6.997 8.231 7.020 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.362 5.352 6.898 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.231 5.570 9.366 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.122 6.695 8.547 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.654 7.293 9.227 1.00 0.00 H new ATOM 503 N ASN A 34 -8.617 4.519 7.272 1.00 0.00 N ATOM 504 CA ASN A 34 -9.958 3.964 7.435 1.00 0.00 C ATOM 505 C ASN A 34 -9.989 2.968 8.594 1.00 0.00 C ATOM 506 O ASN A 34 -9.337 1.926 8.547 1.00 0.00 O ATOM 507 CB ASN A 34 -10.402 3.286 6.130 1.00 0.00 C ATOM 508 CG ASN A 34 -11.428 2.184 6.343 1.00 0.00 C ATOM 509 OD1 ASN A 34 -12.289 2.283 7.217 1.00 0.00 O ATOM 510 ND2 ASN A 34 -11.338 1.126 5.542 1.00 0.00 N ATOM 0 H ASN A 34 -7.949 3.878 6.844 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.650 4.774 7.665 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -10.821 4.039 5.462 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -9.528 2.868 5.631 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -11.999 0.355 5.639 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.608 1.086 4.831 1.00 0.00 H new ATOM 517 N LYS A 35 -10.751 3.299 9.630 1.00 0.00 N ATOM 518 CA LYS A 35 -10.866 2.438 10.802 1.00 0.00 C ATOM 519 C LYS A 35 -12.100 1.544 10.717 1.00 0.00 C ATOM 520 O LYS A 35 -12.143 0.472 11.322 1.00 0.00 O ATOM 521 CB LYS A 35 -10.936 3.286 12.071 1.00 0.00 C ATOM 522 CG LYS A 35 -9.867 2.942 13.095 1.00 0.00 C ATOM 523 CD LYS A 35 -10.357 1.895 14.082 1.00 0.00 C ATOM 524 CE LYS A 35 -9.227 0.983 14.530 1.00 0.00 C ATOM 525 NZ LYS A 35 -8.503 1.533 15.709 1.00 0.00 N ATOM 0 H LYS A 35 -11.299 4.158 9.683 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.982 1.801 10.834 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -10.842 4.338 11.800 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.918 3.161 12.528 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.977 2.574 12.584 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.575 3.843 13.634 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.795 2.388 14.950 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.146 1.300 13.622 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.630 0.001 14.777 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.526 0.842 13.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.740 0.881 15.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.097 2.459 15.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.166 1.643 16.503 1.00 0.00 H new ATOM 539 N GLU A 36 -13.106 1.998 9.974 1.00 0.00 N ATOM 540 CA GLU A 36 -14.352 1.251 9.818 1.00 0.00 C ATOM 541 C GLU A 36 -14.094 -0.241 9.600 1.00 0.00 C ATOM 542 O GLU A 36 -14.165 -1.031 10.540 1.00 0.00 O ATOM 543 CB GLU A 36 -15.166 1.820 8.653 1.00 0.00 C ATOM 544 CG GLU A 36 -16.194 2.856 9.077 1.00 0.00 C ATOM 545 CD GLU A 36 -17.367 2.244 9.818 1.00 0.00 C ATOM 546 OE1 GLU A 36 -18.149 1.505 9.184 1.00 0.00 O ATOM 547 OE2 GLU A 36 -17.503 2.504 11.032 1.00 0.00 O ATOM 0 H GLU A 36 -13.083 2.883 9.468 1.00 0.00 H new ATOM 0 HA GLU A 36 -14.920 1.358 10.742 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -14.485 2.271 7.931 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -15.676 1.002 8.143 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -15.714 3.599 9.714 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -16.560 3.381 8.195 1.00 0.00 H new ATOM 554 N THR A 37 -13.795 -0.615 8.357 1.00 0.00 N ATOM 555 CA THR A 37 -13.529 -2.014 8.012 1.00 0.00 C ATOM 556 C THR A 37 -13.409 -2.190 6.500 1.00 0.00 C ATOM 557 O THR A 37 -13.329 -1.214 5.755 1.00 0.00 O ATOM 558 CB THR A 37 -14.640 -2.922 8.554 1.00 0.00 C ATOM 559 OG1 THR A 37 -14.404 -4.275 8.204 1.00 0.00 O ATOM 560 CG2 THR A 37 -16.017 -2.551 8.046 1.00 0.00 C ATOM 0 H THR A 37 -13.730 0.031 7.570 1.00 0.00 H new ATOM 0 HA THR A 37 -12.582 -2.297 8.471 1.00 0.00 H new ATOM 0 HB THR A 37 -14.618 -2.786 9.635 1.00 0.00 H new ATOM 0 HG1 THR A 37 -15.124 -4.836 8.561 1.00 0.00 H new ATOM 0 HG21 THR A 37 -16.756 -3.232 8.467 1.00 0.00 H new ATOM 0 HG22 THR A 37 -16.252 -1.530 8.346 1.00 0.00 H new ATOM 0 HG23 THR A 37 -16.035 -2.623 6.959 1.00 0.00 H new ATOM 568 N THR A 38 -13.399 -3.445 6.058 1.00 0.00 N ATOM 569 CA THR A 38 -13.291 -3.765 4.637 1.00 0.00 C ATOM 570 C THR A 38 -11.965 -3.275 4.067 1.00 0.00 C ATOM 571 O THR A 38 -11.667 -2.082 4.110 1.00 0.00 O ATOM 572 CB THR A 38 -14.456 -3.151 3.858 1.00 0.00 C ATOM 573 OG1 THR A 38 -14.192 -1.797 3.536 1.00 0.00 O ATOM 574 CG2 THR A 38 -15.774 -3.199 4.602 1.00 0.00 C ATOM 0 H THR A 38 -13.465 -4.261 6.667 1.00 0.00 H new ATOM 0 HA THR A 38 -13.331 -4.849 4.534 1.00 0.00 H new ATOM 0 HB THR A 38 -14.546 -3.760 2.958 1.00 0.00 H new ATOM 0 HG1 THR A 38 -13.426 -1.480 4.058 1.00 0.00 H new ATOM 0 HG21 THR A 38 -16.554 -2.746 3.990 1.00 0.00 H new ATOM 0 HG22 THR A 38 -16.035 -4.236 4.814 1.00 0.00 H new ATOM 0 HG23 THR A 38 -15.683 -2.649 5.539 1.00 0.00 H new ATOM 582 N PHE A 39 -11.178 -4.209 3.528 1.00 0.00 N ATOM 583 CA PHE A 39 -9.875 -3.885 2.941 1.00 0.00 C ATOM 584 C PHE A 39 -9.064 -5.143 2.638 1.00 0.00 C ATOM 585 O PHE A 39 -8.256 -5.167 1.715 1.00 0.00 O ATOM 586 CB PHE A 39 -9.072 -2.996 3.875 1.00 0.00 C ATOM 587 CG PHE A 39 -8.603 -3.698 5.124 1.00 0.00 C ATOM 588 CD1 PHE A 39 -7.559 -4.608 5.081 1.00 0.00 C ATOM 589 CD2 PHE A 39 -9.218 -3.450 6.342 1.00 0.00 C ATOM 590 CE1 PHE A 39 -7.135 -5.255 6.227 1.00 0.00 C ATOM 591 CE2 PHE A 39 -8.799 -4.094 7.490 1.00 0.00 C ATOM 592 CZ PHE A 39 -7.756 -4.997 7.433 1.00 0.00 C ATOM 0 H PHE A 39 -11.421 -5.199 3.486 1.00 0.00 H new ATOM 0 HA PHE A 39 -10.070 -3.359 2.006 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -8.205 -2.609 3.339 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -9.681 -2.137 4.158 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -7.070 -4.815 4.140 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -10.034 -2.745 6.394 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.319 -5.961 6.179 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -9.287 -3.891 8.432 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.427 -5.500 8.330 1.00 0.00 H new ATOM 602 N GLN A 40 -9.265 -6.161 3.453 1.00 0.00 N ATOM 603 CA GLN A 40 -8.543 -7.431 3.314 1.00 0.00 C ATOM 604 C GLN A 40 -8.685 -8.035 1.914 1.00 0.00 C ATOM 605 O GLN A 40 -9.298 -9.088 1.739 1.00 0.00 O ATOM 606 CB GLN A 40 -8.990 -8.456 4.371 1.00 0.00 C ATOM 607 CG GLN A 40 -10.418 -8.284 4.879 1.00 0.00 C ATOM 608 CD GLN A 40 -11.438 -8.144 3.765 1.00 0.00 C ATOM 609 OE1 GLN A 40 -12.341 -7.181 3.909 1.00 0.00 O flip ATOM 610 NE2 GLN A 40 -11.423 -8.897 2.793 1.00 0.00 N flip ATOM 0 H GLN A 40 -9.927 -6.141 4.229 1.00 0.00 H new ATOM 0 HA GLN A 40 -7.491 -7.196 3.473 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -8.889 -9.456 3.949 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -8.310 -8.398 5.221 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -10.682 -9.141 5.498 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -10.465 -7.403 5.518 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -10.711 -9.624 2.722 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -12.123 -8.795 2.058 1.00 0.00 H new ATOM 619 N GLY A 41 -8.090 -7.368 0.927 1.00 0.00 N ATOM 620 CA GLY A 41 -8.125 -7.838 -0.454 1.00 0.00 C ATOM 621 C GLY A 41 -9.435 -8.499 -0.838 1.00 0.00 C ATOM 622 O GLY A 41 -9.577 -9.719 -0.753 1.00 0.00 O ATOM 0 H GLY A 41 -7.576 -6.497 1.060 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.944 -6.995 -1.121 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.311 -8.547 -0.608 1.00 0.00 H new ATOM 626 N LEU A 42 -10.383 -7.686 -1.277 1.00 0.00 N ATOM 627 CA LEU A 42 -11.686 -8.167 -1.700 1.00 0.00 C ATOM 628 C LEU A 42 -12.133 -7.354 -2.916 1.00 0.00 C ATOM 629 O LEU A 42 -11.480 -6.375 -3.278 1.00 0.00 O ATOM 630 CB LEU A 42 -12.670 -8.094 -0.523 1.00 0.00 C ATOM 631 CG LEU A 42 -14.111 -7.697 -0.839 1.00 0.00 C ATOM 632 CD1 LEU A 42 -14.916 -8.918 -1.252 1.00 0.00 C ATOM 633 CD2 LEU A 42 -14.740 -7.026 0.372 1.00 0.00 C ATOM 0 H LEU A 42 -10.270 -6.675 -1.350 1.00 0.00 H new ATOM 0 HA LEU A 42 -11.645 -9.214 -2.002 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -12.688 -9.069 -0.037 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -12.276 -7.383 0.203 1.00 0.00 H new ATOM 0 HG LEU A 42 -14.111 -6.991 -1.669 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -15.941 -8.620 -1.474 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -14.468 -9.366 -2.139 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -14.917 -9.645 -0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -15.767 -6.745 0.140 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -14.734 -7.717 1.215 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -14.170 -6.134 0.631 1.00 0.00 H new ATOM 645 N THR A 43 -13.205 -7.773 -3.576 1.00 0.00 N ATOM 646 CA THR A 43 -13.662 -7.078 -4.775 1.00 0.00 C ATOM 647 C THR A 43 -14.880 -6.196 -4.528 1.00 0.00 C ATOM 648 O THR A 43 -15.792 -6.144 -5.354 1.00 0.00 O ATOM 649 CB THR A 43 -13.977 -8.091 -5.868 1.00 0.00 C ATOM 650 OG1 THR A 43 -13.144 -9.231 -5.757 1.00 0.00 O ATOM 651 CG2 THR A 43 -13.803 -7.523 -7.253 1.00 0.00 C ATOM 0 H THR A 43 -13.769 -8.580 -3.307 1.00 0.00 H new ATOM 0 HA THR A 43 -12.851 -6.420 -5.086 1.00 0.00 H new ATOM 0 HB THR A 43 -15.023 -8.363 -5.727 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.365 -9.868 -6.468 1.00 0.00 H new ATOM 0 HG21 THR A 43 -14.041 -8.288 -7.992 1.00 0.00 H new ATOM 0 HG22 THR A 43 -14.471 -6.672 -7.384 1.00 0.00 H new ATOM 0 HG23 THR A 43 -12.771 -7.198 -7.386 1.00 0.00 H new ATOM 659 N ILE A 44 -14.892 -5.488 -3.406 1.00 0.00 N ATOM 660 CA ILE A 44 -16.003 -4.594 -3.083 1.00 0.00 C ATOM 661 C ILE A 44 -17.364 -5.302 -3.140 1.00 0.00 C ATOM 662 O ILE A 44 -18.405 -4.662 -2.990 1.00 0.00 O ATOM 663 CB ILE A 44 -16.034 -3.399 -4.053 1.00 0.00 C ATOM 664 CG1 ILE A 44 -14.652 -2.746 -4.138 1.00 0.00 C ATOM 665 CG2 ILE A 44 -17.084 -2.383 -3.625 1.00 0.00 C ATOM 666 CD1 ILE A 44 -13.682 -3.495 -5.026 1.00 0.00 C ATOM 0 H ILE A 44 -14.151 -5.513 -2.706 1.00 0.00 H new ATOM 0 HA ILE A 44 -15.834 -4.253 -2.062 1.00 0.00 H new ATOM 0 HB ILE A 44 -16.304 -3.767 -5.043 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -14.763 -1.728 -4.512 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -14.231 -2.673 -3.135 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -17.088 -1.547 -4.325 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -18.066 -2.856 -3.618 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -16.850 -2.018 -2.625 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -12.724 -2.975 -5.039 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -13.541 -4.505 -4.641 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -14.081 -3.545 -6.039 1.00 0.00 H new ATOM 678 N ALA A 45 -17.358 -6.613 -3.360 1.00 0.00 N ATOM 679 CA ALA A 45 -18.596 -7.377 -3.436 1.00 0.00 C ATOM 680 C ALA A 45 -19.200 -7.568 -2.053 1.00 0.00 C ATOM 681 O ALA A 45 -20.413 -7.456 -1.871 1.00 0.00 O ATOM 682 CB ALA A 45 -18.348 -8.724 -4.098 1.00 0.00 C ATOM 0 H ALA A 45 -16.511 -7.167 -3.488 1.00 0.00 H new ATOM 0 HA ALA A 45 -19.306 -6.816 -4.043 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -19.283 -9.283 -4.147 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -17.965 -8.569 -5.106 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -17.619 -9.287 -3.515 1.00 0.00 H new ATOM 688 N SER A 46 -18.345 -7.849 -1.078 1.00 0.00 N ATOM 689 CA SER A 46 -18.797 -8.048 0.295 1.00 0.00 C ATOM 690 C SER A 46 -19.214 -6.720 0.917 1.00 0.00 C ATOM 691 O SER A 46 -20.122 -6.669 1.746 1.00 0.00 O ATOM 692 CB SER A 46 -17.697 -8.696 1.137 1.00 0.00 C ATOM 693 OG SER A 46 -18.248 -9.552 2.122 1.00 0.00 O ATOM 0 H SER A 46 -17.338 -7.944 -1.210 1.00 0.00 H new ATOM 0 HA SER A 46 -19.659 -8.714 0.275 1.00 0.00 H new ATOM 0 HB2 SER A 46 -17.027 -9.263 0.491 1.00 0.00 H new ATOM 0 HB3 SER A 46 -17.098 -7.922 1.617 1.00 0.00 H new ATOM 0 HG SER A 46 -17.525 -9.956 2.646 1.00 0.00 H new ATOM 699 N GLY A 47 -18.549 -5.646 0.503 1.00 0.00 N ATOM 700 CA GLY A 47 -18.872 -4.330 1.024 1.00 0.00 C ATOM 701 C GLY A 47 -17.653 -3.446 1.227 1.00 0.00 C ATOM 702 O GLY A 47 -17.619 -2.642 2.159 1.00 0.00 O ATOM 0 H GLY A 47 -17.794 -5.663 -0.182 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -19.561 -3.835 0.339 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -19.393 -4.442 1.975 1.00 0.00 H new ATOM 706 N ALA A 48 -16.653 -3.582 0.358 1.00 0.00 N ATOM 707 CA ALA A 48 -15.444 -2.772 0.465 1.00 0.00 C ATOM 708 C ALA A 48 -15.617 -1.434 -0.244 1.00 0.00 C ATOM 709 O ALA A 48 -16.353 -1.330 -1.224 1.00 0.00 O ATOM 710 CB ALA A 48 -14.248 -3.518 -0.105 1.00 0.00 C ATOM 0 H ALA A 48 -16.656 -4.240 -0.421 1.00 0.00 H new ATOM 0 HA ALA A 48 -15.264 -2.578 1.522 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -13.356 -2.898 -0.016 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -14.101 -4.446 0.447 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -14.428 -3.746 -1.156 1.00 0.00 H new ATOM 716 N ARG A 49 -14.932 -0.412 0.256 1.00 0.00 N ATOM 717 CA ARG A 49 -15.010 0.919 -0.333 1.00 0.00 C ATOM 718 C ARG A 49 -14.090 1.028 -1.546 1.00 0.00 C ATOM 719 O ARG A 49 -13.156 0.241 -1.700 1.00 0.00 O ATOM 720 CB ARG A 49 -14.638 1.982 0.702 1.00 0.00 C ATOM 721 CG ARG A 49 -15.822 2.482 1.514 1.00 0.00 C ATOM 722 CD ARG A 49 -15.430 3.639 2.422 1.00 0.00 C ATOM 723 NE ARG A 49 -15.464 3.263 3.833 1.00 0.00 N ATOM 724 CZ ARG A 49 -14.971 4.017 4.814 1.00 0.00 C ATOM 725 NH1 ARG A 49 -14.405 5.186 4.541 1.00 0.00 N ATOM 726 NH2 ARG A 49 -15.044 3.600 6.070 1.00 0.00 N ATOM 0 H ARG A 49 -14.317 -0.480 1.067 1.00 0.00 H new ATOM 0 HA ARG A 49 -16.036 1.086 -0.659 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -13.891 1.571 1.381 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -14.175 2.827 0.192 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -16.617 2.801 0.840 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -16.222 1.666 2.116 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -14.428 3.981 2.162 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -16.106 4.477 2.254 1.00 0.00 H new ATOM 0 HE ARG A 49 -15.890 2.370 4.082 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -14.346 5.511 3.576 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.029 5.759 5.296 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -15.478 2.702 6.285 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.667 4.177 6.822 1.00 0.00 H new ATOM 740 N GLU A 50 -14.359 2.006 -2.403 1.00 0.00 N ATOM 741 CA GLU A 50 -13.550 2.215 -3.600 1.00 0.00 C ATOM 742 C GLU A 50 -12.140 2.675 -3.233 1.00 0.00 C ATOM 743 O GLU A 50 -11.205 2.543 -4.024 1.00 0.00 O ATOM 744 CB GLU A 50 -14.214 3.248 -4.513 1.00 0.00 C ATOM 745 CG GLU A 50 -14.147 2.888 -5.988 1.00 0.00 C ATOM 746 CD GLU A 50 -15.013 1.693 -6.337 1.00 0.00 C ATOM 747 OE1 GLU A 50 -15.249 0.850 -5.446 1.00 0.00 O ATOM 748 OE2 GLU A 50 -15.456 1.601 -7.502 1.00 0.00 O ATOM 0 H GLU A 50 -15.129 2.666 -2.293 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.476 1.265 -4.129 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -15.258 3.360 -4.222 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -13.735 4.216 -4.362 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -14.462 3.746 -6.582 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -13.113 2.674 -6.259 1.00 0.00 H new ATOM 755 N SER A 51 -11.997 3.223 -2.032 1.00 0.00 N ATOM 756 CA SER A 51 -10.708 3.711 -1.563 1.00 0.00 C ATOM 757 C SER A 51 -9.674 2.583 -1.498 1.00 0.00 C ATOM 758 O SER A 51 -8.684 2.599 -2.229 1.00 0.00 O ATOM 759 CB SER A 51 -10.872 4.380 -0.196 1.00 0.00 C ATOM 760 OG SER A 51 -10.506 3.510 0.863 1.00 0.00 O ATOM 0 H SER A 51 -12.760 3.340 -1.365 1.00 0.00 H new ATOM 0 HA SER A 51 -10.339 4.449 -2.276 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.258 5.280 -0.156 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.908 4.694 -0.067 1.00 0.00 H new ATOM 0 HG SER A 51 -10.637 3.965 1.721 1.00 0.00 H new ATOM 766 N GLU A 52 -9.905 1.608 -0.619 1.00 0.00 N ATOM 767 CA GLU A 52 -8.981 0.480 -0.468 1.00 0.00 C ATOM 768 C GLU A 52 -8.635 -0.124 -1.828 1.00 0.00 C ATOM 769 O GLU A 52 -7.489 -0.061 -2.277 1.00 0.00 O ATOM 770 CB GLU A 52 -9.574 -0.605 0.450 1.00 0.00 C ATOM 771 CG GLU A 52 -11.087 -0.545 0.609 1.00 0.00 C ATOM 772 CD GLU A 52 -11.514 0.256 1.824 1.00 0.00 C ATOM 773 OE1 GLU A 52 -10.756 1.160 2.235 1.00 0.00 O ATOM 774 OE2 GLU A 52 -12.605 -0.020 2.364 1.00 0.00 O ATOM 0 H GLU A 52 -10.718 1.574 -0.004 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.069 0.862 -0.009 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.302 -1.584 0.056 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.115 -0.519 1.435 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -11.525 -0.103 -0.286 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -11.481 -1.558 0.690 1.00 0.00 H new ATOM 781 N LYS A 53 -9.637 -0.705 -2.475 1.00 0.00 N ATOM 782 CA LYS A 53 -9.460 -1.327 -3.793 1.00 0.00 C ATOM 783 C LYS A 53 -8.615 -0.458 -4.732 1.00 0.00 C ATOM 784 O LYS A 53 -7.639 -0.937 -5.318 1.00 0.00 O ATOM 785 CB LYS A 53 -10.820 -1.640 -4.430 1.00 0.00 C ATOM 786 CG LYS A 53 -11.748 -0.438 -4.532 1.00 0.00 C ATOM 787 CD LYS A 53 -12.270 -0.225 -5.949 1.00 0.00 C ATOM 788 CE LYS A 53 -11.160 -0.283 -6.990 1.00 0.00 C ATOM 789 NZ LYS A 53 -11.515 0.470 -8.225 1.00 0.00 N ATOM 0 H LYS A 53 -10.588 -0.762 -2.111 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.919 -2.260 -3.639 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.657 -2.046 -5.428 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -11.313 -2.418 -3.846 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.591 -0.574 -3.854 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.217 0.456 -4.205 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.018 -0.985 -6.176 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.770 0.742 -6.008 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.243 0.127 -6.566 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.956 -1.323 -7.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.681 0.535 -8.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.280 -0.026 -8.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.832 1.427 -7.969 1.00 0.00 H new ATOM 803 N VAL A 54 -8.977 0.816 -4.871 1.00 0.00 N ATOM 804 CA VAL A 54 -8.228 1.717 -5.738 1.00 0.00 C ATOM 805 C VAL A 54 -6.790 1.843 -5.251 1.00 0.00 C ATOM 806 O VAL A 54 -5.865 2.033 -6.042 1.00 0.00 O ATOM 807 CB VAL A 54 -8.880 3.116 -5.805 1.00 0.00 C ATOM 808 CG1 VAL A 54 -7.971 4.111 -6.515 1.00 0.00 C ATOM 809 CG2 VAL A 54 -10.232 3.037 -6.498 1.00 0.00 C ATOM 0 H VAL A 54 -9.775 1.242 -4.400 1.00 0.00 H new ATOM 0 HA VAL A 54 -8.237 1.291 -6.741 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.031 3.469 -4.785 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.455 5.087 -6.548 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.028 4.192 -5.975 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.779 3.767 -7.531 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -10.679 4.030 -6.538 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -10.100 2.658 -7.511 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -10.887 2.366 -5.942 1.00 0.00 H new ATOM 819 N PHE A 55 -6.613 1.726 -3.941 1.00 0.00 N ATOM 820 CA PHE A 55 -5.291 1.818 -3.341 1.00 0.00 C ATOM 821 C PHE A 55 -4.423 0.637 -3.769 1.00 0.00 C ATOM 822 O PHE A 55 -3.281 0.819 -4.191 1.00 0.00 O ATOM 823 CB PHE A 55 -5.405 1.869 -1.817 1.00 0.00 C ATOM 824 CG PHE A 55 -4.321 2.671 -1.148 1.00 0.00 C ATOM 825 CD1 PHE A 55 -3.115 2.918 -1.789 1.00 0.00 C ATOM 826 CD2 PHE A 55 -4.510 3.179 0.127 1.00 0.00 C ATOM 827 CE1 PHE A 55 -2.123 3.655 -1.171 1.00 0.00 C ATOM 828 CE2 PHE A 55 -3.522 3.916 0.750 1.00 0.00 C ATOM 829 CZ PHE A 55 -2.327 4.155 0.100 1.00 0.00 C ATOM 0 H PHE A 55 -7.369 1.567 -3.275 1.00 0.00 H new ATOM 0 HA PHE A 55 -4.817 2.736 -3.688 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -6.373 2.292 -1.549 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -5.383 0.851 -1.427 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.950 2.529 -2.783 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.442 2.996 0.641 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.189 3.840 -1.681 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.684 4.305 1.744 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.553 4.732 0.585 1.00 0.00 H new ATOM 839 N ALA A 56 -4.972 -0.574 -3.673 1.00 0.00 N ATOM 840 CA ALA A 56 -4.236 -1.771 -4.069 1.00 0.00 C ATOM 841 C ALA A 56 -3.861 -1.694 -5.541 1.00 0.00 C ATOM 842 O ALA A 56 -2.721 -1.968 -5.920 1.00 0.00 O ATOM 843 CB ALA A 56 -5.052 -3.028 -3.796 1.00 0.00 C ATOM 0 H ALA A 56 -5.915 -0.750 -3.327 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.324 -1.823 -3.474 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.481 -3.905 -4.100 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.276 -3.092 -2.731 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.983 -2.987 -4.361 1.00 0.00 H new ATOM 849 N GLN A 57 -4.830 -1.306 -6.368 1.00 0.00 N ATOM 850 CA GLN A 57 -4.600 -1.179 -7.801 1.00 0.00 C ATOM 851 C GLN A 57 -3.425 -0.249 -8.075 1.00 0.00 C ATOM 852 O GLN A 57 -2.464 -0.623 -8.748 1.00 0.00 O ATOM 853 CB GLN A 57 -5.852 -0.642 -8.496 1.00 0.00 C ATOM 854 CG GLN A 57 -6.907 -1.703 -8.754 1.00 0.00 C ATOM 855 CD GLN A 57 -6.736 -2.378 -10.101 1.00 0.00 C ATOM 856 OE1 GLN A 57 -6.864 -1.743 -11.148 1.00 0.00 O ATOM 857 NE2 GLN A 57 -6.444 -3.674 -10.081 1.00 0.00 N ATOM 0 H GLN A 57 -5.778 -1.075 -6.069 1.00 0.00 H new ATOM 0 HA GLN A 57 -4.368 -2.168 -8.196 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -6.286 0.149 -7.884 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.565 -0.189 -9.445 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.861 -2.455 -7.966 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -7.896 -1.247 -8.703 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -6.347 -4.161 -9.190 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -6.317 -4.182 -10.956 1.00 0.00 H new ATOM 866 N THR A 58 -3.511 0.965 -7.546 1.00 0.00 N ATOM 867 CA THR A 58 -2.458 1.954 -7.730 1.00 0.00 C ATOM 868 C THR A 58 -1.179 1.533 -7.008 1.00 0.00 C ATOM 869 O THR A 58 -0.077 1.868 -7.439 1.00 0.00 O ATOM 870 CB THR A 58 -2.941 3.329 -7.239 1.00 0.00 C ATOM 871 OG1 THR A 58 -3.200 4.185 -8.337 1.00 0.00 O ATOM 872 CG2 THR A 58 -1.964 4.046 -6.327 1.00 0.00 C ATOM 0 H THR A 58 -4.300 1.288 -6.986 1.00 0.00 H new ATOM 0 HA THR A 58 -2.226 2.024 -8.793 1.00 0.00 H new ATOM 0 HB THR A 58 -3.843 3.116 -6.665 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.166 4.332 -8.417 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.383 5.007 -6.028 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.780 3.438 -5.441 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.025 4.209 -6.856 1.00 0.00 H new ATOM 880 N VAL A 59 -1.330 0.805 -5.905 1.00 0.00 N ATOM 881 CA VAL A 59 -0.179 0.357 -5.132 1.00 0.00 C ATOM 882 C VAL A 59 0.740 -0.535 -5.971 1.00 0.00 C ATOM 883 O VAL A 59 1.925 -0.238 -6.118 1.00 0.00 O ATOM 884 CB VAL A 59 -0.609 -0.379 -3.836 1.00 0.00 C ATOM 885 CG1 VAL A 59 0.245 -1.612 -3.580 1.00 0.00 C ATOM 886 CG2 VAL A 59 -0.536 0.562 -2.640 1.00 0.00 C ATOM 0 H VAL A 59 -2.233 0.515 -5.529 1.00 0.00 H new ATOM 0 HA VAL A 59 0.377 1.249 -4.843 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.640 -0.707 -3.973 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.087 -2.100 -2.664 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.145 -2.304 -4.416 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.289 -1.316 -3.476 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.841 0.030 -1.739 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.486 0.921 -2.521 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.201 1.410 -2.803 1.00 0.00 H new ATOM 896 N LEU A 60 0.202 -1.629 -6.517 1.00 0.00 N ATOM 897 CA LEU A 60 1.015 -2.533 -7.324 1.00 0.00 C ATOM 898 C LEU A 60 1.286 -1.955 -8.691 1.00 0.00 C ATOM 899 O LEU A 60 2.357 -2.145 -9.265 1.00 0.00 O ATOM 900 CB LEU A 60 0.351 -3.875 -7.432 1.00 0.00 C ATOM 901 CG LEU A 60 -0.031 -4.422 -6.085 1.00 0.00 C ATOM 902 CD1 LEU A 60 -0.827 -5.696 -6.224 1.00 0.00 C ATOM 903 CD2 LEU A 60 1.208 -4.654 -5.240 1.00 0.00 C ATOM 0 H LEU A 60 -0.775 -1.904 -6.416 1.00 0.00 H new ATOM 0 HA LEU A 60 1.976 -2.660 -6.826 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.539 -3.790 -8.055 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.023 -4.574 -7.930 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.661 -3.687 -5.584 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.090 -6.070 -5.235 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.737 -5.497 -6.791 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.230 -6.443 -6.747 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.916 -5.050 -4.267 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.862 -5.368 -5.741 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.737 -3.711 -5.104 1.00 0.00 H new ATOM 915 N SER A 61 0.310 -1.239 -9.201 1.00 0.00 N ATOM 916 CA SER A 61 0.439 -0.613 -10.510 1.00 0.00 C ATOM 917 C SER A 61 1.644 0.329 -10.556 1.00 0.00 C ATOM 918 O SER A 61 2.383 0.351 -11.541 1.00 0.00 O ATOM 919 CB SER A 61 -0.826 0.156 -10.862 1.00 0.00 C ATOM 920 OG SER A 61 -1.901 -0.724 -11.138 1.00 0.00 O ATOM 0 H SER A 61 -0.582 -1.072 -8.736 1.00 0.00 H new ATOM 0 HA SER A 61 0.591 -1.407 -11.242 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.095 0.815 -10.037 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.640 0.790 -11.729 1.00 0.00 H new ATOM 0 HG SER A 61 -2.507 -0.752 -10.368 1.00 0.00 H new ATOM 926 N HIS A 62 1.841 1.107 -9.490 1.00 0.00 N ATOM 927 CA HIS A 62 2.959 2.040 -9.428 1.00 0.00 C ATOM 928 C HIS A 62 4.261 1.299 -9.157 1.00 0.00 C ATOM 929 O HIS A 62 5.251 1.486 -9.865 1.00 0.00 O ATOM 930 CB HIS A 62 2.719 3.098 -8.346 1.00 0.00 C ATOM 931 CG HIS A 62 2.512 4.476 -8.894 1.00 0.00 C ATOM 932 ND1 HIS A 62 1.468 5.016 -9.566 1.00 0.00 N flip ATOM 933 CD2 HIS A 62 3.450 5.482 -8.776 1.00 0.00 C flip ATOM 934 CE1 HIS A 62 1.790 6.323 -9.838 1.00 0.00 C flip ATOM 935 NE2 HIS A 62 2.990 6.579 -9.351 1.00 0.00 N flip ATOM 0 H HIS A 62 1.243 1.107 -8.664 1.00 0.00 H new ATOM 0 HA HIS A 62 3.038 2.540 -10.393 1.00 0.00 H new ATOM 0 HB2 HIS A 62 1.846 2.814 -7.759 1.00 0.00 H new ATOM 0 HB3 HIS A 62 3.570 3.110 -7.666 1.00 0.00 H new ATOM 0 HD2 HIS A 62 4.410 5.387 -8.290 1.00 0.00 H new ATOM 0 HE1 HIS A 62 1.163 7.027 -10.365 1.00 0.00 H new ATOM 0 HE2 HIS A 62 3.479 7.472 -9.409 1.00 0.00 H new ATOM 944 N VAL A 63 4.256 0.448 -8.133 1.00 0.00 N ATOM 945 CA VAL A 63 5.446 -0.322 -7.790 1.00 0.00 C ATOM 946 C VAL A 63 5.865 -1.204 -8.955 1.00 0.00 C ATOM 947 O VAL A 63 7.026 -1.201 -9.366 1.00 0.00 O ATOM 948 CB VAL A 63 5.226 -1.216 -6.556 1.00 0.00 C ATOM 949 CG1 VAL A 63 5.154 -0.385 -5.290 1.00 0.00 C ATOM 950 CG2 VAL A 63 3.979 -2.060 -6.708 1.00 0.00 C ATOM 0 H VAL A 63 3.449 0.276 -7.533 1.00 0.00 H new ATOM 0 HA VAL A 63 6.228 0.402 -7.561 1.00 0.00 H new ATOM 0 HB VAL A 63 6.082 -1.887 -6.477 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.998 -1.040 -4.433 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.087 0.164 -5.162 1.00 0.00 H new ATOM 0 HG13 VAL A 63 4.325 0.319 -5.364 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.850 -2.681 -5.821 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.112 -1.410 -6.826 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.076 -2.698 -7.587 1.00 0.00 H new ATOM 960 N ALA A 64 4.900 -1.954 -9.484 1.00 0.00 N ATOM 961 CA ALA A 64 5.126 -2.853 -10.607 1.00 0.00 C ATOM 962 C ALA A 64 6.519 -3.493 -10.564 1.00 0.00 C ATOM 963 O ALA A 64 7.120 -3.720 -11.614 1.00 0.00 O ATOM 964 CB ALA A 64 4.938 -2.102 -11.917 1.00 0.00 C ATOM 0 H ALA A 64 3.939 -1.953 -9.143 1.00 0.00 H new ATOM 0 HA ALA A 64 4.395 -3.658 -10.535 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.109 -2.780 -12.753 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.922 -1.710 -11.969 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.648 -1.277 -11.969 1.00 0.00 H new ATOM 970 N ASN A 65 7.035 -3.783 -9.356 1.00 0.00 N ATOM 971 CA ASN A 65 8.371 -4.393 -9.225 1.00 0.00 C ATOM 972 C ASN A 65 8.953 -4.281 -7.805 1.00 0.00 C ATOM 973 O ASN A 65 8.924 -5.246 -7.043 1.00 0.00 O ATOM 974 CB ASN A 65 9.350 -3.749 -10.213 1.00 0.00 C ATOM 975 CG ASN A 65 9.641 -4.639 -11.406 1.00 0.00 C ATOM 976 OD1 ASN A 65 9.555 -4.205 -12.555 1.00 0.00 O ATOM 977 ND2 ASN A 65 9.991 -5.892 -11.138 1.00 0.00 N ATOM 0 H ASN A 65 6.558 -3.609 -8.471 1.00 0.00 H new ATOM 0 HA ASN A 65 8.241 -5.452 -9.446 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.938 -2.802 -10.562 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.283 -3.521 -9.698 1.00 0.00 H new ATOM 0 HD21 ASN A 65 10.201 -6.537 -11.900 1.00 0.00 H new ATOM 0 HD22 ASN A 65 10.050 -6.209 -10.170 1.00 0.00 H new ATOM 984 N VAL A 66 9.527 -3.113 -7.486 1.00 0.00 N ATOM 985 CA VAL A 66 10.173 -2.873 -6.186 1.00 0.00 C ATOM 986 C VAL A 66 11.239 -3.935 -5.901 1.00 0.00 C ATOM 987 O VAL A 66 11.718 -4.597 -6.821 1.00 0.00 O ATOM 988 CB VAL A 66 9.171 -2.805 -5.009 1.00 0.00 C ATOM 989 CG1 VAL A 66 8.064 -1.813 -5.303 1.00 0.00 C ATOM 990 CG2 VAL A 66 8.591 -4.172 -4.680 1.00 0.00 C ATOM 0 H VAL A 66 9.557 -2.312 -8.117 1.00 0.00 H new ATOM 0 HA VAL A 66 10.644 -1.893 -6.262 1.00 0.00 H new ATOM 0 HB VAL A 66 9.722 -2.463 -4.133 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.371 -1.781 -4.462 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.494 -0.823 -5.456 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.530 -2.120 -6.202 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.892 -4.080 -3.848 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.068 -4.565 -5.552 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.397 -4.852 -4.404 1.00 0.00 H new ATOM 1000 N VAL A 67 11.612 -4.095 -4.629 1.00 0.00 N ATOM 1001 CA VAL A 67 12.628 -5.085 -4.263 1.00 0.00 C ATOM 1002 C VAL A 67 12.441 -5.606 -2.847 1.00 0.00 C ATOM 1003 O VAL A 67 12.809 -6.737 -2.544 1.00 0.00 O ATOM 1004 CB VAL A 67 14.060 -4.530 -4.418 1.00 0.00 C ATOM 1005 CG1 VAL A 67 14.368 -3.506 -3.334 1.00 0.00 C ATOM 1006 CG2 VAL A 67 15.073 -5.664 -4.390 1.00 0.00 C ATOM 0 H VAL A 67 11.233 -3.562 -3.847 1.00 0.00 H new ATOM 0 HA VAL A 67 12.495 -5.914 -4.958 1.00 0.00 H new ATOM 0 HB VAL A 67 14.129 -4.027 -5.383 1.00 0.00 H new ATOM 0 HG11 VAL A 67 15.383 -3.131 -3.466 1.00 0.00 H new ATOM 0 HG12 VAL A 67 13.663 -2.678 -3.405 1.00 0.00 H new ATOM 0 HG13 VAL A 67 14.279 -3.975 -2.354 1.00 0.00 H new ATOM 0 HG21 VAL A 67 16.078 -5.257 -4.500 1.00 0.00 H new ATOM 0 HG22 VAL A 67 14.999 -6.195 -3.441 1.00 0.00 H new ATOM 0 HG23 VAL A 67 14.869 -6.354 -5.209 1.00 0.00 H new ATOM 1016 N LEU A 68 11.860 -4.779 -1.999 1.00 0.00 N ATOM 1017 CA LEU A 68 11.593 -5.137 -0.606 1.00 0.00 C ATOM 1018 C LEU A 68 12.647 -6.085 -0.036 1.00 0.00 C ATOM 1019 O LEU A 68 12.547 -7.300 -0.202 1.00 0.00 O ATOM 1020 CB LEU A 68 10.216 -5.796 -0.504 1.00 0.00 C ATOM 1021 CG LEU A 68 9.117 -5.146 -1.347 1.00 0.00 C ATOM 1022 CD1 LEU A 68 8.445 -6.181 -2.235 1.00 0.00 C ATOM 1023 CD2 LEU A 68 8.092 -4.464 -0.453 1.00 0.00 C ATOM 0 H LEU A 68 11.557 -3.838 -2.250 1.00 0.00 H new ATOM 0 HA LEU A 68 11.625 -4.217 -0.022 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.308 -6.841 -0.800 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.903 -5.787 0.540 1.00 0.00 H new ATOM 0 HG LEU A 68 9.574 -4.390 -1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.666 -5.701 -2.828 1.00 0.00 H new ATOM 0 HD12 LEU A 68 9.185 -6.625 -2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.001 -6.960 -1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.318 -4.007 -1.070 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.640 -5.201 0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.583 -3.694 0.142 1.00 0.00 H new ATOM 1035 N THR A 69 13.649 -5.537 0.644 1.00 0.00 N ATOM 1036 CA THR A 69 14.692 -6.368 1.226 1.00 0.00 C ATOM 1037 C THR A 69 14.121 -7.252 2.342 1.00 0.00 C ATOM 1038 O THR A 69 13.257 -8.090 2.086 1.00 0.00 O ATOM 1039 CB THR A 69 15.862 -5.514 1.721 1.00 0.00 C ATOM 1040 OG1 THR A 69 15.539 -4.861 2.936 1.00 0.00 O ATOM 1041 CG2 THR A 69 16.287 -4.453 0.729 1.00 0.00 C ATOM 0 H THR A 69 13.759 -4.536 0.803 1.00 0.00 H new ATOM 0 HA THR A 69 15.079 -7.027 0.449 1.00 0.00 H new ATOM 0 HB THR A 69 16.686 -6.214 1.861 1.00 0.00 H new ATOM 0 HG1 THR A 69 16.303 -4.324 3.232 1.00 0.00 H new ATOM 0 HG21 THR A 69 17.120 -3.883 1.141 1.00 0.00 H new ATOM 0 HG22 THR A 69 16.597 -4.928 -0.202 1.00 0.00 H new ATOM 0 HG23 THR A 69 15.450 -3.783 0.533 1.00 0.00 H new ATOM 1049 N GLN A 70 14.596 -7.072 3.571 1.00 0.00 N ATOM 1050 CA GLN A 70 14.114 -7.865 4.698 1.00 0.00 C ATOM 1051 C GLN A 70 12.999 -7.131 5.447 1.00 0.00 C ATOM 1052 O GLN A 70 12.019 -7.740 5.887 1.00 0.00 O ATOM 1053 CB GLN A 70 15.271 -8.199 5.651 1.00 0.00 C ATOM 1054 CG GLN A 70 15.715 -7.040 6.535 1.00 0.00 C ATOM 1055 CD GLN A 70 16.427 -5.944 5.764 1.00 0.00 C ATOM 1056 OE1 GLN A 70 16.101 -4.764 5.898 1.00 0.00 O ATOM 1057 NE2 GLN A 70 17.405 -6.326 4.949 1.00 0.00 N ATOM 0 H GLN A 70 15.312 -6.386 3.812 1.00 0.00 H new ATOM 0 HA GLN A 70 13.703 -8.796 4.307 1.00 0.00 H new ATOM 0 HB2 GLN A 70 14.972 -9.031 6.288 1.00 0.00 H new ATOM 0 HB3 GLN A 70 16.124 -8.538 5.063 1.00 0.00 H new ATOM 0 HG2 GLN A 70 14.844 -6.617 7.035 1.00 0.00 H new ATOM 0 HG3 GLN A 70 16.377 -7.418 7.314 1.00 0.00 H new ATOM 0 HE21 GLN A 70 17.644 -7.314 4.867 1.00 0.00 H new ATOM 0 HE22 GLN A 70 17.917 -5.631 4.406 1.00 0.00 H new ATOM 1066 N GLU A 71 13.156 -5.819 5.583 1.00 0.00 N ATOM 1067 CA GLU A 71 12.172 -4.998 6.274 1.00 0.00 C ATOM 1068 C GLU A 71 10.837 -5.007 5.539 1.00 0.00 C ATOM 1069 O GLU A 71 9.820 -5.432 6.087 1.00 0.00 O ATOM 1070 CB GLU A 71 12.684 -3.563 6.412 1.00 0.00 C ATOM 1071 CG GLU A 71 11.974 -2.764 7.493 1.00 0.00 C ATOM 1072 CD GLU A 71 12.084 -1.267 7.278 1.00 0.00 C ATOM 1073 OE1 GLU A 71 12.012 -0.828 6.110 1.00 0.00 O ATOM 1074 OE2 GLU A 71 12.243 -0.534 8.276 1.00 0.00 O ATOM 0 H GLU A 71 13.958 -5.301 5.223 1.00 0.00 H new ATOM 0 HA GLU A 71 12.018 -5.420 7.267 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.751 -3.587 6.632 1.00 0.00 H new ATOM 0 HB3 GLU A 71 12.566 -3.051 5.457 1.00 0.00 H new ATOM 0 HG2 GLU A 71 10.922 -3.048 7.517 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.396 -3.020 8.465 1.00 0.00 H new ATOM 1081 N ASP A 72 10.843 -4.530 4.297 1.00 0.00 N ATOM 1082 CA ASP A 72 9.625 -4.481 3.499 1.00 0.00 C ATOM 1083 C ASP A 72 9.024 -5.878 3.319 1.00 0.00 C ATOM 1084 O ASP A 72 7.808 -6.026 3.219 1.00 0.00 O ATOM 1085 CB ASP A 72 9.885 -3.825 2.147 1.00 0.00 C ATOM 1086 CG ASP A 72 10.749 -2.584 2.258 1.00 0.00 C ATOM 1087 OD1 ASP A 72 11.901 -2.703 2.727 1.00 0.00 O ATOM 1088 OD2 ASP A 72 10.274 -1.494 1.876 1.00 0.00 O ATOM 0 H ASP A 72 11.674 -4.174 3.825 1.00 0.00 H new ATOM 0 HA ASP A 72 8.900 -3.872 4.038 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.370 -4.543 1.486 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.933 -3.561 1.686 1.00 0.00 H new ATOM 1093 N THR A 73 9.870 -6.910 3.305 1.00 0.00 N ATOM 1094 CA THR A 73 9.371 -8.280 3.174 1.00 0.00 C ATOM 1095 C THR A 73 8.512 -8.604 4.384 1.00 0.00 C ATOM 1096 O THR A 73 7.317 -8.880 4.255 1.00 0.00 O ATOM 1097 CB THR A 73 10.518 -9.284 3.054 1.00 0.00 C ATOM 1098 OG1 THR A 73 11.641 -8.855 3.796 1.00 0.00 O ATOM 1099 CG2 THR A 73 10.967 -9.512 1.628 1.00 0.00 C ATOM 0 H THR A 73 10.884 -6.827 3.381 1.00 0.00 H new ATOM 0 HA THR A 73 8.778 -8.354 2.262 1.00 0.00 H new ATOM 0 HB THR A 73 10.123 -10.221 3.447 1.00 0.00 H new ATOM 0 HG1 THR A 73 11.430 -8.879 4.753 1.00 0.00 H new ATOM 0 HG21 THR A 73 11.783 -10.235 1.615 1.00 0.00 H new ATOM 0 HG22 THR A 73 10.133 -9.896 1.041 1.00 0.00 H new ATOM 0 HG23 THR A 73 11.310 -8.570 1.199 1.00 0.00 H new ATOM 1107 N ALA A 74 9.111 -8.515 5.571 1.00 0.00 N ATOM 1108 CA ALA A 74 8.364 -8.747 6.799 1.00 0.00 C ATOM 1109 C ALA A 74 7.190 -7.773 6.849 1.00 0.00 C ATOM 1110 O ALA A 74 6.166 -8.031 7.481 1.00 0.00 O ATOM 1111 CB ALA A 74 9.262 -8.574 8.015 1.00 0.00 C ATOM 0 H ALA A 74 10.096 -8.287 5.705 1.00 0.00 H new ATOM 0 HA ALA A 74 7.989 -9.770 6.812 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.684 -8.752 8.922 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.085 -9.287 7.964 1.00 0.00 H new ATOM 0 HB3 ALA A 74 9.661 -7.560 8.032 1.00 0.00 H new ATOM 1117 N LYS A 75 7.361 -6.656 6.141 1.00 0.00 N ATOM 1118 CA LYS A 75 6.347 -5.618 6.042 1.00 0.00 C ATOM 1119 C LYS A 75 5.088 -6.176 5.376 1.00 0.00 C ATOM 1120 O LYS A 75 4.004 -6.144 5.959 1.00 0.00 O ATOM 1121 CB LYS A 75 6.916 -4.455 5.230 1.00 0.00 C ATOM 1122 CG LYS A 75 6.421 -3.084 5.646 1.00 0.00 C ATOM 1123 CD LYS A 75 7.390 -2.404 6.600 1.00 0.00 C ATOM 1124 CE LYS A 75 8.706 -2.069 5.918 1.00 0.00 C ATOM 1125 NZ LYS A 75 8.497 -1.401 4.603 1.00 0.00 N ATOM 0 H LYS A 75 8.213 -6.450 5.619 1.00 0.00 H new ATOM 0 HA LYS A 75 6.074 -5.266 7.037 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.003 -4.473 5.310 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.671 -4.610 4.179 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.284 -2.462 4.761 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.446 -3.178 6.123 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.938 -1.491 6.988 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.578 -3.055 7.454 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.295 -1.419 6.565 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.283 -2.983 5.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.408 -1.053 4.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.094 -2.082 3.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.843 -0.601 4.720 1.00 0.00 H new ATOM 1139 N LEU A 76 5.242 -6.714 4.161 1.00 0.00 N ATOM 1140 CA LEU A 76 4.112 -7.305 3.443 1.00 0.00 C ATOM 1141 C LEU A 76 3.523 -8.436 4.270 1.00 0.00 C ATOM 1142 O LEU A 76 2.308 -8.626 4.321 1.00 0.00 O ATOM 1143 CB LEU A 76 4.541 -7.853 2.080 1.00 0.00 C ATOM 1144 CG LEU A 76 4.505 -6.843 0.932 1.00 0.00 C ATOM 1145 CD1 LEU A 76 5.913 -6.423 0.542 1.00 0.00 C ATOM 1146 CD2 LEU A 76 3.769 -7.426 -0.265 1.00 0.00 C ATOM 0 H LEU A 76 6.130 -6.752 3.660 1.00 0.00 H new ATOM 0 HA LEU A 76 3.369 -6.524 3.282 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.554 -8.245 2.166 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.895 -8.693 1.824 1.00 0.00 H new ATOM 0 HG LEU A 76 3.967 -5.957 1.270 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.865 -5.704 -0.276 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.406 -5.965 1.399 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.479 -7.298 0.223 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.752 -6.695 -1.073 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.280 -8.328 -0.602 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.747 -7.674 0.022 1.00 0.00 H new ATOM 1158 N LEU A 77 4.412 -9.185 4.914 1.00 0.00 N ATOM 1159 CA LEU A 77 4.017 -10.310 5.746 1.00 0.00 C ATOM 1160 C LEU A 77 3.071 -9.875 6.851 1.00 0.00 C ATOM 1161 O LEU A 77 2.032 -10.495 7.072 1.00 0.00 O ATOM 1162 CB LEU A 77 5.253 -10.967 6.357 1.00 0.00 C ATOM 1163 CG LEU A 77 5.692 -12.246 5.655 1.00 0.00 C ATOM 1164 CD1 LEU A 77 7.121 -12.122 5.148 1.00 0.00 C ATOM 1165 CD2 LEU A 77 5.550 -13.446 6.579 1.00 0.00 C ATOM 0 H LEU A 77 5.419 -9.029 4.873 1.00 0.00 H new ATOM 0 HA LEU A 77 3.495 -11.028 5.113 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.077 -10.254 6.337 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.051 -11.192 7.404 1.00 0.00 H new ATOM 0 HG LEU A 77 5.040 -12.400 4.796 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.412 -13.047 4.651 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.186 -11.294 4.442 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.790 -11.936 5.988 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.869 -14.348 6.056 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.171 -13.300 7.463 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.508 -13.551 6.881 1.00 0.00 H new ATOM 1177 N GLN A 78 3.442 -8.816 7.554 1.00 0.00 N ATOM 1178 CA GLN A 78 2.626 -8.319 8.646 1.00 0.00 C ATOM 1179 C GLN A 78 1.365 -7.636 8.129 1.00 0.00 C ATOM 1180 O GLN A 78 0.279 -7.822 8.675 1.00 0.00 O ATOM 1181 CB GLN A 78 3.426 -7.352 9.515 1.00 0.00 C ATOM 1182 CG GLN A 78 4.216 -8.026 10.613 1.00 0.00 C ATOM 1183 CD GLN A 78 3.411 -9.054 11.388 1.00 0.00 C ATOM 1184 OE1 GLN A 78 2.742 -8.725 12.367 1.00 0.00 O ATOM 1185 NE2 GLN A 78 3.473 -10.306 10.951 1.00 0.00 N ATOM 0 H GLN A 78 4.299 -8.288 7.388 1.00 0.00 H new ATOM 0 HA GLN A 78 2.326 -9.175 9.251 1.00 0.00 H new ATOM 0 HB2 GLN A 78 4.111 -6.790 8.880 1.00 0.00 H new ATOM 0 HB3 GLN A 78 2.742 -6.631 9.963 1.00 0.00 H new ATOM 0 HG2 GLN A 78 5.089 -8.512 10.177 1.00 0.00 H new ATOM 0 HG3 GLN A 78 4.585 -7.268 11.304 1.00 0.00 H new ATOM 0 HE21 GLN A 78 4.041 -10.534 10.135 1.00 0.00 H new ATOM 0 HE22 GLN A 78 2.953 -11.040 11.431 1.00 0.00 H new ATOM 1194 N SER A 79 1.518 -6.842 7.077 1.00 0.00 N ATOM 1195 CA SER A 79 0.391 -6.125 6.490 1.00 0.00 C ATOM 1196 C SER A 79 -0.582 -7.085 5.808 1.00 0.00 C ATOM 1197 O SER A 79 -1.774 -6.799 5.699 1.00 0.00 O ATOM 1198 CB SER A 79 0.894 -5.086 5.485 1.00 0.00 C ATOM 1199 OG SER A 79 1.026 -5.646 4.189 1.00 0.00 O ATOM 0 H SER A 79 2.411 -6.678 6.612 1.00 0.00 H new ATOM 0 HA SER A 79 -0.142 -5.619 7.295 1.00 0.00 H new ATOM 0 HB2 SER A 79 0.202 -4.244 5.451 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.856 -4.694 5.814 1.00 0.00 H new ATOM 0 HG SER A 79 1.734 -5.176 3.700 1.00 0.00 H new ATOM 1205 N THR A 80 -0.067 -8.218 5.343 1.00 0.00 N ATOM 1206 CA THR A 80 -0.894 -9.211 4.665 1.00 0.00 C ATOM 1207 C THR A 80 -1.368 -10.300 5.628 1.00 0.00 C ATOM 1208 O THR A 80 -2.499 -10.775 5.532 1.00 0.00 O ATOM 1209 CB THR A 80 -0.115 -9.842 3.510 1.00 0.00 C ATOM 1210 OG1 THR A 80 0.326 -8.849 2.602 1.00 0.00 O ATOM 1211 CG2 THR A 80 -0.921 -10.855 2.726 1.00 0.00 C ATOM 0 H THR A 80 0.918 -8.472 5.423 1.00 0.00 H new ATOM 0 HA THR A 80 -1.774 -8.700 4.275 1.00 0.00 H new ATOM 0 HB THR A 80 0.727 -10.354 3.976 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.172 -8.469 2.918 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.309 -11.264 1.922 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.235 -11.661 3.389 1.00 0.00 H new ATOM 0 HG23 THR A 80 -1.801 -10.371 2.302 1.00 0.00 H new ATOM 1322 N ASN A 87 -3.654 -11.583 0.683 1.00 0.00 N ATOM 1323 CA ASN A 87 -4.052 -11.080 -0.627 1.00 0.00 C ATOM 1324 C ASN A 87 -2.850 -10.673 -1.474 1.00 0.00 C ATOM 1325 O ASN A 87 -2.956 -10.552 -2.702 1.00 0.00 O ATOM 1326 CB ASN A 87 -4.988 -9.884 -0.462 1.00 0.00 C ATOM 1327 CG ASN A 87 -4.462 -8.880 0.545 1.00 0.00 C ATOM 1328 OD1 ASN A 87 -3.260 -8.628 0.619 1.00 0.00 O ATOM 1329 ND2 ASN A 87 -5.361 -8.306 1.330 1.00 0.00 N ATOM 0 HA ASN A 87 -4.566 -11.889 -1.145 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -5.121 -9.393 -1.426 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -5.970 -10.234 -0.144 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -5.066 -7.625 2.030 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -6.348 -8.545 1.234 1.00 0.00 H new ATOM 1336 N TYR A 88 -1.709 -10.442 -0.833 1.00 0.00 N ATOM 1337 CA TYR A 88 -0.529 -10.038 -1.565 1.00 0.00 C ATOM 1338 C TYR A 88 0.407 -11.211 -1.803 1.00 0.00 C ATOM 1339 O TYR A 88 0.466 -12.147 -1.006 1.00 0.00 O ATOM 1340 CB TYR A 88 0.190 -8.906 -0.837 1.00 0.00 C ATOM 1341 CG TYR A 88 -0.144 -7.555 -1.412 1.00 0.00 C ATOM 1342 CD1 TYR A 88 -1.462 -7.123 -1.489 1.00 0.00 C ATOM 1343 CD2 TYR A 88 0.849 -6.726 -1.904 1.00 0.00 C ATOM 1344 CE1 TYR A 88 -1.777 -5.898 -2.041 1.00 0.00 C ATOM 1345 CE2 TYR A 88 0.542 -5.504 -2.461 1.00 0.00 C ATOM 1346 CZ TYR A 88 -0.770 -5.094 -2.528 1.00 0.00 C ATOM 1347 OH TYR A 88 -1.078 -3.880 -3.094 1.00 0.00 O ATOM 0 H TYR A 88 -1.583 -10.528 0.176 1.00 0.00 H new ATOM 0 HA TYR A 88 -0.849 -9.673 -2.541 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.080 -8.926 0.219 1.00 0.00 H new ATOM 0 HB3 TYR A 88 1.267 -9.067 -0.893 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.252 -7.755 -1.111 1.00 0.00 H new ATOM 0 HD2 TYR A 88 1.880 -7.042 -1.850 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -2.805 -5.572 -2.091 1.00 0.00 H new ATOM 0 HE2 TYR A 88 1.328 -4.870 -2.844 1.00 0.00 H new ATOM 0 HH TYR A 88 -1.899 -3.530 -2.690 1.00 0.00 H new ATOM 1357 N ASP A 89 1.124 -11.159 -2.919 1.00 0.00 N ATOM 1358 CA ASP A 89 2.039 -12.206 -3.288 1.00 0.00 C ATOM 1359 C ASP A 89 3.456 -11.633 -3.395 1.00 0.00 C ATOM 1360 O ASP A 89 3.649 -10.461 -3.738 1.00 0.00 O ATOM 1361 CB ASP A 89 1.537 -12.817 -4.604 1.00 0.00 C ATOM 1362 CG ASP A 89 2.644 -13.275 -5.541 1.00 0.00 C ATOM 1363 OD1 ASP A 89 3.539 -12.464 -5.855 1.00 0.00 O ATOM 1364 OD2 ASP A 89 2.611 -14.450 -5.963 1.00 0.00 O ATOM 0 H ASP A 89 1.080 -10.388 -3.585 1.00 0.00 H new ATOM 0 HA ASP A 89 2.082 -12.995 -2.537 1.00 0.00 H new ATOM 0 HB2 ASP A 89 0.895 -13.668 -4.375 1.00 0.00 H new ATOM 0 HB3 ASP A 89 0.920 -12.082 -5.121 1.00 0.00 H new ATOM 1369 N LEU A 90 4.443 -12.450 -3.092 1.00 0.00 N ATOM 1370 CA LEU A 90 5.828 -11.994 -3.149 1.00 0.00 C ATOM 1371 C LEU A 90 6.790 -13.119 -3.518 1.00 0.00 C ATOM 1372 O LEU A 90 6.565 -14.285 -3.194 1.00 0.00 O ATOM 1373 CB LEU A 90 6.271 -11.380 -1.808 1.00 0.00 C ATOM 1374 CG LEU A 90 5.170 -10.892 -0.871 1.00 0.00 C ATOM 1375 CD1 LEU A 90 4.372 -12.063 -0.319 1.00 0.00 C ATOM 1376 CD2 LEU A 90 5.772 -10.075 0.265 1.00 0.00 C ATOM 0 H LEU A 90 4.322 -13.422 -2.807 1.00 0.00 H new ATOM 0 HA LEU A 90 5.864 -11.234 -3.929 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.864 -12.123 -1.275 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.931 -10.539 -2.022 1.00 0.00 H new ATOM 0 HG LEU A 90 4.490 -10.257 -1.439 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.593 -11.691 0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.915 -12.612 -1.142 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.036 -12.727 0.235 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.977 -9.732 0.927 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.471 -10.694 0.827 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.299 -9.214 -0.146 1.00 0.00 H new ATOM 1388 N ARG A 91 7.884 -12.736 -4.167 1.00 0.00 N ATOM 1389 CA ARG A 91 8.932 -13.675 -4.561 1.00 0.00 C ATOM 1390 C ARG A 91 10.241 -13.219 -3.930 1.00 0.00 C ATOM 1391 O ARG A 91 10.480 -12.026 -3.831 1.00 0.00 O ATOM 1392 CB ARG A 91 9.059 -13.727 -6.086 1.00 0.00 C ATOM 1393 CG ARG A 91 10.244 -14.542 -6.577 1.00 0.00 C ATOM 1394 CD ARG A 91 10.072 -16.018 -6.264 1.00 0.00 C ATOM 1395 NE ARG A 91 11.352 -16.721 -6.226 1.00 0.00 N ATOM 1396 CZ ARG A 91 11.530 -17.906 -5.649 1.00 0.00 C ATOM 1397 NH1 ARG A 91 10.514 -18.525 -5.059 1.00 0.00 N ATOM 1398 NH2 ARG A 91 12.727 -18.475 -5.660 1.00 0.00 N ATOM 0 H ARG A 91 8.071 -11.770 -4.435 1.00 0.00 H new ATOM 0 HA ARG A 91 8.683 -14.679 -4.216 1.00 0.00 H new ATOM 0 HB2 ARG A 91 8.144 -14.147 -6.503 1.00 0.00 H new ATOM 0 HB3 ARG A 91 9.146 -12.710 -6.469 1.00 0.00 H new ATOM 0 HG2 ARG A 91 10.358 -14.408 -7.653 1.00 0.00 H new ATOM 0 HG3 ARG A 91 11.158 -14.174 -6.111 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.569 -16.129 -5.304 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.429 -16.476 -7.016 1.00 0.00 H new ATOM 0 HE ARG A 91 12.157 -16.277 -6.668 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.591 -18.092 -5.047 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.657 -19.434 -4.618 1.00 0.00 H new ATOM 0 HH21 ARG A 91 13.511 -18.004 -6.111 1.00 0.00 H new ATOM 0 HH22 ARG A 91 12.864 -19.384 -5.218 1.00 0.00 H new ATOM 1412 N SER A 92 11.079 -14.140 -3.466 1.00 0.00 N ATOM 1413 CA SER A 92 12.320 -13.724 -2.814 1.00 0.00 C ATOM 1414 C SER A 92 13.561 -13.911 -3.675 1.00 0.00 C ATOM 1415 O SER A 92 13.679 -14.855 -4.454 1.00 0.00 O ATOM 1416 CB SER A 92 12.513 -14.443 -1.485 1.00 0.00 C ATOM 1417 OG SER A 92 12.464 -15.850 -1.647 1.00 0.00 O ATOM 0 H SER A 92 10.932 -15.148 -3.524 1.00 0.00 H new ATOM 0 HA SER A 92 12.206 -12.653 -2.645 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.472 -14.158 -1.051 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.740 -14.129 -0.784 1.00 0.00 H new ATOM 0 HG SER A 92 12.593 -16.284 -0.778 1.00 0.00 H new ATOM 1423 N VAL A 93 14.482 -12.975 -3.479 1.00 0.00 N ATOM 1424 CA VAL A 93 15.765 -12.925 -4.157 1.00 0.00 C ATOM 1425 C VAL A 93 16.612 -11.828 -3.487 1.00 0.00 C ATOM 1426 O VAL A 93 16.764 -11.829 -2.263 1.00 0.00 O ATOM 1427 CB VAL A 93 15.600 -12.645 -5.671 1.00 0.00 C ATOM 1428 CG1 VAL A 93 15.145 -13.896 -6.406 1.00 0.00 C ATOM 1429 CG2 VAL A 93 14.630 -11.494 -5.905 1.00 0.00 C ATOM 0 H VAL A 93 14.349 -12.206 -2.822 1.00 0.00 H new ATOM 0 HA VAL A 93 16.260 -13.892 -4.072 1.00 0.00 H new ATOM 0 HB VAL A 93 16.572 -12.355 -6.070 1.00 0.00 H new ATOM 0 HG11 VAL A 93 15.036 -13.675 -7.468 1.00 0.00 H new ATOM 0 HG12 VAL A 93 15.885 -14.685 -6.274 1.00 0.00 H new ATOM 0 HG13 VAL A 93 14.187 -14.226 -6.004 1.00 0.00 H new ATOM 0 HG21 VAL A 93 14.529 -11.315 -6.975 1.00 0.00 H new ATOM 0 HG22 VAL A 93 13.656 -11.748 -5.487 1.00 0.00 H new ATOM 0 HG23 VAL A 93 15.009 -10.594 -5.421 1.00 0.00 H new ATOM 1467 N ASN A 97 15.990 -9.761 -0.472 1.00 0.00 N ATOM 1468 CA ASN A 97 14.902 -8.922 -0.942 1.00 0.00 C ATOM 1469 C ASN A 97 13.886 -9.757 -1.697 1.00 0.00 C ATOM 1470 O ASN A 97 14.157 -10.898 -2.047 1.00 0.00 O ATOM 1471 CB ASN A 97 15.404 -7.793 -1.844 1.00 0.00 C ATOM 1472 CG ASN A 97 16.862 -7.419 -1.612 1.00 0.00 C ATOM 1473 OD1 ASN A 97 17.306 -7.464 -0.360 1.00 0.00 O flip ATOM 1474 ND2 ASN A 97 17.582 -7.082 -2.552 1.00 0.00 N flip ATOM 0 HA ASN A 97 14.434 -8.474 -0.065 1.00 0.00 H new ATOM 0 HB2 ASN A 97 15.276 -8.089 -2.885 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.783 -6.911 -1.685 1.00 0.00 H new ATOM 0 HD21 ASN A 97 17.206 -7.059 -3.500 1.00 0.00 H new ATOM 0 HD22 ASN A 97 18.555 -6.825 -2.383 1.00 0.00 H new ATOM 1481 N SER A 98 12.715 -9.191 -1.938 1.00 0.00 N ATOM 1482 CA SER A 98 11.669 -9.904 -2.647 1.00 0.00 C ATOM 1483 C SER A 98 10.982 -9.003 -3.665 1.00 0.00 C ATOM 1484 O SER A 98 11.111 -7.784 -3.630 1.00 0.00 O ATOM 1485 CB SER A 98 10.644 -10.451 -1.654 1.00 0.00 C ATOM 1486 OG SER A 98 9.356 -10.557 -2.239 1.00 0.00 O ATOM 0 H SER A 98 12.467 -8.243 -1.654 1.00 0.00 H new ATOM 0 HA SER A 98 12.128 -10.734 -3.185 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.966 -11.431 -1.301 1.00 0.00 H new ATOM 0 HB3 SER A 98 10.596 -9.798 -0.783 1.00 0.00 H new ATOM 0 HG SER A 98 9.362 -11.264 -2.917 1.00 0.00 H new ATOM 1492 N VAL A 99 10.236 -9.619 -4.558 1.00 0.00 N ATOM 1493 CA VAL A 99 9.510 -8.895 -5.576 1.00 0.00 C ATOM 1494 C VAL A 99 8.044 -8.850 -5.185 1.00 0.00 C ATOM 1495 O VAL A 99 7.546 -9.769 -4.526 1.00 0.00 O ATOM 1496 CB VAL A 99 9.700 -9.564 -6.956 1.00 0.00 C ATOM 1497 CG1 VAL A 99 8.379 -10.054 -7.539 1.00 0.00 C ATOM 1498 CG2 VAL A 99 10.397 -8.613 -7.918 1.00 0.00 C ATOM 0 H VAL A 99 10.117 -10.631 -4.597 1.00 0.00 H new ATOM 0 HA VAL A 99 9.893 -7.877 -5.654 1.00 0.00 H new ATOM 0 HB VAL A 99 10.332 -10.440 -6.811 1.00 0.00 H new ATOM 0 HG11 VAL A 99 8.559 -10.517 -8.509 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.933 -10.785 -6.865 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.700 -9.210 -7.660 1.00 0.00 H new ATOM 0 HG21 VAL A 99 10.523 -9.101 -8.885 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.794 -7.713 -8.041 1.00 0.00 H new ATOM 0 HG23 VAL A 99 11.374 -8.343 -7.518 1.00 0.00 H new ATOM 1508 N LEU A 100 7.362 -7.771 -5.548 1.00 0.00 N ATOM 1509 CA LEU A 100 5.970 -7.620 -5.173 1.00 0.00 C ATOM 1510 C LEU A 100 5.009 -7.886 -6.315 1.00 0.00 C ATOM 1511 O LEU A 100 4.794 -7.049 -7.194 1.00 0.00 O ATOM 1512 CB LEU A 100 5.730 -6.240 -4.584 1.00 0.00 C ATOM 1513 CG LEU A 100 4.299 -5.709 -4.632 1.00 0.00 C ATOM 1514 CD1 LEU A 100 3.444 -6.406 -3.591 1.00 0.00 C ATOM 1515 CD2 LEU A 100 4.302 -4.206 -4.415 1.00 0.00 C ATOM 0 H LEU A 100 7.747 -7.000 -6.094 1.00 0.00 H new ATOM 0 HA LEU A 100 5.766 -8.380 -4.418 1.00 0.00 H new ATOM 0 HB2 LEU A 100 6.052 -6.255 -3.543 1.00 0.00 H new ATOM 0 HB3 LEU A 100 6.373 -5.531 -5.106 1.00 0.00 H new ATOM 0 HG LEU A 100 3.871 -5.917 -5.613 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.427 -6.018 -3.637 1.00 0.00 H new ATOM 0 HD12 LEU A 100 3.432 -7.478 -3.788 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.858 -6.224 -2.599 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.279 -3.831 -4.450 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.738 -3.980 -3.442 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.891 -3.727 -5.197 1.00 0.00 H new ATOM 1527 N VAL A 101 4.376 -9.038 -6.223 1.00 0.00 N ATOM 1528 CA VAL A 101 3.347 -9.443 -7.155 1.00 0.00 C ATOM 1529 C VAL A 101 2.149 -9.708 -6.274 1.00 0.00 C ATOM 1530 O VAL A 101 2.247 -10.466 -5.318 1.00 0.00 O ATOM 1531 CB VAL A 101 3.714 -10.706 -7.972 1.00 0.00 C ATOM 1532 CG1 VAL A 101 3.570 -10.435 -9.462 1.00 0.00 C ATOM 1533 CG2 VAL A 101 5.124 -11.180 -7.646 1.00 0.00 C ATOM 0 H VAL A 101 4.564 -9.724 -5.492 1.00 0.00 H new ATOM 0 HA VAL A 101 3.179 -8.675 -7.911 1.00 0.00 H new ATOM 0 HB VAL A 101 3.022 -11.501 -7.695 1.00 0.00 H new ATOM 0 HG11 VAL A 101 3.832 -11.333 -10.022 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.540 -10.157 -9.683 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.235 -9.621 -9.750 1.00 0.00 H new ATOM 0 HG21 VAL A 101 5.354 -12.068 -8.234 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.837 -10.391 -7.885 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.191 -11.420 -6.585 1.00 0.00 H new ATOM 1543 N SER A 102 1.057 -9.022 -6.475 1.00 0.00 N ATOM 1544 CA SER A 102 -0.025 -9.199 -5.535 1.00 0.00 C ATOM 1545 C SER A 102 -1.376 -8.825 -6.068 1.00 0.00 C ATOM 1546 O SER A 102 -1.504 -8.119 -7.067 1.00 0.00 O ATOM 1547 CB SER A 102 0.271 -8.326 -4.313 1.00 0.00 C ATOM 1548 OG SER A 102 -0.797 -7.438 -4.039 1.00 0.00 O ATOM 0 H SER A 102 0.891 -8.366 -7.239 1.00 0.00 H new ATOM 0 HA SER A 102 -0.072 -10.262 -5.300 1.00 0.00 H new ATOM 0 HB2 SER A 102 0.449 -8.961 -3.445 1.00 0.00 H new ATOM 0 HB3 SER A 102 1.184 -7.756 -4.484 1.00 0.00 H new ATOM 0 HG SER A 102 -0.720 -7.107 -3.120 1.00 0.00 H new ATOM 1554 N LEU A 103 -2.380 -9.258 -5.316 1.00 0.00 N ATOM 1555 CA LEU A 103 -3.750 -8.929 -5.598 1.00 0.00 C ATOM 1556 C LEU A 103 -4.712 -9.868 -4.895 1.00 0.00 C ATOM 1557 O LEU A 103 -5.133 -9.604 -3.769 1.00 0.00 O ATOM 1558 CB LEU A 103 -4.049 -8.824 -7.101 1.00 0.00 C ATOM 1559 CG LEU A 103 -4.249 -7.389 -7.632 1.00 0.00 C ATOM 1560 CD1 LEU A 103 -5.720 -7.077 -7.789 1.00 0.00 C ATOM 1561 CD2 LEU A 103 -3.615 -6.354 -6.714 1.00 0.00 C ATOM 0 H LEU A 103 -2.255 -9.848 -4.494 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.910 -7.931 -5.190 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.230 -9.287 -7.651 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -4.947 -9.403 -7.318 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.757 -7.339 -8.604 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.838 -6.061 -8.164 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.168 -7.778 -8.493 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -6.216 -7.167 -6.823 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.778 -5.357 -7.123 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.068 -6.419 -5.725 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.545 -6.544 -6.636 1.00 0.00 H new ATOM 1573 N ARG A 104 -5.070 -10.950 -5.554 1.00 0.00 N ATOM 1574 CA ARG A 104 -6.002 -11.908 -4.966 1.00 0.00 C ATOM 1575 C ARG A 104 -7.275 -11.183 -4.527 1.00 0.00 C ATOM 1576 O ARG A 104 -7.947 -11.600 -3.585 1.00 0.00 O ATOM 1577 CB ARG A 104 -5.344 -12.596 -3.766 1.00 0.00 C ATOM 1578 CG ARG A 104 -4.762 -13.962 -4.087 1.00 0.00 C ATOM 1579 CD ARG A 104 -3.547 -13.850 -4.996 1.00 0.00 C ATOM 1580 NE ARG A 104 -2.322 -14.300 -4.337 1.00 0.00 N ATOM 1581 CZ ARG A 104 -2.095 -15.560 -3.974 1.00 0.00 C ATOM 1582 NH1 ARG A 104 -3.011 -16.495 -4.192 1.00 0.00 N ATOM 1583 NH2 ARG A 104 -0.948 -15.886 -3.392 1.00 0.00 N ATOM 0 H ARG A 104 -4.738 -11.193 -6.487 1.00 0.00 H new ATOM 0 HA ARG A 104 -6.263 -12.664 -5.707 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -4.551 -11.955 -3.381 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -6.082 -12.703 -2.971 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -4.481 -14.465 -3.162 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -5.522 -14.579 -4.567 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -3.712 -14.443 -5.896 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -3.427 -12.814 -5.314 1.00 0.00 H new ATOM 0 HE ARG A 104 -1.599 -13.607 -4.144 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -3.894 -16.249 -4.640 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -2.832 -17.459 -3.912 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -0.241 -15.171 -3.223 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -0.774 -16.852 -3.114 1.00 0.00 H new ATOM 1597 N SER A 105 -7.560 -10.074 -5.224 1.00 0.00 N ATOM 1598 CA SER A 105 -8.710 -9.200 -4.964 1.00 0.00 C ATOM 1599 C SER A 105 -8.221 -7.758 -4.978 1.00 0.00 C ATOM 1600 O SER A 105 -7.021 -7.516 -4.847 1.00 0.00 O ATOM 1601 CB SER A 105 -9.390 -9.510 -3.629 1.00 0.00 C ATOM 1602 OG SER A 105 -10.181 -10.684 -3.719 1.00 0.00 O ATOM 0 H SER A 105 -6.983 -9.753 -6.002 1.00 0.00 H new ATOM 0 HA SER A 105 -9.457 -9.368 -5.740 1.00 0.00 H new ATOM 0 HB2 SER A 105 -8.635 -9.635 -2.853 1.00 0.00 H new ATOM 0 HB3 SER A 105 -10.016 -8.668 -3.332 1.00 0.00 H new ATOM 0 HG SER A 105 -9.633 -11.465 -3.495 1.00 0.00 H new ATOM 1608 N ASP A 106 -9.120 -6.794 -5.159 1.00 0.00 N ATOM 1609 CA ASP A 106 -8.697 -5.405 -5.208 1.00 0.00 C ATOM 1610 C ASP A 106 -9.038 -4.652 -3.926 1.00 0.00 C ATOM 1611 O ASP A 106 -10.166 -4.206 -3.746 1.00 0.00 O ATOM 1612 CB ASP A 106 -9.392 -4.728 -6.386 1.00 0.00 C ATOM 1613 CG ASP A 106 -8.625 -4.873 -7.684 1.00 0.00 C ATOM 1614 OD1 ASP A 106 -8.168 -5.996 -7.980 1.00 0.00 O ATOM 1615 OD2 ASP A 106 -8.490 -3.867 -8.410 1.00 0.00 O ATOM 0 H ASP A 106 -10.122 -6.947 -5.271 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.613 -5.384 -5.322 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -10.388 -5.155 -6.508 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -9.524 -3.669 -6.164 1.00 0.00 H new ATOM 1620 N GLN A 107 -8.034 -4.474 -3.066 1.00 0.00 N ATOM 1621 CA GLN A 107 -8.193 -3.724 -1.822 1.00 0.00 C ATOM 1622 C GLN A 107 -6.833 -3.474 -1.173 1.00 0.00 C ATOM 1623 O GLN A 107 -5.868 -4.179 -1.467 1.00 0.00 O ATOM 1624 CB GLN A 107 -9.150 -4.429 -0.875 1.00 0.00 C ATOM 1625 CG GLN A 107 -10.566 -3.872 -0.944 1.00 0.00 C ATOM 1626 CD GLN A 107 -11.614 -4.870 -0.503 1.00 0.00 C ATOM 1627 OE1 GLN A 107 -12.518 -5.219 -1.261 1.00 0.00 O ATOM 1628 NE2 GLN A 107 -11.489 -5.334 0.727 1.00 0.00 N ATOM 0 H GLN A 107 -7.094 -4.843 -3.212 1.00 0.00 H new ATOM 0 HA GLN A 107 -8.633 -2.755 -2.056 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.171 -5.493 -1.112 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.778 -4.337 0.145 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -10.632 -2.983 -0.317 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -10.778 -3.558 -1.966 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -10.721 -5.014 1.317 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -12.160 -6.013 1.087 1.00 0.00 H new ATOM 1637 N MET A 108 -6.747 -2.485 -0.287 1.00 0.00 N ATOM 1638 CA MET A 108 -5.480 -2.190 0.381 1.00 0.00 C ATOM 1639 C MET A 108 -5.669 -1.424 1.685 1.00 0.00 C ATOM 1640 O MET A 108 -6.643 -0.692 1.860 1.00 0.00 O ATOM 1641 CB MET A 108 -4.567 -1.385 -0.541 1.00 0.00 C ATOM 1642 CG MET A 108 -3.088 -1.522 -0.212 1.00 0.00 C ATOM 1643 SD MET A 108 -2.395 -3.091 -0.761 1.00 0.00 S ATOM 1644 CE MET A 108 -2.877 -4.187 0.571 1.00 0.00 C ATOM 0 H MET A 108 -7.525 -1.883 -0.017 1.00 0.00 H new ATOM 0 HA MET A 108 -5.024 -3.151 0.619 1.00 0.00 H new ATOM 0 HB2 MET A 108 -4.732 -1.705 -1.570 1.00 0.00 H new ATOM 0 HB3 MET A 108 -4.846 -0.333 -0.485 1.00 0.00 H new ATOM 0 HG2 MET A 108 -2.539 -0.704 -0.679 1.00 0.00 H new ATOM 0 HG3 MET A 108 -2.949 -1.425 0.865 1.00 0.00 H new ATOM 0 HE1 MET A 108 -2.025 -4.800 0.864 1.00 0.00 H new ATOM 0 HE2 MET A 108 -3.211 -3.597 1.425 1.00 0.00 H new ATOM 0 HE3 MET A 108 -3.689 -4.832 0.236 1.00 0.00 H new ATOM 1654 N THR A 109 -4.703 -1.589 2.587 1.00 0.00 N ATOM 1655 CA THR A 109 -4.713 -0.908 3.874 1.00 0.00 C ATOM 1656 C THR A 109 -3.528 0.053 3.962 1.00 0.00 C ATOM 1657 O THR A 109 -2.597 -0.025 3.161 1.00 0.00 O ATOM 1658 CB THR A 109 -4.669 -1.916 5.037 1.00 0.00 C ATOM 1659 OG1 THR A 109 -3.408 -1.902 5.683 1.00 0.00 O ATOM 1660 CG2 THR A 109 -4.950 -3.342 4.618 1.00 0.00 C ATOM 0 H THR A 109 -3.896 -2.196 2.444 1.00 0.00 H new ATOM 0 HA THR A 109 -5.641 -0.343 3.955 1.00 0.00 H new ATOM 0 HB THR A 109 -5.460 -1.590 5.712 1.00 0.00 H new ATOM 0 HG1 THR A 109 -2.715 -2.194 5.054 1.00 0.00 H new ATOM 0 HG21 THR A 109 -4.902 -3.994 5.490 1.00 0.00 H new ATOM 0 HG22 THR A 109 -5.944 -3.402 4.175 1.00 0.00 H new ATOM 0 HG23 THR A 109 -4.207 -3.659 3.886 1.00 0.00 H new ATOM 1668 N LEU A 110 -3.565 0.957 4.933 1.00 0.00 N ATOM 1669 CA LEU A 110 -2.490 1.931 5.117 1.00 0.00 C ATOM 1670 C LEU A 110 -1.118 1.245 5.160 1.00 0.00 C ATOM 1671 O LEU A 110 -0.217 1.587 4.386 1.00 0.00 O ATOM 1672 CB LEU A 110 -2.725 2.734 6.405 1.00 0.00 C ATOM 1673 CG LEU A 110 -2.856 4.253 6.240 1.00 0.00 C ATOM 1674 CD1 LEU A 110 -1.499 4.880 5.987 1.00 0.00 C ATOM 1675 CD2 LEU A 110 -3.823 4.602 5.127 1.00 0.00 C ATOM 0 H LEU A 110 -4.327 1.038 5.607 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.497 2.610 4.265 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.632 2.361 6.881 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.901 2.533 7.089 1.00 0.00 H new ATOM 0 HG LEU A 110 -3.257 4.659 7.169 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.612 5.958 5.872 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -0.839 4.672 6.829 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -1.069 4.462 5.077 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -3.895 5.686 5.034 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.465 4.180 4.188 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -4.806 4.192 5.357 1.00 0.00 H new ATOM 1687 N GLN A 111 -0.961 0.284 6.073 1.00 0.00 N ATOM 1688 CA GLN A 111 0.306 -0.437 6.224 1.00 0.00 C ATOM 1689 C GLN A 111 0.840 -0.948 4.884 1.00 0.00 C ATOM 1690 O GLN A 111 1.892 -0.511 4.419 1.00 0.00 O ATOM 1691 CB GLN A 111 0.142 -1.614 7.194 1.00 0.00 C ATOM 1692 CG GLN A 111 1.327 -2.575 7.204 1.00 0.00 C ATOM 1693 CD GLN A 111 2.531 -2.026 7.949 1.00 0.00 C ATOM 1694 OE1 GLN A 111 3.129 -0.965 7.417 1.00 0.00 O flip ATOM 1695 NE2 GLN A 111 2.919 -2.551 8.993 1.00 0.00 N flip ATOM 0 H GLN A 111 -1.693 -0.013 6.718 1.00 0.00 H new ATOM 0 HA GLN A 111 1.030 0.271 6.627 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -0.006 -1.224 8.201 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -0.760 -2.167 6.930 1.00 0.00 H new ATOM 0 HG2 GLN A 111 1.021 -3.515 7.662 1.00 0.00 H new ATOM 0 HG3 GLN A 111 1.614 -2.800 6.177 1.00 0.00 H new ATOM 0 HE21 GLN A 111 2.431 -3.365 9.367 1.00 0.00 H new ATOM 0 HE22 GLN A 111 3.729 -2.172 9.484 1.00 0.00 H new ATOM 1704 N ASP A 112 0.116 -1.886 4.275 1.00 0.00 N ATOM 1705 CA ASP A 112 0.532 -2.468 2.993 1.00 0.00 C ATOM 1706 C ASP A 112 0.883 -1.379 1.994 1.00 0.00 C ATOM 1707 O ASP A 112 1.994 -1.341 1.459 1.00 0.00 O ATOM 1708 CB ASP A 112 -0.558 -3.372 2.397 1.00 0.00 C ATOM 1709 CG ASP A 112 -1.784 -3.500 3.276 1.00 0.00 C ATOM 1710 OD1 ASP A 112 -2.475 -2.481 3.474 1.00 0.00 O ATOM 1711 OD2 ASP A 112 -2.048 -4.616 3.770 1.00 0.00 O ATOM 0 H ASP A 112 -0.758 -2.260 4.644 1.00 0.00 H new ATOM 0 HA ASP A 112 1.414 -3.076 3.193 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -0.856 -2.976 1.426 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -0.141 -4.364 2.222 1.00 0.00 H new ATOM 1716 N ALA A 113 -0.075 -0.496 1.746 1.00 0.00 N ATOM 1717 CA ALA A 113 0.120 0.603 0.812 1.00 0.00 C ATOM 1718 C ALA A 113 1.519 1.203 0.962 1.00 0.00 C ATOM 1719 O ALA A 113 2.281 1.293 -0.006 1.00 0.00 O ATOM 1720 CB ALA A 113 -0.940 1.673 1.030 1.00 0.00 C ATOM 0 H ALA A 113 -0.997 -0.520 2.181 1.00 0.00 H new ATOM 0 HA ALA A 113 0.024 0.213 -0.201 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -0.783 2.490 0.325 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -1.929 1.243 0.873 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -0.868 2.054 2.049 1.00 0.00 H new ATOM 1726 N LYS A 114 1.854 1.601 2.189 1.00 0.00 N ATOM 1727 CA LYS A 114 3.161 2.184 2.467 1.00 0.00 C ATOM 1728 C LYS A 114 4.269 1.151 2.301 1.00 0.00 C ATOM 1729 O LYS A 114 5.372 1.486 1.891 1.00 0.00 O ATOM 1730 CB LYS A 114 3.192 2.799 3.873 1.00 0.00 C ATOM 1731 CG LYS A 114 3.743 1.890 4.968 1.00 0.00 C ATOM 1732 CD LYS A 114 2.838 1.879 6.185 1.00 0.00 C ATOM 1733 CE LYS A 114 2.581 3.275 6.710 1.00 0.00 C ATOM 1734 NZ LYS A 114 1.347 3.861 6.127 1.00 0.00 N ATOM 0 H LYS A 114 1.240 1.530 3.001 1.00 0.00 H new ATOM 0 HA LYS A 114 3.336 2.980 1.743 1.00 0.00 H new ATOM 0 HB2 LYS A 114 3.793 3.708 3.841 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.179 3.096 4.145 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.849 0.876 4.582 1.00 0.00 H new ATOM 0 HG3 LYS A 114 4.739 2.227 5.256 1.00 0.00 H new ATOM 0 HD2 LYS A 114 1.889 1.408 5.928 1.00 0.00 H new ATOM 0 HD3 LYS A 114 3.292 1.274 6.970 1.00 0.00 H new ATOM 0 HE2 LYS A 114 2.492 3.245 7.796 1.00 0.00 H new ATOM 0 HE3 LYS A 114 3.433 3.914 6.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 1.071 4.702 6.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 1.525 4.132 5.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 0.580 3.160 6.161 1.00 0.00 H new ATOM 1748 N VAL A 115 3.973 -0.106 2.619 1.00 0.00 N ATOM 1749 CA VAL A 115 4.961 -1.173 2.490 1.00 0.00 C ATOM 1750 C VAL A 115 5.533 -1.210 1.079 1.00 0.00 C ATOM 1751 O VAL A 115 6.742 -1.023 0.858 1.00 0.00 O ATOM 1752 CB VAL A 115 4.341 -2.550 2.798 1.00 0.00 C ATOM 1753 CG1 VAL A 115 5.298 -3.672 2.424 1.00 0.00 C ATOM 1754 CG2 VAL A 115 3.949 -2.644 4.258 1.00 0.00 C ATOM 0 H VAL A 115 3.063 -0.410 2.966 1.00 0.00 H new ATOM 0 HA VAL A 115 5.753 -0.963 3.209 1.00 0.00 H new ATOM 0 HB VAL A 115 3.440 -2.659 2.194 1.00 0.00 H new ATOM 0 HG11 VAL A 115 4.838 -4.634 2.651 1.00 0.00 H new ATOM 0 HG12 VAL A 115 5.522 -3.619 1.359 1.00 0.00 H new ATOM 0 HG13 VAL A 115 6.221 -3.568 2.994 1.00 0.00 H new ATOM 0 HG21 VAL A 115 3.513 -3.623 4.455 1.00 0.00 H new ATOM 0 HG22 VAL A 115 4.833 -2.508 4.881 1.00 0.00 H new ATOM 0 HG23 VAL A 115 3.219 -1.869 4.489 1.00 0.00 H new ATOM 1764 N LEU A 116 4.649 -1.455 0.123 1.00 0.00 N ATOM 1765 CA LEU A 116 5.046 -1.530 -1.262 1.00 0.00 C ATOM 1766 C LEU A 116 5.609 -0.204 -1.715 1.00 0.00 C ATOM 1767 O LEU A 116 6.625 -0.164 -2.396 1.00 0.00 O ATOM 1768 CB LEU A 116 3.859 -1.924 -2.139 1.00 0.00 C ATOM 1769 CG LEU A 116 3.070 -3.160 -1.682 1.00 0.00 C ATOM 1770 CD1 LEU A 116 3.893 -4.035 -0.749 1.00 0.00 C ATOM 1771 CD2 LEU A 116 1.768 -2.749 -1.010 1.00 0.00 C ATOM 0 H LEU A 116 3.654 -1.604 0.288 1.00 0.00 H new ATOM 0 HA LEU A 116 5.818 -2.293 -1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 116 3.174 -1.078 -2.191 1.00 0.00 H new ATOM 0 HB3 LEU A 116 4.223 -2.102 -3.151 1.00 0.00 H new ATOM 0 HG LEU A 116 2.836 -3.746 -2.571 1.00 0.00 H new ATOM 0 HD11 LEU A 116 3.303 -4.900 -0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.792 -4.372 -1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 116 4.175 -3.461 0.134 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.225 -3.640 -0.694 1.00 0.00 H new ATOM 0 HD22 LEU A 116 1.987 -2.130 -0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.158 -2.183 -1.714 1.00 0.00 H new ATOM 1783 N LEU A 117 4.950 0.882 -1.328 1.00 0.00 N ATOM 1784 CA LEU A 117 5.414 2.206 -1.704 1.00 0.00 C ATOM 1785 C LEU A 117 6.731 2.531 -1.040 1.00 0.00 C ATOM 1786 O LEU A 117 7.480 3.386 -1.512 1.00 0.00 O ATOM 1787 CB LEU A 117 4.362 3.256 -1.374 1.00 0.00 C ATOM 1788 CG LEU A 117 3.412 3.539 -2.523 1.00 0.00 C ATOM 1789 CD1 LEU A 117 2.115 2.764 -2.352 1.00 0.00 C ATOM 1790 CD2 LEU A 117 3.141 5.028 -2.637 1.00 0.00 C ATOM 0 H LEU A 117 4.103 0.870 -0.761 1.00 0.00 H new ATOM 0 HA LEU A 117 5.577 2.214 -2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 117 3.787 2.924 -0.510 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.861 4.182 -1.088 1.00 0.00 H new ATOM 0 HG LEU A 117 3.884 3.207 -3.448 1.00 0.00 H new ATOM 0 HD11 LEU A 117 1.448 2.982 -3.187 1.00 0.00 H new ATOM 0 HD12 LEU A 117 2.330 1.696 -2.328 1.00 0.00 H new ATOM 0 HD13 LEU A 117 1.636 3.058 -1.418 1.00 0.00 H new ATOM 0 HD21 LEU A 117 2.458 5.211 -3.466 1.00 0.00 H new ATOM 0 HD22 LEU A 117 2.692 5.388 -1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 117 4.078 5.556 -2.815 1.00 0.00 H new ATOM 1802 N GLU A 118 7.041 1.807 0.017 1.00 0.00 N ATOM 1803 CA GLU A 118 8.302 1.988 0.688 1.00 0.00 C ATOM 1804 C GLU A 118 9.351 1.441 -0.241 1.00 0.00 C ATOM 1805 O GLU A 118 10.289 2.135 -0.640 1.00 0.00 O ATOM 1806 CB GLU A 118 8.336 1.242 2.027 1.00 0.00 C ATOM 1807 CG GLU A 118 9.475 1.676 2.935 1.00 0.00 C ATOM 1808 CD GLU A 118 9.130 1.548 4.406 1.00 0.00 C ATOM 1809 OE1 GLU A 118 7.980 1.868 4.776 1.00 0.00 O ATOM 1810 OE2 GLU A 118 10.008 1.127 5.188 1.00 0.00 O ATOM 0 H GLU A 118 6.437 1.093 0.424 1.00 0.00 H new ATOM 0 HA GLU A 118 8.471 3.041 0.915 1.00 0.00 H new ATOM 0 HB2 GLU A 118 7.390 1.398 2.545 1.00 0.00 H new ATOM 0 HB3 GLU A 118 8.422 0.172 1.836 1.00 0.00 H new ATOM 0 HG2 GLU A 118 10.357 1.073 2.719 1.00 0.00 H new ATOM 0 HG3 GLU A 118 9.735 2.711 2.716 1.00 0.00 H new ATOM 1817 N ALA A 119 9.139 0.193 -0.635 1.00 0.00 N ATOM 1818 CA ALA A 119 10.037 -0.454 -1.567 1.00 0.00 C ATOM 1819 C ALA A 119 9.907 0.160 -2.952 1.00 0.00 C ATOM 1820 O ALA A 119 10.794 0.022 -3.790 1.00 0.00 O ATOM 1821 CB ALA A 119 9.782 -1.951 -1.611 1.00 0.00 C ATOM 0 H ALA A 119 8.358 -0.384 -0.324 1.00 0.00 H new ATOM 0 HA ALA A 119 11.059 -0.297 -1.221 1.00 0.00 H new ATOM 0 HB1 ALA A 119 10.469 -2.416 -2.318 1.00 0.00 H new ATOM 0 HB2 ALA A 119 9.939 -2.376 -0.620 1.00 0.00 H new ATOM 0 HB3 ALA A 119 8.755 -2.136 -1.927 1.00 0.00 H new ATOM 1827 N ALA A 120 8.801 0.850 -3.184 1.00 0.00 N ATOM 1828 CA ALA A 120 8.564 1.491 -4.460 1.00 0.00 C ATOM 1829 C ALA A 120 9.320 2.796 -4.543 1.00 0.00 C ATOM 1830 O ALA A 120 10.196 2.971 -5.388 1.00 0.00 O ATOM 1831 CB ALA A 120 7.085 1.743 -4.668 1.00 0.00 C ATOM 0 H ALA A 120 8.054 0.978 -2.501 1.00 0.00 H new ATOM 0 HA ALA A 120 8.919 0.823 -5.244 1.00 0.00 H new ATOM 0 HB1 ALA A 120 6.930 2.225 -5.633 1.00 0.00 H new ATOM 0 HB2 ALA A 120 6.548 0.795 -4.646 1.00 0.00 H new ATOM 0 HB3 ALA A 120 6.711 2.390 -3.875 1.00 0.00 H new ATOM 1837 N LEU A 121 8.970 3.719 -3.660 1.00 0.00 N ATOM 1838 CA LEU A 121 9.616 5.011 -3.646 1.00 0.00 C ATOM 1839 C LEU A 121 11.118 4.857 -3.401 1.00 0.00 C ATOM 1840 O LEU A 121 11.901 5.722 -3.780 1.00 0.00 O ATOM 1841 CB LEU A 121 8.967 5.934 -2.608 1.00 0.00 C ATOM 1842 CG LEU A 121 9.677 6.043 -1.259 1.00 0.00 C ATOM 1843 CD1 LEU A 121 9.917 7.500 -0.891 1.00 0.00 C ATOM 1844 CD2 LEU A 121 8.849 5.356 -0.204 1.00 0.00 C ATOM 0 H LEU A 121 8.247 3.594 -2.951 1.00 0.00 H new ATOM 0 HA LEU A 121 9.484 5.475 -4.623 1.00 0.00 H new ATOM 0 HB2 LEU A 121 8.894 6.933 -3.037 1.00 0.00 H new ATOM 0 HB3 LEU A 121 7.949 5.587 -2.431 1.00 0.00 H new ATOM 0 HG LEU A 121 10.649 5.555 -1.326 1.00 0.00 H new ATOM 0 HD11 LEU A 121 10.423 7.553 0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 121 10.538 7.970 -1.654 1.00 0.00 H new ATOM 0 HD13 LEU A 121 8.962 8.021 -0.828 1.00 0.00 H new ATOM 0 HD21 LEU A 121 9.352 5.432 0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 121 7.871 5.833 -0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 121 8.724 4.306 -0.467 1.00 0.00 H new ATOM 1856 N ARG A 122 11.514 3.753 -2.757 1.00 0.00 N ATOM 1857 CA ARG A 122 12.927 3.507 -2.469 1.00 0.00 C ATOM 1858 C ARG A 122 13.631 2.799 -3.632 1.00 0.00 C ATOM 1859 O ARG A 122 14.773 3.121 -3.959 1.00 0.00 O ATOM 1860 CB ARG A 122 13.073 2.699 -1.169 1.00 0.00 C ATOM 1861 CG ARG A 122 13.920 1.442 -1.295 1.00 0.00 C ATOM 1862 CD ARG A 122 13.621 0.444 -0.188 1.00 0.00 C ATOM 1863 NE ARG A 122 14.789 0.193 0.653 1.00 0.00 N ATOM 1864 CZ ARG A 122 14.932 -0.884 1.422 1.00 0.00 C ATOM 1865 NH1 ARG A 122 13.982 -1.810 1.465 1.00 0.00 N ATOM 1866 NH2 ARG A 122 16.029 -1.036 2.152 1.00 0.00 N ATOM 0 H ARG A 122 10.881 3.024 -2.429 1.00 0.00 H new ATOM 0 HA ARG A 122 13.413 4.474 -2.339 1.00 0.00 H new ATOM 0 HB2 ARG A 122 13.511 3.341 -0.405 1.00 0.00 H new ATOM 0 HB3 ARG A 122 12.080 2.418 -0.818 1.00 0.00 H new ATOM 0 HG2 ARG A 122 13.737 0.976 -2.263 1.00 0.00 H new ATOM 0 HG3 ARG A 122 14.976 1.711 -1.266 1.00 0.00 H new ATOM 0 HD2 ARG A 122 12.805 0.820 0.428 1.00 0.00 H new ATOM 0 HD3 ARG A 122 13.282 -0.494 -0.627 1.00 0.00 H new ATOM 0 HE ARG A 122 15.539 0.884 0.651 1.00 0.00 H new ATOM 0 HH11 ARG A 122 13.136 -1.699 0.907 1.00 0.00 H new ATOM 0 HH12 ARG A 122 14.098 -2.633 2.056 1.00 0.00 H new ATOM 0 HH21 ARG A 122 16.762 -0.328 2.124 1.00 0.00 H new ATOM 0 HH22 ARG A 122 16.139 -1.861 2.741 1.00 0.00 H new ATOM 1880 N GLN A 123 12.963 1.818 -4.232 1.00 0.00 N ATOM 1881 CA GLN A 123 13.556 1.057 -5.329 1.00 0.00 C ATOM 1882 C GLN A 123 13.375 1.745 -6.682 1.00 0.00 C ATOM 1883 O GLN A 123 14.199 1.577 -7.582 1.00 0.00 O ATOM 1884 CB GLN A 123 12.955 -0.350 -5.380 1.00 0.00 C ATOM 1885 CG GLN A 123 13.901 -1.403 -5.935 1.00 0.00 C ATOM 1886 CD GLN A 123 14.362 -1.096 -7.346 1.00 0.00 C ATOM 1887 OE1 GLN A 123 13.559 -1.048 -8.277 1.00 0.00 O ATOM 1888 NE2 GLN A 123 15.663 -0.886 -7.510 1.00 0.00 N ATOM 0 H GLN A 123 12.017 1.532 -3.980 1.00 0.00 H new ATOM 0 HA GLN A 123 14.627 0.996 -5.133 1.00 0.00 H new ATOM 0 HB2 GLN A 123 12.652 -0.642 -4.375 1.00 0.00 H new ATOM 0 HB3 GLN A 123 12.053 -0.327 -5.991 1.00 0.00 H new ATOM 0 HG2 GLN A 123 14.771 -1.483 -5.283 1.00 0.00 H new ATOM 0 HG3 GLN A 123 13.404 -2.373 -5.923 1.00 0.00 H new ATOM 0 HE21 GLN A 123 16.293 -0.936 -6.709 1.00 0.00 H new ATOM 0 HE22 GLN A 123 16.033 -0.675 -8.437 1.00 0.00 H new ATOM 1897 N GLU A 124 12.295 2.503 -6.838 1.00 0.00 N ATOM 1898 CA GLU A 124 12.030 3.179 -8.109 1.00 0.00 C ATOM 1899 C GLU A 124 12.536 4.615 -8.123 1.00 0.00 C ATOM 1900 O GLU A 124 13.430 4.964 -8.893 1.00 0.00 O ATOM 1901 CB GLU A 124 10.531 3.190 -8.413 1.00 0.00 C ATOM 1902 CG GLU A 124 9.797 1.929 -7.980 1.00 0.00 C ATOM 1903 CD GLU A 124 9.855 0.834 -9.027 1.00 0.00 C ATOM 1904 OE1 GLU A 124 9.495 1.108 -10.192 1.00 0.00 O ATOM 1905 OE2 GLU A 124 10.260 -0.296 -8.684 1.00 0.00 O ATOM 0 H GLU A 124 11.596 2.665 -6.113 1.00 0.00 H new ATOM 0 HA GLU A 124 12.568 2.615 -8.871 1.00 0.00 H new ATOM 0 HB2 GLU A 124 10.078 4.049 -7.918 1.00 0.00 H new ATOM 0 HB3 GLU A 124 10.390 3.329 -9.485 1.00 0.00 H new ATOM 0 HG2 GLU A 124 10.231 1.561 -7.050 1.00 0.00 H new ATOM 0 HG3 GLU A 124 8.755 2.173 -7.771 1.00 0.00 H new ATOM 1912 N SER A 125 11.929 5.449 -7.291 1.00 0.00 N ATOM 1913 CA SER A 125 12.284 6.859 -7.228 1.00 0.00 C ATOM 1914 C SER A 125 13.294 7.156 -6.124 1.00 0.00 C ATOM 1915 O SER A 125 13.741 8.292 -5.986 1.00 0.00 O ATOM 1916 CB SER A 125 11.019 7.693 -7.016 1.00 0.00 C ATOM 1917 OG SER A 125 10.886 8.682 -8.022 1.00 0.00 O ATOM 0 H SER A 125 11.186 5.172 -6.649 1.00 0.00 H new ATOM 0 HA SER A 125 12.756 7.124 -8.174 1.00 0.00 H new ATOM 0 HB2 SER A 125 10.145 7.042 -7.024 1.00 0.00 H new ATOM 0 HB3 SER A 125 11.053 8.169 -6.036 1.00 0.00 H new ATOM 0 HG SER A 125 10.069 9.200 -7.865 1.00 0.00 H new