USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 662 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 57 SER OG : rot -163:sc= 0.202 USER MOD Set 1.2: A3288 GLN : amide:sc= -0.0976 K(o=0.1,f=-1.5) USER MOD Set 2.1: A 13 GLN : amide:sc= 0.601 K(o=0.79,f=-0.65) USER MOD Set 2.2: A 17 GLN : amide:sc= 0.186 X(o=0.79,f=0.41) USER MOD Single : A 1 MET CE :methyl -179:sc= 0 (180deg=-0.00751) USER MOD Single : A 1 MET N :NH3+ -169:sc= 0 (180deg=-0.0802) USER MOD Single : A 2 ASN : amide:sc= -0.038 X(o=-0.038,f=-0.35) USER MOD Single : A 4 ASN : amide:sc= 0.33 K(o=0.33,f=-1.4) USER MOD Single : A 6 GLN :FLIP amide:sc= -0.58 F(o=-1.9,f=-0.58) USER MOD Single : A 7 THR OG1 : rot 118:sc= 0.972 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00679) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 ASN : amide:sc= 0.812 K(o=0.81,f=0) USER MOD Single : A 27 SER OG : rot -26:sc= 0.0444 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0309) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 170:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -1:sc= 0.614 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 22:sc= 0.156 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc=-8.22e-06 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A3291 THR OG1 : rot -43:sc= 0.1 USER MOD Single : A3295 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A3299 SER OG : rot 56:sc= 0.788 USER MOD Single : A3301 GLN : amide:sc= -0.763! C(o=-0.76!,f=-6.2!) USER MOD Single : A3302 LYS NZ :NH3+ 178:sc= 1 (180deg=0.999) USER MOD Single : A3306 ASN : amide:sc= 0.0539 X(o=0.054,f=0) USER MOD Single : A3308 SER OG : rot 180:sc= 0 USER MOD Single : A3315 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A3317 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A3320 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A3321 GLN : amide:sc= 1.13 K(o=1.1,f=-0.0038) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -27.311 7.455 -6.063 1.00 0.00 N ATOM 2 CA MET A 1 -27.285 8.924 -6.072 1.00 0.00 C ATOM 3 C MET A 1 -25.972 9.424 -5.505 1.00 0.00 C ATOM 4 O MET A 1 -25.255 10.168 -6.177 1.00 0.00 O ATOM 5 CB MET A 1 -28.435 9.574 -5.286 1.00 0.00 C ATOM 6 CG MET A 1 -29.801 8.951 -5.560 1.00 0.00 C ATOM 7 SD MET A 1 -31.222 9.921 -4.974 1.00 0.00 S ATOM 8 CE MET A 1 -30.875 10.044 -3.198 1.00 0.00 C ATOM 0 H1 MET A 1 -28.124 7.119 -6.618 1.00 0.00 H new ATOM 0 H2 MET A 1 -26.432 7.090 -6.481 1.00 0.00 H new ATOM 0 H3 MET A 1 -27.396 7.115 -5.084 1.00 0.00 H new ATOM 0 HA MET A 1 -27.403 9.213 -7.116 1.00 0.00 H new ATOM 0 HB2 MET A 1 -28.220 9.501 -4.220 1.00 0.00 H new ATOM 0 HB3 MET A 1 -28.475 10.635 -5.531 1.00 0.00 H new ATOM 0 HG2 MET A 1 -29.904 8.797 -6.634 1.00 0.00 H new ATOM 0 HG3 MET A 1 -29.835 7.967 -5.092 1.00 0.00 H new ATOM 0 HE1 MET A 1 -31.675 10.599 -2.708 1.00 0.00 H new ATOM 0 HE2 MET A 1 -30.812 9.044 -2.769 1.00 0.00 H new ATOM 0 HE3 MET A 1 -29.929 10.563 -3.047 1.00 0.00 H new ATOM 18 N ASN A 2 -25.682 9.082 -4.242 1.00 0.00 N ATOM 19 CA ASN A 2 -24.461 9.531 -3.606 1.00 0.00 C ATOM 20 C ASN A 2 -23.258 8.931 -4.318 1.00 0.00 C ATOM 21 O ASN A 2 -23.292 7.776 -4.752 1.00 0.00 O ATOM 22 CB ASN A 2 -24.460 9.261 -2.096 1.00 0.00 C ATOM 23 CG ASN A 2 -25.048 10.457 -1.361 1.00 0.00 C ATOM 24 OD1 ASN A 2 -24.559 11.577 -1.490 1.00 0.00 O ATOM 25 ND2 ASN A 2 -26.115 10.284 -0.618 1.00 0.00 N ATOM 0 H ASN A 2 -26.279 8.500 -3.654 1.00 0.00 H new ATOM 0 HA ASN A 2 -24.397 10.615 -3.701 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -25.041 8.365 -1.877 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -23.443 9.074 -1.751 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -26.542 11.081 -0.145 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -26.518 9.353 -0.513 1.00 0.00 H new ATOM 32 N ILE A 3 -22.196 9.727 -4.415 1.00 0.00 N ATOM 33 CA ILE A 3 -20.964 9.342 -5.082 1.00 0.00 C ATOM 34 C ILE A 3 -20.355 8.080 -4.476 1.00 0.00 C ATOM 35 O ILE A 3 -20.364 7.852 -3.260 1.00 0.00 O ATOM 36 CB ILE A 3 -20.008 10.552 -5.134 1.00 0.00 C ATOM 37 CG1 ILE A 3 -18.987 10.474 -6.281 1.00 0.00 C ATOM 38 CG2 ILE A 3 -19.287 10.775 -3.796 1.00 0.00 C ATOM 39 CD1 ILE A 3 -19.627 10.404 -7.672 1.00 0.00 C ATOM 0 H ILE A 3 -22.171 10.670 -4.026 1.00 0.00 H new ATOM 0 HA ILE A 3 -21.178 9.063 -6.114 1.00 0.00 H new ATOM 0 HB ILE A 3 -20.648 11.412 -5.332 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -18.334 11.346 -6.235 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -18.357 9.596 -6.136 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -18.625 11.637 -3.879 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -20.022 10.957 -3.012 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -18.702 9.890 -3.546 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -18.845 10.351 -8.430 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -20.257 9.517 -7.738 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -20.234 11.294 -7.838 1.00 0.00 H new ATOM 51 N ASN A 4 -19.726 7.308 -5.352 1.00 0.00 N ATOM 52 CA ASN A 4 -19.081 6.041 -5.070 1.00 0.00 C ATOM 53 C ASN A 4 -17.571 6.117 -5.276 1.00 0.00 C ATOM 54 O ASN A 4 -16.858 5.917 -4.301 1.00 0.00 O ATOM 55 CB ASN A 4 -19.787 4.940 -5.871 1.00 0.00 C ATOM 56 CG ASN A 4 -19.759 5.256 -7.354 1.00 0.00 C ATOM 57 OD1 ASN A 4 -20.457 6.148 -7.822 1.00 0.00 O ATOM 58 ND2 ASN A 4 -18.858 4.651 -8.086 1.00 0.00 N ATOM 0 H ASN A 4 -19.650 7.569 -6.335 1.00 0.00 H new ATOM 0 HA ASN A 4 -19.185 5.786 -4.015 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -19.301 3.982 -5.689 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -20.819 4.843 -5.534 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -18.729 4.920 -9.061 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -18.285 3.911 -7.681 1.00 0.00 H new ATOM 65 N GLU A 5 -17.070 6.529 -6.445 1.00 0.00 N ATOM 66 CA GLU A 5 -15.622 6.607 -6.726 1.00 0.00 C ATOM 67 C GLU A 5 -14.891 7.528 -5.744 1.00 0.00 C ATOM 68 O GLU A 5 -13.790 7.239 -5.284 1.00 0.00 O ATOM 69 CB GLU A 5 -15.354 7.101 -8.153 1.00 0.00 C ATOM 70 CG GLU A 5 -15.706 6.064 -9.230 1.00 0.00 C ATOM 71 CD GLU A 5 -16.738 6.635 -10.192 1.00 0.00 C ATOM 72 OE1 GLU A 5 -16.368 7.279 -11.199 1.00 0.00 O ATOM 73 OE2 GLU A 5 -17.950 6.545 -9.902 1.00 0.00 O ATOM 0 H GLU A 5 -17.654 6.820 -7.229 1.00 0.00 H new ATOM 0 HA GLU A 5 -15.239 5.593 -6.610 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -15.931 8.009 -8.330 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -14.301 7.369 -8.246 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.808 5.778 -9.777 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -16.096 5.160 -8.761 1.00 0.00 H new ATOM 80 N GLN A 6 -15.530 8.637 -5.388 1.00 0.00 N ATOM 81 CA GLN A 6 -14.963 9.615 -4.468 1.00 0.00 C ATOM 82 C GLN A 6 -14.988 9.092 -3.035 1.00 0.00 C ATOM 83 O GLN A 6 -14.212 9.549 -2.197 1.00 0.00 O ATOM 84 CB GLN A 6 -15.641 10.974 -4.649 1.00 0.00 C ATOM 85 CG GLN A 6 -15.057 11.726 -5.856 1.00 0.00 C ATOM 86 CD GLN A 6 -15.114 10.972 -7.187 1.00 0.00 C ATOM 87 OE1 GLN A 6 -16.249 10.965 -7.864 1.00 0.00 O flip ATOM 88 NE2 GLN A 6 -14.121 10.417 -7.639 1.00 0.00 N flip ATOM 0 H GLN A 6 -16.459 8.883 -5.731 1.00 0.00 H new ATOM 0 HA GLN A 6 -13.910 9.770 -4.703 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -16.713 10.834 -4.788 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -15.512 11.572 -3.747 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -15.591 12.669 -5.969 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -14.017 11.972 -5.641 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -13.248 10.426 -7.112 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -14.167 9.946 -8.543 1.00 0.00 H new ATOM 97 N THR A 7 -15.929 8.203 -2.718 1.00 0.00 N ATOM 98 CA THR A 7 -16.023 7.611 -1.396 1.00 0.00 C ATOM 99 C THR A 7 -14.891 6.601 -1.217 1.00 0.00 C ATOM 100 O THR A 7 -14.335 6.578 -0.130 1.00 0.00 O ATOM 101 CB THR A 7 -17.376 6.935 -1.193 1.00 0.00 C ATOM 102 OG1 THR A 7 -18.392 7.926 -1.275 1.00 0.00 O ATOM 103 CG2 THR A 7 -17.436 6.215 0.157 1.00 0.00 C ATOM 0 H THR A 7 -16.642 7.878 -3.371 1.00 0.00 H new ATOM 0 HA THR A 7 -15.932 8.399 -0.648 1.00 0.00 H new ATOM 0 HB THR A 7 -17.525 6.183 -1.968 1.00 0.00 H new ATOM 0 HG1 THR A 7 -18.982 7.728 -2.032 1.00 0.00 H new ATOM 0 HG21 THR A 7 -18.411 5.743 0.274 1.00 0.00 H new ATOM 0 HG22 THR A 7 -16.657 5.454 0.198 1.00 0.00 H new ATOM 0 HG23 THR A 7 -17.283 6.935 0.961 1.00 0.00 H new ATOM 111 N LEU A 8 -14.450 5.878 -2.261 1.00 0.00 N ATOM 112 CA LEU A 8 -13.383 4.874 -2.228 1.00 0.00 C ATOM 113 C LEU A 8 -12.155 5.513 -1.591 1.00 0.00 C ATOM 114 O LEU A 8 -11.376 4.799 -0.988 1.00 0.00 O ATOM 115 CB LEU A 8 -12.982 4.393 -3.634 1.00 0.00 C ATOM 116 CG LEU A 8 -14.121 4.044 -4.601 1.00 0.00 C ATOM 117 CD1 LEU A 8 -13.565 3.589 -5.951 1.00 0.00 C ATOM 118 CD2 LEU A 8 -15.066 2.981 -4.050 1.00 0.00 C ATOM 0 H LEU A 8 -14.850 5.986 -3.193 1.00 0.00 H new ATOM 0 HA LEU A 8 -13.750 4.015 -1.666 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -12.371 5.168 -4.096 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -12.349 3.512 -3.523 1.00 0.00 H new ATOM 0 HG LEU A 8 -14.701 4.958 -4.731 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -14.390 3.347 -6.621 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -12.967 4.389 -6.387 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -12.942 2.706 -5.809 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -15.850 2.778 -4.780 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -14.508 2.066 -3.852 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -15.516 3.339 -3.124 1.00 0.00 H new ATOM 130 N ASP A 9 -11.964 6.828 -1.712 1.00 0.00 N ATOM 131 CA ASP A 9 -10.852 7.576 -1.129 1.00 0.00 C ATOM 132 C ASP A 9 -10.738 7.268 0.368 1.00 0.00 C ATOM 133 O ASP A 9 -9.636 6.985 0.842 1.00 0.00 O ATOM 134 CB ASP A 9 -11.129 9.061 -1.340 1.00 0.00 C ATOM 135 CG ASP A 9 -10.073 10.009 -0.773 1.00 0.00 C ATOM 136 OD1 ASP A 9 -10.476 11.136 -0.399 1.00 0.00 O ATOM 137 OD2 ASP A 9 -8.865 9.700 -0.755 1.00 0.00 O ATOM 0 H ASP A 9 -12.604 7.422 -2.239 1.00 0.00 H new ATOM 0 HA ASP A 9 -9.913 7.294 -1.605 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -11.224 9.248 -2.410 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -12.091 9.302 -0.887 1.00 0.00 H new ATOM 142 N LYS A 10 -11.858 7.219 1.113 1.00 0.00 N ATOM 143 CA LYS A 10 -11.773 6.913 2.548 1.00 0.00 C ATOM 144 C LYS A 10 -11.340 5.468 2.767 1.00 0.00 C ATOM 145 O LYS A 10 -10.784 5.137 3.814 1.00 0.00 O ATOM 146 CB LYS A 10 -13.082 7.208 3.314 1.00 0.00 C ATOM 147 CG LYS A 10 -14.182 6.138 3.158 1.00 0.00 C ATOM 148 CD LYS A 10 -15.446 6.422 3.966 1.00 0.00 C ATOM 149 CE LYS A 10 -15.384 5.782 5.359 1.00 0.00 C ATOM 150 NZ LYS A 10 -15.911 4.404 5.387 1.00 0.00 N ATOM 0 H LYS A 10 -12.801 7.382 0.759 1.00 0.00 H new ATOM 0 HA LYS A 10 -11.016 7.582 2.959 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -12.849 7.317 4.373 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -13.476 8.166 2.974 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -14.448 6.056 2.104 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -13.779 5.171 3.461 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -15.580 7.499 4.066 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -16.315 6.041 3.429 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -14.350 5.776 5.704 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -15.950 6.396 6.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -15.843 4.026 6.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -16.906 4.407 5.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -15.356 3.807 4.741 1.00 0.00 H new ATOM 164 N LEU A 11 -11.680 4.589 1.825 1.00 0.00 N ATOM 165 CA LEU A 11 -11.382 3.177 1.861 1.00 0.00 C ATOM 166 C LEU A 11 -9.910 2.947 1.546 1.00 0.00 C ATOM 167 O LEU A 11 -9.215 2.288 2.305 1.00 0.00 O ATOM 168 CB LEU A 11 -12.282 2.381 0.883 1.00 0.00 C ATOM 169 CG LEU A 11 -13.787 2.252 1.171 1.00 0.00 C ATOM 170 CD1 LEU A 11 -14.126 1.780 2.580 1.00 0.00 C ATOM 171 CD2 LEU A 11 -14.582 3.519 0.848 1.00 0.00 C ATOM 0 H LEU A 11 -12.191 4.863 0.986 1.00 0.00 H new ATOM 0 HA LEU A 11 -11.591 2.812 2.867 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -12.176 2.836 -0.102 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.875 1.372 0.813 1.00 0.00 H new ATOM 0 HG LEU A 11 -14.096 1.465 0.483 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -15.208 1.718 2.693 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.687 0.797 2.750 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.725 2.487 3.307 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -15.635 3.356 1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -14.206 4.348 1.448 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -14.472 3.758 -0.210 1.00 0.00 H new ATOM 183 N ARG A 12 -9.395 3.456 0.431 1.00 0.00 N ATOM 184 CA ARG A 12 -8.001 3.254 0.032 1.00 0.00 C ATOM 185 C ARG A 12 -7.050 3.801 1.068 1.00 0.00 C ATOM 186 O ARG A 12 -6.124 3.089 1.453 1.00 0.00 O ATOM 187 CB ARG A 12 -7.727 3.751 -1.391 1.00 0.00 C ATOM 188 CG ARG A 12 -8.527 4.975 -1.829 1.00 0.00 C ATOM 189 CD ARG A 12 -7.693 5.897 -2.692 1.00 0.00 C ATOM 190 NE ARG A 12 -8.485 6.711 -3.634 1.00 0.00 N ATOM 191 CZ ARG A 12 -9.323 6.346 -4.617 1.00 0.00 C ATOM 192 NH1 ARG A 12 -9.542 5.067 -4.930 1.00 0.00 N ATOM 193 NH2 ARG A 12 -9.936 7.311 -5.285 1.00 0.00 N ATOM 0 H ARG A 12 -9.932 4.023 -0.225 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.815 2.181 -0.007 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.666 3.983 -1.477 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.933 2.937 -2.086 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -9.410 4.656 -2.382 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -8.879 5.515 -0.950 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.118 6.561 -2.047 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.976 5.301 -3.256 1.00 0.00 H new ATOM 0 HE ARG A 12 -8.378 7.719 -3.519 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.065 4.327 -4.415 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.187 4.830 -5.684 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.763 8.287 -5.045 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.581 7.078 -6.040 1.00 0.00 H new ATOM 207 N GLN A 13 -7.300 5.002 1.579 1.00 0.00 N ATOM 208 CA GLN A 13 -6.443 5.572 2.605 1.00 0.00 C ATOM 209 C GLN A 13 -6.490 4.687 3.869 1.00 0.00 C ATOM 210 O GLN A 13 -5.502 4.567 4.588 1.00 0.00 O ATOM 211 CB GLN A 13 -6.758 7.057 2.802 1.00 0.00 C ATOM 212 CG GLN A 13 -8.106 7.301 3.475 1.00 0.00 C ATOM 213 CD GLN A 13 -8.051 7.225 4.997 1.00 0.00 C ATOM 214 OE1 GLN A 13 -7.096 7.636 5.666 1.00 0.00 O ATOM 215 NE2 GLN A 13 -9.057 6.587 5.562 1.00 0.00 N ATOM 0 H GLN A 13 -8.083 5.593 1.301 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.397 5.566 2.299 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.971 7.512 3.403 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.747 7.556 1.833 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -8.477 8.283 3.182 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -8.824 6.567 3.109 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.835 6.256 4.992 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.057 6.425 6.569 1.00 0.00 H new ATOM 224 N ALA A 14 -7.616 4.021 4.157 1.00 0.00 N ATOM 225 CA ALA A 14 -7.730 3.138 5.313 1.00 0.00 C ATOM 226 C ALA A 14 -6.879 1.877 5.086 1.00 0.00 C ATOM 227 O ALA A 14 -6.316 1.323 6.035 1.00 0.00 O ATOM 228 CB ALA A 14 -9.200 2.791 5.549 1.00 0.00 C ATOM 0 H ALA A 14 -8.466 4.082 3.596 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.355 3.640 6.205 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.284 2.131 6.413 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.764 3.705 5.734 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.601 2.289 4.669 1.00 0.00 H new ATOM 234 N VAL A 15 -6.781 1.410 3.836 1.00 0.00 N ATOM 235 CA VAL A 15 -5.992 0.246 3.466 1.00 0.00 C ATOM 236 C VAL A 15 -4.504 0.604 3.478 1.00 0.00 C ATOM 237 O VAL A 15 -3.719 -0.134 4.072 1.00 0.00 O ATOM 238 CB VAL A 15 -6.436 -0.323 2.106 1.00 0.00 C ATOM 239 CG1 VAL A 15 -5.616 -1.558 1.706 1.00 0.00 C ATOM 240 CG2 VAL A 15 -7.903 -0.736 2.129 1.00 0.00 C ATOM 0 H VAL A 15 -7.259 1.843 3.045 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.159 -0.541 4.201 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.277 0.477 1.383 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.962 -1.927 0.741 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.562 -1.288 1.635 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.741 -2.337 2.458 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.184 -1.133 1.154 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.054 -1.502 2.890 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.522 0.131 2.360 1.00 0.00 H new ATOM 250 N LEU A 16 -4.078 1.718 2.859 1.00 0.00 N ATOM 251 CA LEU A 16 -2.656 2.091 2.846 1.00 0.00 C ATOM 252 C LEU A 16 -2.117 2.199 4.265 1.00 0.00 C ATOM 253 O LEU A 16 -0.995 1.768 4.505 1.00 0.00 O ATOM 254 CB LEU A 16 -2.327 3.306 1.962 1.00 0.00 C ATOM 255 CG LEU A 16 -2.839 4.676 2.419 1.00 0.00 C ATOM 256 CD1 LEU A 16 -1.858 5.383 3.355 1.00 0.00 C ATOM 257 CD2 LEU A 16 -3.157 5.537 1.181 1.00 0.00 C ATOM 0 H LEU A 16 -4.691 2.368 2.367 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.121 1.278 2.355 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.243 3.368 1.866 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.725 3.114 0.966 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.750 4.526 2.998 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.268 6.349 3.650 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.697 4.771 4.243 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.909 5.533 2.841 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.522 6.513 1.501 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.253 5.665 0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.921 5.043 0.581 1.00 0.00 H new ATOM 269 N GLN A 17 -2.942 2.656 5.214 1.00 0.00 N ATOM 270 CA GLN A 17 -2.552 2.778 6.608 1.00 0.00 C ATOM 271 C GLN A 17 -2.000 1.444 7.133 1.00 0.00 C ATOM 272 O GLN A 17 -0.917 1.434 7.719 1.00 0.00 O ATOM 273 CB GLN A 17 -3.751 3.232 7.450 1.00 0.00 C ATOM 274 CG GLN A 17 -4.000 4.745 7.460 1.00 0.00 C ATOM 275 CD GLN A 17 -5.257 5.062 8.267 1.00 0.00 C ATOM 276 OE1 GLN A 17 -5.352 4.715 9.444 1.00 0.00 O ATOM 277 NE2 GLN A 17 -6.264 5.688 7.686 1.00 0.00 N ATOM 0 H GLN A 17 -3.901 2.951 5.028 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.764 3.527 6.687 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.646 2.734 7.078 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.603 2.897 8.476 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.142 5.260 7.891 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -4.112 5.110 6.439 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.190 5.978 6.711 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -7.116 5.882 8.212 1.00 0.00 H new ATOM 286 N LYS A 18 -2.681 0.297 6.928 1.00 0.00 N ATOM 287 CA LYS A 18 -2.117 -0.946 7.448 1.00 0.00 C ATOM 288 C LYS A 18 -0.890 -1.363 6.647 1.00 0.00 C ATOM 289 O LYS A 18 0.071 -1.835 7.247 1.00 0.00 O ATOM 290 CB LYS A 18 -3.174 -2.036 7.594 1.00 0.00 C ATOM 291 CG LYS A 18 -3.652 -2.628 6.269 1.00 0.00 C ATOM 292 CD LYS A 18 -5.174 -2.798 6.171 1.00 0.00 C ATOM 293 CE LYS A 18 -5.483 -4.285 6.110 1.00 0.00 C ATOM 294 NZ LYS A 18 -5.502 -4.951 7.428 1.00 0.00 N ATOM 0 H LYS A 18 -3.570 0.213 6.435 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.763 -0.769 8.464 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.770 -2.838 8.212 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.032 -1.625 8.126 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.316 -1.986 5.455 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.179 -3.599 6.126 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.663 -2.343 7.032 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -5.556 -2.294 5.284 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -6.452 -4.425 5.630 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.741 -4.774 5.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.719 -5.960 7.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.571 -4.850 7.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.229 -4.512 8.028 1.00 0.00 H new ATOM 308 N LYS A 19 -0.876 -1.127 5.330 1.00 0.00 N ATOM 309 CA LYS A 19 0.256 -1.469 4.471 1.00 0.00 C ATOM 310 C LYS A 19 1.537 -0.827 5.002 1.00 0.00 C ATOM 311 O LYS A 19 2.583 -1.460 4.902 1.00 0.00 O ATOM 312 CB LYS A 19 -0.025 -1.091 3.009 1.00 0.00 C ATOM 313 CG LYS A 19 -0.821 -2.213 2.324 1.00 0.00 C ATOM 314 CD LYS A 19 -1.494 -1.759 1.024 1.00 0.00 C ATOM 315 CE LYS A 19 -1.853 -2.929 0.096 1.00 0.00 C ATOM 316 NZ LYS A 19 -2.623 -4.027 0.721 1.00 0.00 N ATOM 0 H LYS A 19 -1.653 -0.692 4.832 1.00 0.00 H new ATOM 0 HA LYS A 19 0.399 -2.549 4.491 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.586 -0.157 2.967 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.913 -0.924 2.480 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.153 -3.047 2.109 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.582 -2.583 3.011 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.399 -1.202 1.265 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.830 -1.074 0.497 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.427 -2.540 -0.745 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.930 -3.342 -0.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.828 -4.756 0.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.067 -4.445 1.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.516 -3.653 1.100 1.00 0.00 H new ATOM 330 N ILE A 20 1.486 0.363 5.620 1.00 0.00 N ATOM 331 CA ILE A 20 2.687 1.011 6.157 1.00 0.00 C ATOM 332 C ILE A 20 3.326 0.093 7.209 1.00 0.00 C ATOM 333 O ILE A 20 4.536 -0.124 7.178 1.00 0.00 O ATOM 334 CB ILE A 20 2.418 2.427 6.735 1.00 0.00 C ATOM 335 CG1 ILE A 20 1.480 3.321 5.898 1.00 0.00 C ATOM 336 CG2 ILE A 20 3.753 3.167 6.933 1.00 0.00 C ATOM 337 CD1 ILE A 20 1.839 3.451 4.414 1.00 0.00 C ATOM 0 H ILE A 20 0.626 0.894 5.759 1.00 0.00 H new ATOM 0 HA ILE A 20 3.378 1.164 5.328 1.00 0.00 H new ATOM 0 HB ILE A 20 1.900 2.249 7.677 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.467 2.926 5.975 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.468 4.318 6.339 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.562 4.160 7.339 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.380 2.607 7.626 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.264 3.259 5.974 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.116 4.100 3.920 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.837 3.879 4.317 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.820 2.466 3.947 1.00 0.00 H new ATOM 349 N LYS A 21 2.521 -0.460 8.129 1.00 0.00 N ATOM 350 CA LYS A 21 2.961 -1.370 9.196 1.00 0.00 C ATOM 351 C LYS A 21 3.487 -2.682 8.639 1.00 0.00 C ATOM 352 O LYS A 21 4.283 -3.352 9.301 1.00 0.00 O ATOM 353 CB LYS A 21 1.772 -1.832 10.058 1.00 0.00 C ATOM 354 CG LYS A 21 0.922 -0.695 10.638 1.00 0.00 C ATOM 355 CD LYS A 21 -0.150 -1.205 11.615 1.00 0.00 C ATOM 356 CE LYS A 21 -1.372 -1.789 10.894 1.00 0.00 C ATOM 357 NZ LYS A 21 -2.315 -2.453 11.821 1.00 0.00 N ATOM 0 H LYS A 21 1.517 -0.281 8.151 1.00 0.00 H new ATOM 0 HA LYS A 21 3.713 -0.806 9.748 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.131 -2.475 9.455 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.151 -2.440 10.880 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.571 0.014 11.152 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.440 -0.154 9.824 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.285 -1.967 12.261 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.469 -0.386 12.259 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.891 -0.992 10.363 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.039 -2.507 10.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.122 -2.830 11.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.830 -3.232 12.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.657 -1.764 12.521 1.00 0.00 H new ATOM 371 N GLU A 22 2.969 -3.087 7.485 1.00 0.00 N ATOM 372 CA GLU A 22 3.354 -4.334 6.867 1.00 0.00 C ATOM 373 C GLU A 22 4.696 -4.174 6.195 1.00 0.00 C ATOM 374 O GLU A 22 5.594 -4.948 6.514 1.00 0.00 O ATOM 375 CB GLU A 22 2.272 -4.848 5.909 1.00 0.00 C ATOM 376 CG GLU A 22 1.006 -5.209 6.702 1.00 0.00 C ATOM 377 CD GLU A 22 -0.102 -5.862 5.868 1.00 0.00 C ATOM 378 OE1 GLU A 22 -0.335 -7.091 6.004 1.00 0.00 O ATOM 379 OE2 GLU A 22 -0.760 -5.161 5.062 1.00 0.00 O ATOM 0 H GLU A 22 2.274 -2.557 6.959 1.00 0.00 H new ATOM 0 HA GLU A 22 3.454 -5.097 7.639 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.041 -4.087 5.164 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.636 -5.722 5.369 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.280 -5.885 7.512 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.611 -4.304 7.163 1.00 0.00 H new ATOM 386 N ARG A 23 4.893 -3.139 5.376 1.00 0.00 N ATOM 387 CA ARG A 23 6.178 -2.961 4.701 1.00 0.00 C ATOM 388 C ARG A 23 7.312 -2.714 5.690 1.00 0.00 C ATOM 389 O ARG A 23 8.411 -3.201 5.465 1.00 0.00 O ATOM 390 CB ARG A 23 6.090 -1.963 3.536 1.00 0.00 C ATOM 391 CG ARG A 23 5.616 -0.542 3.875 1.00 0.00 C ATOM 392 CD ARG A 23 6.772 0.382 4.258 1.00 0.00 C ATOM 393 NE ARG A 23 7.766 0.491 3.167 1.00 0.00 N ATOM 394 CZ ARG A 23 9.064 0.784 3.290 1.00 0.00 C ATOM 395 NH1 ARG A 23 9.609 0.897 4.492 1.00 0.00 N ATOM 396 NH2 ARG A 23 9.821 1.019 2.224 1.00 0.00 N ATOM 0 H ARG A 23 4.195 -2.425 5.167 1.00 0.00 H new ATOM 0 HA ARG A 23 6.441 -3.903 4.220 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.075 -1.891 3.075 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.416 -2.376 2.785 1.00 0.00 H new ATOM 0 HG2 ARG A 23 5.089 -0.124 3.018 1.00 0.00 H new ATOM 0 HG3 ARG A 23 4.902 -0.587 4.698 1.00 0.00 H new ATOM 0 HD2 ARG A 23 6.383 1.372 4.497 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.258 0.004 5.158 1.00 0.00 H new ATOM 0 HE ARG A 23 7.424 0.325 2.221 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.038 0.760 5.326 1.00 0.00 H new ATOM 0 HH12 ARG A 23 10.600 1.121 4.584 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.413 0.977 1.290 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.810 1.241 2.340 1.00 0.00 H new ATOM 410 N ILE A 24 7.070 -2.015 6.802 1.00 0.00 N ATOM 411 CA ILE A 24 8.119 -1.777 7.796 1.00 0.00 C ATOM 412 C ILE A 24 8.484 -3.082 8.512 1.00 0.00 C ATOM 413 O ILE A 24 9.665 -3.364 8.716 1.00 0.00 O ATOM 414 CB ILE A 24 7.706 -0.680 8.811 1.00 0.00 C ATOM 415 CG1 ILE A 24 8.791 -0.451 9.892 1.00 0.00 C ATOM 416 CG2 ILE A 24 6.383 -1.002 9.516 1.00 0.00 C ATOM 417 CD1 ILE A 24 8.389 0.553 10.973 1.00 0.00 C ATOM 0 H ILE A 24 6.165 -1.607 7.035 1.00 0.00 H new ATOM 0 HA ILE A 24 9.002 -1.413 7.270 1.00 0.00 H new ATOM 0 HB ILE A 24 7.583 0.226 8.218 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.025 -1.405 10.365 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.704 -0.103 9.408 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.140 -0.203 10.216 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.588 -1.090 8.775 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.479 -1.942 10.059 1.00 0.00 H new ATOM 0 HD11 ILE A 24 9.201 0.658 11.692 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.184 1.520 10.513 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.495 0.198 11.485 1.00 0.00 H new ATOM 429 N GLN A 25 7.487 -3.877 8.913 1.00 0.00 N ATOM 430 CA GLN A 25 7.747 -5.109 9.639 1.00 0.00 C ATOM 431 C GLN A 25 8.260 -6.245 8.750 1.00 0.00 C ATOM 432 O GLN A 25 9.214 -6.929 9.106 1.00 0.00 O ATOM 433 CB GLN A 25 6.441 -5.563 10.309 1.00 0.00 C ATOM 434 CG GLN A 25 6.676 -6.695 11.317 1.00 0.00 C ATOM 435 CD GLN A 25 5.411 -7.502 11.557 1.00 0.00 C ATOM 436 OE1 GLN A 25 4.663 -7.276 12.510 1.00 0.00 O ATOM 437 NE2 GLN A 25 5.112 -8.437 10.669 1.00 0.00 N ATOM 0 H GLN A 25 6.500 -3.685 8.745 1.00 0.00 H new ATOM 0 HA GLN A 25 8.530 -4.895 10.366 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.980 -4.716 10.816 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.739 -5.897 9.545 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.464 -7.353 10.949 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.025 -6.276 12.261 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.739 -8.615 9.885 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.254 -8.980 10.769 1.00 0.00 H new ATOM 446 N ASN A 26 7.603 -6.478 7.612 1.00 0.00 N ATOM 447 CA ASN A 26 7.967 -7.550 6.696 1.00 0.00 C ATOM 448 C ASN A 26 9.244 -7.194 5.966 1.00 0.00 C ATOM 449 O ASN A 26 10.195 -7.964 5.989 1.00 0.00 O ATOM 450 CB ASN A 26 6.865 -7.756 5.630 1.00 0.00 C ATOM 451 CG ASN A 26 5.603 -8.417 6.154 1.00 0.00 C ATOM 452 OD1 ASN A 26 5.396 -9.610 5.934 1.00 0.00 O ATOM 453 ND2 ASN A 26 4.738 -7.662 6.813 1.00 0.00 N ATOM 0 H ASN A 26 6.803 -5.925 7.303 1.00 0.00 H new ATOM 0 HA ASN A 26 8.095 -8.459 7.284 1.00 0.00 H new ATOM 0 HB2 ASN A 26 6.603 -6.788 5.203 1.00 0.00 H new ATOM 0 HB3 ASN A 26 7.269 -8.363 4.820 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.867 -8.066 7.157 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.943 -6.676 6.977 1.00 0.00 H new ATOM 460 N SER A 27 9.279 -6.013 5.354 1.00 0.00 N ATOM 461 CA SER A 27 10.368 -5.429 4.558 1.00 0.00 C ATOM 462 C SER A 27 10.823 -6.273 3.355 1.00 0.00 C ATOM 463 O SER A 27 11.566 -5.814 2.485 1.00 0.00 O ATOM 464 CB SER A 27 11.519 -5.010 5.478 1.00 0.00 C ATOM 465 OG SER A 27 12.362 -4.077 4.831 1.00 0.00 O ATOM 0 H SER A 27 8.479 -5.382 5.403 1.00 0.00 H new ATOM 0 HA SER A 27 9.962 -4.537 4.080 1.00 0.00 H new ATOM 0 HB2 SER A 27 11.119 -4.573 6.393 1.00 0.00 H new ATOM 0 HB3 SER A 27 12.096 -5.888 5.770 1.00 0.00 H new ATOM 0 HG SER A 27 12.300 -4.198 3.861 1.00 0.00 H new ATOM 471 N LEU A 28 10.318 -7.487 3.266 1.00 0.00 N ATOM 472 CA LEU A 28 10.554 -8.501 2.266 1.00 0.00 C ATOM 473 C LEU A 28 9.488 -8.448 1.187 1.00 0.00 C ATOM 474 O LEU A 28 8.525 -7.684 1.267 1.00 0.00 O ATOM 475 CB LEU A 28 10.588 -9.877 2.964 1.00 0.00 C ATOM 476 CG LEU A 28 9.333 -10.284 3.771 1.00 0.00 C ATOM 477 CD1 LEU A 28 8.130 -10.673 2.911 1.00 0.00 C ATOM 478 CD2 LEU A 28 9.687 -11.413 4.737 1.00 0.00 C ATOM 0 H LEU A 28 9.661 -7.820 3.972 1.00 0.00 H new ATOM 0 HA LEU A 28 11.511 -8.326 1.774 1.00 0.00 H new ATOM 0 HB2 LEU A 28 10.764 -10.638 2.204 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.445 -9.895 3.638 1.00 0.00 H new ATOM 0 HG LEU A 28 9.021 -9.396 4.320 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.294 -10.944 3.556 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.844 -9.830 2.282 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.393 -11.523 2.281 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.801 -11.698 5.304 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.049 -12.273 4.174 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.464 -11.075 5.423 1.00 0.00 H new ATOM 490 N SER A 29 9.642 -9.346 0.225 1.00 0.00 N ATOM 491 CA SER A 29 8.745 -9.513 -0.900 1.00 0.00 C ATOM 492 C SER A 29 8.216 -10.947 -0.889 1.00 0.00 C ATOM 493 O SER A 29 7.032 -11.212 -0.683 1.00 0.00 O ATOM 494 CB SER A 29 9.526 -9.230 -2.181 1.00 0.00 C ATOM 495 OG SER A 29 10.089 -7.930 -2.201 1.00 0.00 O ATOM 0 H SER A 29 10.425 -10.000 0.210 1.00 0.00 H new ATOM 0 HA SER A 29 7.900 -8.827 -0.841 1.00 0.00 H new ATOM 0 HB2 SER A 29 10.321 -9.968 -2.288 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.864 -9.348 -3.039 1.00 0.00 H new ATOM 0 HG SER A 29 10.579 -7.799 -3.039 1.00 0.00 H new ATOM 501 N THR A 30 9.136 -11.900 -1.018 1.00 0.00 N ATOM 502 CA THR A 30 8.856 -13.325 -1.057 1.00 0.00 C ATOM 503 C THR A 30 9.888 -14.067 -0.190 1.00 0.00 C ATOM 504 O THR A 30 10.363 -15.145 -0.533 1.00 0.00 O ATOM 505 CB THR A 30 8.751 -13.703 -2.551 1.00 0.00 C ATOM 506 OG1 THR A 30 8.230 -14.990 -2.774 1.00 0.00 O ATOM 507 CG2 THR A 30 10.078 -13.538 -3.292 1.00 0.00 C ATOM 0 H THR A 30 10.131 -11.689 -1.101 1.00 0.00 H new ATOM 0 HA THR A 30 7.910 -13.627 -0.609 1.00 0.00 H new ATOM 0 HB THR A 30 8.035 -12.991 -2.961 1.00 0.00 H new ATOM 0 HG1 THR A 30 8.189 -15.164 -3.738 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.948 -13.817 -4.338 1.00 0.00 H new ATOM 0 HG22 THR A 30 10.402 -12.499 -3.231 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.832 -14.180 -2.836 1.00 0.00 H new ATOM 515 N GLU A 31 10.291 -13.442 0.928 1.00 0.00 N ATOM 516 CA GLU A 31 11.273 -13.972 1.891 1.00 0.00 C ATOM 517 C GLU A 31 12.646 -14.192 1.221 1.00 0.00 C ATOM 518 O GLU A 31 13.451 -15.036 1.625 1.00 0.00 O ATOM 519 CB GLU A 31 10.715 -15.225 2.601 1.00 0.00 C ATOM 520 CG GLU A 31 9.285 -15.022 3.145 1.00 0.00 C ATOM 521 CD GLU A 31 8.703 -16.232 3.873 1.00 0.00 C ATOM 522 OE1 GLU A 31 7.736 -16.021 4.646 1.00 0.00 O ATOM 523 OE2 GLU A 31 9.147 -17.382 3.636 1.00 0.00 O ATOM 0 H GLU A 31 9.932 -12.526 1.196 1.00 0.00 H new ATOM 0 HA GLU A 31 11.445 -13.232 2.673 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.717 -16.063 1.903 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.376 -15.494 3.424 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.287 -14.171 3.826 1.00 0.00 H new ATOM 0 HG3 GLU A 31 8.628 -14.764 2.315 1.00 0.00 H new ATOM 530 N LYS A 32 12.882 -13.432 0.147 1.00 0.00 N ATOM 531 CA LYS A 32 14.059 -13.415 -0.700 1.00 0.00 C ATOM 532 C LYS A 32 15.250 -12.823 0.043 1.00 0.00 C ATOM 533 O LYS A 32 15.144 -11.681 0.495 1.00 0.00 O ATOM 534 CB LYS A 32 13.702 -12.586 -1.943 1.00 0.00 C ATOM 535 CG LYS A 32 14.725 -12.757 -3.066 1.00 0.00 C ATOM 536 CD LYS A 32 14.254 -12.108 -4.370 1.00 0.00 C ATOM 537 CE LYS A 32 12.991 -12.746 -4.971 1.00 0.00 C ATOM 538 NZ LYS A 32 13.053 -14.214 -5.102 1.00 0.00 N ATOM 0 H LYS A 32 12.187 -12.757 -0.172 1.00 0.00 H new ATOM 0 HA LYS A 32 14.348 -14.425 -0.989 1.00 0.00 H new ATOM 0 HB2 LYS A 32 12.717 -12.881 -2.304 1.00 0.00 H new ATOM 0 HB3 LYS A 32 13.639 -11.533 -1.669 1.00 0.00 H new ATOM 0 HG2 LYS A 32 15.674 -12.315 -2.763 1.00 0.00 H new ATOM 0 HG3 LYS A 32 14.906 -13.819 -3.234 1.00 0.00 H new ATOM 0 HD2 LYS A 32 14.062 -11.051 -4.188 1.00 0.00 H new ATOM 0 HD3 LYS A 32 15.059 -12.164 -5.102 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.135 -12.485 -4.348 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.813 -12.313 -5.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.186 -14.559 -5.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.878 -14.477 -5.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.140 -14.643 -4.159 1.00 0.00 H new ATOM 552 N TYR A 33 16.337 -13.579 0.185 1.00 0.00 N ATOM 553 CA TYR A 33 17.543 -13.109 0.860 1.00 0.00 C ATOM 554 C TYR A 33 18.294 -12.120 -0.034 1.00 0.00 C ATOM 555 O TYR A 33 18.818 -11.117 0.451 1.00 0.00 O ATOM 556 CB TYR A 33 18.438 -14.295 1.256 1.00 0.00 C ATOM 557 CG TYR A 33 18.820 -15.256 0.137 1.00 0.00 C ATOM 558 CD1 TYR A 33 17.987 -16.351 -0.166 1.00 0.00 C ATOM 559 CD2 TYR A 33 19.997 -15.054 -0.609 1.00 0.00 C ATOM 560 CE1 TYR A 33 18.290 -17.202 -1.244 1.00 0.00 C ATOM 561 CE2 TYR A 33 20.313 -15.905 -1.684 1.00 0.00 C ATOM 562 CZ TYR A 33 19.451 -16.975 -2.015 1.00 0.00 C ATOM 563 OH TYR A 33 19.723 -17.792 -3.070 1.00 0.00 O ATOM 0 H TYR A 33 16.406 -14.535 -0.165 1.00 0.00 H new ATOM 0 HA TYR A 33 17.257 -12.591 1.775 1.00 0.00 H new ATOM 0 HB2 TYR A 33 19.354 -13.900 1.696 1.00 0.00 H new ATOM 0 HB3 TYR A 33 17.929 -14.862 2.035 1.00 0.00 H new ATOM 0 HD1 TYR A 33 17.109 -16.538 0.434 1.00 0.00 H new ATOM 0 HD2 TYR A 33 20.661 -14.241 -0.355 1.00 0.00 H new ATOM 0 HE1 TYR A 33 17.636 -18.028 -1.482 1.00 0.00 H new ATOM 0 HE2 TYR A 33 21.214 -15.741 -2.256 1.00 0.00 H new ATOM 0 HH TYR A 33 20.556 -17.505 -3.500 1.00 0.00 H new ATOM 573 N GLY A 34 18.270 -12.322 -1.353 1.00 0.00 N ATOM 574 CA GLY A 34 18.949 -11.479 -2.319 1.00 0.00 C ATOM 575 C GLY A 34 20.414 -11.880 -2.330 1.00 0.00 C ATOM 576 O GLY A 34 20.738 -12.907 -2.929 1.00 0.00 O ATOM 0 H GLY A 34 17.764 -13.097 -1.782 1.00 0.00 H new ATOM 0 HA2 GLY A 34 18.511 -11.602 -3.309 1.00 0.00 H new ATOM 0 HA3 GLY A 34 18.842 -10.428 -2.052 1.00 0.00 H new ATOM 580 N SER A 35 21.272 -11.107 -1.662 1.00 0.00 N ATOM 581 CA SER A 35 22.707 -11.344 -1.561 1.00 0.00 C ATOM 582 C SER A 35 23.352 -10.271 -0.678 1.00 0.00 C ATOM 583 O SER A 35 22.678 -9.327 -0.238 1.00 0.00 O ATOM 584 CB SER A 35 23.343 -11.368 -2.964 1.00 0.00 C ATOM 585 OG SER A 35 22.876 -10.309 -3.786 1.00 0.00 O ATOM 0 H SER A 35 20.973 -10.271 -1.160 1.00 0.00 H new ATOM 0 HA SER A 35 22.879 -12.316 -1.098 1.00 0.00 H new ATOM 0 HB2 SER A 35 24.427 -11.301 -2.870 1.00 0.00 H new ATOM 0 HB3 SER A 35 23.123 -12.322 -3.444 1.00 0.00 H new ATOM 0 HG SER A 35 23.418 -10.264 -4.601 1.00 0.00 H new ATOM 591 N GLY A 36 24.656 -10.395 -0.425 1.00 0.00 N ATOM 592 CA GLY A 36 25.403 -9.444 0.374 1.00 0.00 C ATOM 593 C GLY A 36 26.812 -9.939 0.658 1.00 0.00 C ATOM 594 O GLY A 36 27.105 -10.297 1.799 1.00 0.00 O ATOM 0 H GLY A 36 25.221 -11.168 -0.776 1.00 0.00 H new ATOM 0 HA2 GLY A 36 25.450 -8.488 -0.147 1.00 0.00 H new ATOM 0 HA3 GLY A 36 24.881 -9.269 1.315 1.00 0.00 H new ATOM 598 N SER A 37 27.673 -9.991 -0.358 1.00 0.00 N ATOM 599 CA SER A 37 29.057 -10.428 -0.234 1.00 0.00 C ATOM 600 C SER A 37 29.895 -9.794 -1.354 1.00 0.00 C ATOM 601 O SER A 37 29.366 -9.059 -2.191 1.00 0.00 O ATOM 602 CB SER A 37 29.117 -11.963 -0.249 1.00 0.00 C ATOM 603 OG SER A 37 28.655 -12.490 -1.474 1.00 0.00 O ATOM 0 H SER A 37 27.419 -9.724 -1.309 1.00 0.00 H new ATOM 0 HA SER A 37 29.478 -10.098 0.716 1.00 0.00 H new ATOM 0 HB2 SER A 37 30.143 -12.289 -0.076 1.00 0.00 H new ATOM 0 HB3 SER A 37 28.514 -12.359 0.568 1.00 0.00 H new ATOM 0 HG SER A 37 28.708 -13.468 -1.450 1.00 0.00 H new ATOM 609 N GLY A 38 31.208 -10.044 -1.338 1.00 0.00 N ATOM 610 CA GLY A 38 32.154 -9.541 -2.325 1.00 0.00 C ATOM 611 C GLY A 38 32.514 -10.677 -3.271 1.00 0.00 C ATOM 612 O GLY A 38 32.131 -10.664 -4.436 1.00 0.00 O ATOM 0 H GLY A 38 31.648 -10.617 -0.618 1.00 0.00 H new ATOM 0 HA2 GLY A 38 31.717 -8.710 -2.879 1.00 0.00 H new ATOM 0 HA3 GLY A 38 33.049 -9.160 -1.833 1.00 0.00 H new ATOM 616 N SER A 39 33.244 -11.674 -2.766 1.00 0.00 N ATOM 617 CA SER A 39 33.668 -12.847 -3.521 1.00 0.00 C ATOM 618 C SER A 39 32.491 -13.829 -3.642 1.00 0.00 C ATOM 619 O SER A 39 32.493 -14.897 -3.033 1.00 0.00 O ATOM 620 CB SER A 39 34.881 -13.470 -2.813 1.00 0.00 C ATOM 621 OG SER A 39 35.863 -12.479 -2.547 1.00 0.00 O ATOM 0 H SER A 39 33.562 -11.685 -1.797 1.00 0.00 H new ATOM 0 HA SER A 39 33.968 -12.577 -4.534 1.00 0.00 H new ATOM 0 HB2 SER A 39 34.565 -13.937 -1.880 1.00 0.00 H new ATOM 0 HB3 SER A 39 35.308 -14.257 -3.435 1.00 0.00 H new ATOM 0 HG SER A 39 36.629 -12.890 -2.094 1.00 0.00 H new ATOM 627 N GLY A 40 31.476 -13.463 -4.419 1.00 0.00 N ATOM 628 CA GLY A 40 30.275 -14.244 -4.654 1.00 0.00 C ATOM 629 C GLY A 40 29.442 -13.543 -5.720 1.00 0.00 C ATOM 630 O GLY A 40 29.949 -12.679 -6.439 1.00 0.00 O ATOM 0 H GLY A 40 31.472 -12.575 -4.922 1.00 0.00 H new ATOM 0 HA2 GLY A 40 30.536 -15.251 -4.979 1.00 0.00 H new ATOM 0 HA3 GLY A 40 29.703 -14.345 -3.732 1.00 0.00 H new ATOM 634 N SER A 41 28.189 -13.954 -5.905 1.00 0.00 N ATOM 635 CA SER A 41 27.296 -13.346 -6.883 1.00 0.00 C ATOM 636 C SER A 41 25.845 -13.554 -6.452 1.00 0.00 C ATOM 637 O SER A 41 25.486 -14.604 -5.899 1.00 0.00 O ATOM 638 CB SER A 41 27.533 -13.950 -8.275 1.00 0.00 C ATOM 639 OG SER A 41 28.858 -13.722 -8.720 1.00 0.00 O ATOM 0 H SER A 41 27.766 -14.719 -5.379 1.00 0.00 H new ATOM 0 HA SER A 41 27.502 -12.277 -6.936 1.00 0.00 H new ATOM 0 HB2 SER A 41 27.337 -15.022 -8.246 1.00 0.00 H new ATOM 0 HB3 SER A 41 26.829 -13.516 -8.986 1.00 0.00 H new ATOM 0 HG SER A 41 29.346 -13.208 -8.044 1.00 0.00 H new ATOM 645 N GLY A 42 25.005 -12.580 -6.773 1.00 0.00 N ATOM 646 CA GLY A 42 23.584 -12.504 -6.505 1.00 0.00 C ATOM 647 C GLY A 42 23.047 -11.241 -7.173 1.00 0.00 C ATOM 648 O GLY A 42 23.805 -10.508 -7.816 1.00 0.00 O ATOM 0 H GLY A 42 25.334 -11.753 -7.271 1.00 0.00 H new ATOM 0 HA2 GLY A 42 23.075 -13.386 -6.893 1.00 0.00 H new ATOM 0 HA3 GLY A 42 23.399 -12.476 -5.431 1.00 0.00 H new ATOM 652 N SER A 43 21.742 -11.000 -7.090 1.00 0.00 N ATOM 653 CA SER A 43 21.100 -9.837 -7.689 1.00 0.00 C ATOM 654 C SER A 43 19.720 -9.648 -7.055 1.00 0.00 C ATOM 655 O SER A 43 19.414 -10.245 -6.018 1.00 0.00 O ATOM 656 CB SER A 43 21.027 -10.030 -9.214 1.00 0.00 C ATOM 657 OG SER A 43 20.261 -11.172 -9.554 1.00 0.00 O ATOM 0 H SER A 43 21.094 -11.615 -6.599 1.00 0.00 H new ATOM 0 HA SER A 43 21.676 -8.931 -7.501 1.00 0.00 H new ATOM 0 HB2 SER A 43 20.587 -9.145 -9.674 1.00 0.00 H new ATOM 0 HB3 SER A 43 22.034 -10.132 -9.618 1.00 0.00 H new ATOM 0 HG SER A 43 20.231 -11.268 -10.529 1.00 0.00 H new ATOM 663 N GLY A 44 18.881 -8.799 -7.644 1.00 0.00 N ATOM 664 CA GLY A 44 17.534 -8.518 -7.184 1.00 0.00 C ATOM 665 C GLY A 44 16.736 -7.889 -8.313 1.00 0.00 C ATOM 666 O GLY A 44 17.282 -7.602 -9.380 1.00 0.00 O ATOM 0 H GLY A 44 19.133 -8.274 -8.481 1.00 0.00 H new ATOM 0 HA2 GLY A 44 17.052 -9.438 -6.852 1.00 0.00 H new ATOM 0 HA3 GLY A 44 17.564 -7.846 -6.326 1.00 0.00 H new ATOM 670 N SER A 45 15.445 -7.705 -8.070 1.00 0.00 N ATOM 671 CA SER A 45 14.471 -7.114 -8.973 1.00 0.00 C ATOM 672 C SER A 45 13.353 -6.606 -8.075 1.00 0.00 C ATOM 673 O SER A 45 12.807 -7.401 -7.308 1.00 0.00 O ATOM 674 CB SER A 45 13.892 -8.156 -9.944 1.00 0.00 C ATOM 675 OG SER A 45 14.781 -8.497 -10.990 1.00 0.00 O ATOM 0 H SER A 45 15.026 -7.982 -7.182 1.00 0.00 H new ATOM 0 HA SER A 45 14.931 -6.332 -9.577 1.00 0.00 H new ATOM 0 HB2 SER A 45 13.633 -9.057 -9.388 1.00 0.00 H new ATOM 0 HB3 SER A 45 12.968 -7.769 -10.373 1.00 0.00 H new ATOM 0 HG SER A 45 15.699 -8.281 -10.723 1.00 0.00 H new ATOM 681 N GLY A 46 13.030 -5.316 -8.141 1.00 0.00 N ATOM 682 CA GLY A 46 11.965 -4.739 -7.335 1.00 0.00 C ATOM 683 C GLY A 46 10.607 -5.054 -7.962 1.00 0.00 C ATOM 684 O GLY A 46 9.666 -5.397 -7.249 1.00 0.00 O ATOM 0 H GLY A 46 13.498 -4.647 -8.752 1.00 0.00 H new ATOM 0 HA2 GLY A 46 12.008 -5.137 -6.321 1.00 0.00 H new ATOM 0 HA3 GLY A 46 12.099 -3.660 -7.259 1.00 0.00 H new ATOM 688 N SER A 47 10.526 -4.967 -9.297 1.00 0.00 N ATOM 689 CA SER A 47 9.351 -5.233 -10.125 1.00 0.00 C ATOM 690 C SER A 47 8.052 -4.606 -9.579 1.00 0.00 C ATOM 691 O SER A 47 7.002 -5.249 -9.552 1.00 0.00 O ATOM 692 CB SER A 47 9.273 -6.753 -10.389 1.00 0.00 C ATOM 693 OG SER A 47 8.634 -7.080 -11.618 1.00 0.00 O ATOM 0 H SER A 47 11.332 -4.691 -9.858 1.00 0.00 H new ATOM 0 HA SER A 47 9.465 -4.727 -11.084 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.282 -7.166 -10.391 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.735 -7.230 -9.570 1.00 0.00 H new ATOM 0 HG SER A 47 8.617 -8.054 -11.729 1.00 0.00 H new ATOM 699 N GLY A 48 8.106 -3.339 -9.155 1.00 0.00 N ATOM 700 CA GLY A 48 6.961 -2.612 -8.623 1.00 0.00 C ATOM 701 C GLY A 48 7.045 -1.159 -9.065 1.00 0.00 C ATOM 702 O GLY A 48 7.883 -0.427 -8.541 1.00 0.00 O ATOM 0 H GLY A 48 8.963 -2.786 -9.174 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.033 -3.060 -8.978 1.00 0.00 H new ATOM 0 HA3 GLY A 48 6.949 -2.674 -7.535 1.00 0.00 H new ATOM 706 N SER A 49 6.217 -0.752 -10.029 1.00 0.00 N ATOM 707 CA SER A 49 6.166 0.600 -10.576 1.00 0.00 C ATOM 708 C SER A 49 4.732 1.129 -10.439 1.00 0.00 C ATOM 709 O SER A 49 4.482 2.041 -9.645 1.00 0.00 O ATOM 710 CB SER A 49 6.696 0.541 -12.021 1.00 0.00 C ATOM 711 OG SER A 49 6.629 1.778 -12.701 1.00 0.00 O ATOM 0 H SER A 49 5.540 -1.379 -10.464 1.00 0.00 H new ATOM 0 HA SER A 49 6.798 1.306 -10.037 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.731 0.201 -12.005 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.125 -0.201 -12.578 1.00 0.00 H new ATOM 0 HG SER A 49 6.981 1.672 -13.609 1.00 0.00 H new ATOM 717 N GLY A 50 3.781 0.528 -11.158 1.00 0.00 N ATOM 718 CA GLY A 50 2.374 0.896 -11.158 1.00 0.00 C ATOM 719 C GLY A 50 2.112 2.129 -12.019 1.00 0.00 C ATOM 720 O GLY A 50 3.045 2.758 -12.533 1.00 0.00 O ATOM 0 H GLY A 50 3.983 -0.257 -11.777 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.780 0.061 -11.528 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.049 1.090 -10.136 1.00 0.00 H new ATOM 724 N SER A 51 0.845 2.506 -12.150 1.00 0.00 N ATOM 725 CA SER A 51 0.376 3.656 -12.921 1.00 0.00 C ATOM 726 C SER A 51 -0.620 4.452 -12.074 1.00 0.00 C ATOM 727 O SER A 51 -1.042 3.978 -11.014 1.00 0.00 O ATOM 728 CB SER A 51 -0.188 3.195 -14.278 1.00 0.00 C ATOM 729 OG SER A 51 -0.775 1.907 -14.221 1.00 0.00 O ATOM 0 H SER A 51 0.082 1.998 -11.703 1.00 0.00 H new ATOM 0 HA SER A 51 1.201 4.327 -13.158 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.933 3.914 -14.619 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.613 3.191 -15.017 1.00 0.00 H new ATOM 0 HG SER A 51 -1.118 1.664 -15.106 1.00 0.00 H new ATOM 735 N GLY A 52 -0.971 5.665 -12.504 1.00 0.00 N ATOM 736 CA GLY A 52 -1.897 6.519 -11.782 1.00 0.00 C ATOM 737 C GLY A 52 -1.352 7.924 -11.600 1.00 0.00 C ATOM 738 O GLY A 52 -0.537 8.405 -12.395 1.00 0.00 O ATOM 0 H GLY A 52 -0.616 6.078 -13.366 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.843 6.564 -12.321 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.107 6.082 -10.806 1.00 0.00 H new ATOM 742 N SER A 53 -1.847 8.581 -10.557 1.00 0.00 N ATOM 743 CA SER A 53 -1.532 9.932 -10.121 1.00 0.00 C ATOM 744 C SER A 53 -1.418 9.885 -8.601 1.00 0.00 C ATOM 745 O SER A 53 -2.433 10.022 -7.915 1.00 0.00 O ATOM 746 CB SER A 53 -2.617 10.917 -10.591 1.00 0.00 C ATOM 747 OG SER A 53 -3.906 10.323 -10.721 1.00 0.00 O ATOM 0 H SER A 53 -2.536 8.144 -9.945 1.00 0.00 H new ATOM 0 HA SER A 53 -0.596 10.285 -10.554 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.677 11.744 -9.884 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.322 11.339 -11.551 1.00 0.00 H new ATOM 0 HG SER A 53 -4.549 10.999 -11.020 1.00 0.00 H new ATOM 753 N GLY A 54 -0.205 9.661 -8.095 1.00 0.00 N ATOM 754 CA GLY A 54 0.051 9.572 -6.668 1.00 0.00 C ATOM 755 C GLY A 54 -0.350 10.831 -5.899 1.00 0.00 C ATOM 756 O GLY A 54 -0.526 11.915 -6.461 1.00 0.00 O ATOM 0 H GLY A 54 0.628 9.536 -8.671 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.492 8.719 -6.262 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.112 9.380 -6.508 1.00 0.00 H new ATOM 760 N SER A 55 -0.459 10.669 -4.586 1.00 0.00 N ATOM 761 CA SER A 55 -0.826 11.670 -3.603 1.00 0.00 C ATOM 762 C SER A 55 0.178 11.602 -2.443 1.00 0.00 C ATOM 763 O SER A 55 1.117 10.796 -2.460 1.00 0.00 O ATOM 764 CB SER A 55 -2.273 11.378 -3.171 1.00 0.00 C ATOM 765 OG SER A 55 -2.791 12.367 -2.295 1.00 0.00 O ATOM 0 H SER A 55 -0.278 9.764 -4.152 1.00 0.00 H new ATOM 0 HA SER A 55 -0.789 12.686 -3.997 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.906 11.314 -4.056 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.312 10.406 -2.679 1.00 0.00 H new ATOM 0 HG SER A 55 -3.712 12.138 -2.051 1.00 0.00 H new ATOM 771 N GLY A 56 0.007 12.487 -1.463 1.00 0.00 N ATOM 772 CA GLY A 56 0.819 12.603 -0.262 1.00 0.00 C ATOM 773 C GLY A 56 0.014 12.182 0.964 1.00 0.00 C ATOM 774 O GLY A 56 -1.156 11.813 0.848 1.00 0.00 O ATOM 0 H GLY A 56 -0.743 13.178 -1.491 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.708 11.979 -0.354 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.162 13.631 -0.145 1.00 0.00 H new ATOM 778 N SER A 57 0.644 12.221 2.135 1.00 0.00 N ATOM 779 CA SER A 57 0.036 11.859 3.409 1.00 0.00 C ATOM 780 C SER A 57 0.675 12.673 4.538 1.00 0.00 C ATOM 781 O SER A 57 1.685 13.354 4.334 1.00 0.00 O ATOM 782 CB SER A 57 0.281 10.370 3.690 1.00 0.00 C ATOM 783 OG SER A 57 -0.114 9.488 2.656 1.00 0.00 O ATOM 0 H SER A 57 1.617 12.513 2.225 1.00 0.00 H new ATOM 0 HA SER A 57 -1.033 12.064 3.359 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.343 10.224 3.884 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.250 10.097 4.602 1.00 0.00 H new ATOM 0 HG SER A 57 -0.175 8.576 3.009 1.00 0.00 H new ATOM 789 N GLY A 58 0.151 12.541 5.760 1.00 0.00 N ATOM 790 CA GLY A 58 0.658 13.232 6.945 1.00 0.00 C ATOM 791 C GLY A 58 0.764 12.320 8.168 1.00 0.00 C ATOM 792 O GLY A 58 1.501 12.642 9.101 1.00 0.00 O ATOM 0 H GLY A 58 -0.650 11.941 5.955 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.640 13.649 6.723 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.001 14.070 7.179 1.00 0.00 H new ATOM 796 N TYR A 59 0.065 11.181 8.183 1.00 0.00 N ATOM 797 CA TYR A 59 0.085 10.240 9.303 1.00 0.00 C ATOM 798 C TYR A 59 1.203 9.192 9.216 1.00 0.00 C ATOM 799 O TYR A 59 1.243 8.282 10.047 1.00 0.00 O ATOM 800 CB TYR A 59 -1.299 9.592 9.433 1.00 0.00 C ATOM 801 CG TYR A 59 -2.382 10.527 9.943 1.00 0.00 C ATOM 802 CD1 TYR A 59 -2.260 11.119 11.215 1.00 0.00 C ATOM 803 CD2 TYR A 59 -3.542 10.761 9.183 1.00 0.00 C ATOM 804 CE1 TYR A 59 -3.314 11.869 11.763 1.00 0.00 C ATOM 805 CE2 TYR A 59 -4.591 11.527 9.715 1.00 0.00 C ATOM 806 CZ TYR A 59 -4.494 12.064 11.018 1.00 0.00 C ATOM 807 OH TYR A 59 -5.510 12.797 11.540 1.00 0.00 O ATOM 0 H TYR A 59 -0.534 10.886 7.412 1.00 0.00 H new ATOM 0 HA TYR A 59 0.315 10.806 10.206 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -1.599 9.205 8.459 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -1.226 8.738 10.107 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.345 10.995 11.776 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.626 10.350 8.188 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -3.220 12.294 12.751 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -5.477 11.707 9.125 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.249 12.835 10.898 1.00 0.00 H new ATOM 817 N GLN A3288 2.091 9.271 8.229 1.00 0.00 N ATOM 818 CA GLN A3288 3.203 8.376 7.982 1.00 0.00 C ATOM 819 C GLN A3288 4.483 9.216 7.818 1.00 0.00 C ATOM 820 O GLN A3288 4.456 10.427 8.056 1.00 0.00 O ATOM 821 CB GLN A3288 2.779 7.518 6.781 1.00 0.00 C ATOM 822 CG GLN A3288 2.595 8.288 5.469 1.00 0.00 C ATOM 823 CD GLN A3288 1.718 7.543 4.465 1.00 0.00 C ATOM 824 OE1 GLN A3288 0.511 7.423 4.648 1.00 0.00 O ATOM 825 NE2 GLN A3288 2.262 7.135 3.338 1.00 0.00 N ATOM 0 H GLN A3288 2.044 10.017 7.535 1.00 0.00 H new ATOM 0 HA GLN A3288 3.444 7.691 8.795 1.00 0.00 H new ATOM 0 HB2 GLN A3288 3.527 6.740 6.627 1.00 0.00 H new ATOM 0 HB3 GLN A3288 1.843 7.016 7.025 1.00 0.00 H new ATOM 0 HG2 GLN A3288 2.150 9.260 5.682 1.00 0.00 H new ATOM 0 HG3 GLN A3288 3.572 8.476 5.023 1.00 0.00 H new ATOM 0 HE21 GLN A3288 3.266 7.237 3.190 1.00 0.00 H new ATOM 0 HE22 GLN A3288 1.679 6.717 2.612 1.00 0.00 H new ATOM 834 N ILE A3289 5.612 8.597 7.459 1.00 0.00 N ATOM 835 CA ILE A3289 6.887 9.287 7.283 1.00 0.00 C ATOM 836 C ILE A3289 7.138 9.477 5.782 1.00 0.00 C ATOM 837 O ILE A3289 7.746 8.636 5.116 1.00 0.00 O ATOM 838 CB ILE A3289 8.032 8.570 8.039 1.00 0.00 C ATOM 839 CG1 ILE A3289 7.667 8.328 9.523 1.00 0.00 C ATOM 840 CG2 ILE A3289 9.305 9.432 7.948 1.00 0.00 C ATOM 841 CD1 ILE A3289 8.743 7.576 10.314 1.00 0.00 C ATOM 0 H ILE A3289 5.664 7.594 7.282 1.00 0.00 H new ATOM 0 HA ILE A3289 6.850 10.278 7.735 1.00 0.00 H new ATOM 0 HB ILE A3289 8.199 7.597 7.577 1.00 0.00 H new ATOM 0 HG12 ILE A3289 7.483 9.289 10.003 1.00 0.00 H new ATOM 0 HG13 ILE A3289 6.735 7.764 9.570 1.00 0.00 H new ATOM 0 HG21 ILE A3289 10.119 8.936 8.477 1.00 0.00 H new ATOM 0 HG22 ILE A3289 9.581 9.565 6.902 1.00 0.00 H new ATOM 0 HG23 ILE A3289 9.118 10.406 8.400 1.00 0.00 H new ATOM 0 HD11 ILE A3289 8.413 7.446 11.345 1.00 0.00 H new ATOM 0 HD12 ILE A3289 8.912 6.599 9.861 1.00 0.00 H new ATOM 0 HD13 ILE A3289 9.671 8.148 10.300 1.00 0.00 H new ATOM 853 N GLU A3290 6.719 10.637 5.276 1.00 0.00 N ATOM 854 CA GLU A3290 6.835 11.076 3.884 1.00 0.00 C ATOM 855 C GLU A3290 8.280 11.194 3.367 1.00 0.00 C ATOM 856 O GLU A3290 8.525 11.410 2.182 1.00 0.00 O ATOM 857 CB GLU A3290 6.195 12.469 3.771 1.00 0.00 C ATOM 858 CG GLU A3290 5.642 12.715 2.366 1.00 0.00 C ATOM 859 CD GLU A3290 4.187 12.263 2.222 1.00 0.00 C ATOM 860 OE1 GLU A3290 3.837 11.156 2.700 1.00 0.00 O ATOM 861 OE2 GLU A3290 3.381 13.023 1.641 1.00 0.00 O ATOM 0 H GLU A3290 6.263 11.337 5.861 1.00 0.00 H new ATOM 0 HA GLU A3290 6.341 10.315 3.281 1.00 0.00 H new ATOM 0 HB2 GLU A3290 5.392 12.563 4.502 1.00 0.00 H new ATOM 0 HB3 GLU A3290 6.935 13.232 4.011 1.00 0.00 H new ATOM 0 HG2 GLU A3290 5.714 13.777 2.131 1.00 0.00 H new ATOM 0 HG3 GLU A3290 6.257 12.185 1.639 1.00 0.00 H new ATOM 868 N THR A3291 9.248 11.042 4.259 1.00 0.00 N ATOM 869 CA THR A3291 10.671 11.154 3.996 1.00 0.00 C ATOM 870 C THR A3291 11.440 9.888 4.389 1.00 0.00 C ATOM 871 O THR A3291 12.609 9.962 4.773 1.00 0.00 O ATOM 872 CB THR A3291 11.119 12.478 4.654 1.00 0.00 C ATOM 873 OG1 THR A3291 12.415 12.877 4.266 1.00 0.00 O ATOM 874 CG2 THR A3291 11.026 12.461 6.183 1.00 0.00 C ATOM 0 H THR A3291 9.049 10.826 5.236 1.00 0.00 H new ATOM 0 HA THR A3291 10.903 11.211 2.933 1.00 0.00 H new ATOM 0 HB THR A3291 10.406 13.213 4.281 1.00 0.00 H new ATOM 0 HG1 THR A3291 13.012 12.100 4.271 1.00 0.00 H new ATOM 0 HG21 THR A3291 11.356 13.422 6.578 1.00 0.00 H new ATOM 0 HG22 THR A3291 9.994 12.280 6.483 1.00 0.00 H new ATOM 0 HG23 THR A3291 11.662 11.669 6.577 1.00 0.00 H new ATOM 882 N PHE A3292 10.817 8.708 4.321 1.00 0.00 N ATOM 883 CA PHE A3292 11.490 7.458 4.676 1.00 0.00 C ATOM 884 C PHE A3292 11.103 6.295 3.770 1.00 0.00 C ATOM 885 O PHE A3292 11.974 5.544 3.327 1.00 0.00 O ATOM 886 CB PHE A3292 11.172 7.178 6.144 1.00 0.00 C ATOM 887 CG PHE A3292 11.783 5.947 6.788 1.00 0.00 C ATOM 888 CD1 PHE A3292 13.047 5.456 6.406 1.00 0.00 C ATOM 889 CD2 PHE A3292 11.098 5.335 7.853 1.00 0.00 C ATOM 890 CE1 PHE A3292 13.611 4.365 7.090 1.00 0.00 C ATOM 891 CE2 PHE A3292 11.665 4.249 8.539 1.00 0.00 C ATOM 892 CZ PHE A3292 12.927 3.767 8.162 1.00 0.00 C ATOM 0 H PHE A3292 9.848 8.593 4.023 1.00 0.00 H new ATOM 0 HA PHE A3292 12.565 7.565 4.532 1.00 0.00 H new ATOM 0 HB2 PHE A3292 11.484 8.047 6.724 1.00 0.00 H new ATOM 0 HB3 PHE A3292 10.089 7.102 6.241 1.00 0.00 H new ATOM 0 HD1 PHE A3292 13.582 5.917 5.589 1.00 0.00 H new ATOM 0 HD2 PHE A3292 10.126 5.704 8.146 1.00 0.00 H new ATOM 0 HE1 PHE A3292 14.576 3.984 6.790 1.00 0.00 H new ATOM 0 HE2 PHE A3292 11.130 3.786 9.355 1.00 0.00 H new ATOM 0 HZ PHE A3292 13.372 2.939 8.694 1.00 0.00 H new ATOM 902 N PHE A3293 9.816 6.159 3.460 1.00 0.00 N ATOM 903 CA PHE A3293 9.313 5.084 2.610 1.00 0.00 C ATOM 904 C PHE A3293 8.346 5.573 1.551 1.00 0.00 C ATOM 905 O PHE A3293 7.821 4.750 0.804 1.00 0.00 O ATOM 906 CB PHE A3293 8.681 3.995 3.478 1.00 0.00 C ATOM 907 CG PHE A3293 7.965 4.471 4.724 1.00 0.00 C ATOM 908 CD1 PHE A3293 8.437 4.083 5.989 1.00 0.00 C ATOM 909 CD2 PHE A3293 6.861 5.336 4.630 1.00 0.00 C ATOM 910 CE1 PHE A3293 7.791 4.526 7.152 1.00 0.00 C ATOM 911 CE2 PHE A3293 6.231 5.795 5.796 1.00 0.00 C ATOM 912 CZ PHE A3293 6.672 5.364 7.063 1.00 0.00 C ATOM 0 H PHE A3293 9.090 6.794 3.793 1.00 0.00 H new ATOM 0 HA PHE A3293 10.162 4.667 2.068 1.00 0.00 H new ATOM 0 HB2 PHE A3293 7.972 3.437 2.867 1.00 0.00 H new ATOM 0 HB3 PHE A3293 9.463 3.297 3.777 1.00 0.00 H new ATOM 0 HD1 PHE A3293 9.302 3.440 6.066 1.00 0.00 H new ATOM 0 HD2 PHE A3293 6.498 5.647 3.661 1.00 0.00 H new ATOM 0 HE1 PHE A3293 8.158 4.220 8.121 1.00 0.00 H new ATOM 0 HE2 PHE A3293 5.402 6.484 5.722 1.00 0.00 H new ATOM 0 HZ PHE A3293 6.152 5.677 7.957 1.00 0.00 H new ATOM 922 N ALA A3294 8.138 6.889 1.447 1.00 0.00 N ATOM 923 CA ALA A3294 7.227 7.491 0.487 1.00 0.00 C ATOM 924 C ALA A3294 7.465 6.991 -0.936 1.00 0.00 C ATOM 925 O ALA A3294 6.509 6.842 -1.689 1.00 0.00 O ATOM 926 CB ALA A3294 7.379 9.001 0.542 1.00 0.00 C ATOM 0 H ALA A3294 8.609 7.572 2.041 1.00 0.00 H new ATOM 0 HA ALA A3294 6.212 7.200 0.758 1.00 0.00 H new ATOM 0 HB1 ALA A3294 6.699 9.461 -0.175 1.00 0.00 H new ATOM 0 HB2 ALA A3294 7.142 9.354 1.545 1.00 0.00 H new ATOM 0 HB3 ALA A3294 8.405 9.273 0.295 1.00 0.00 H new ATOM 932 N GLN A3295 8.723 6.696 -1.268 1.00 0.00 N ATOM 933 CA GLN A3295 9.144 6.214 -2.577 1.00 0.00 C ATOM 934 C GLN A3295 8.402 4.919 -2.949 1.00 0.00 C ATOM 935 O GLN A3295 7.919 4.778 -4.067 1.00 0.00 O ATOM 936 CB GLN A3295 10.668 6.013 -2.570 1.00 0.00 C ATOM 937 CG GLN A3295 11.500 7.214 -2.083 1.00 0.00 C ATOM 938 CD GLN A3295 11.523 8.379 -3.064 1.00 0.00 C ATOM 939 OE1 GLN A3295 12.159 8.306 -4.105 1.00 0.00 O ATOM 940 NE2 GLN A3295 10.931 9.514 -2.729 1.00 0.00 N ATOM 0 H GLN A3295 9.497 6.790 -0.611 1.00 0.00 H new ATOM 0 HA GLN A3295 8.891 6.953 -3.338 1.00 0.00 H new ATOM 0 HB2 GLN A3295 10.899 5.155 -1.939 1.00 0.00 H new ATOM 0 HB3 GLN A3295 10.987 5.760 -3.581 1.00 0.00 H new ATOM 0 HG2 GLN A3295 11.099 7.560 -1.130 1.00 0.00 H new ATOM 0 HG3 GLN A3295 12.523 6.886 -1.898 1.00 0.00 H new ATOM 0 HE21 GLN A3295 10.400 9.575 -1.860 1.00 0.00 H new ATOM 0 HE22 GLN A3295 11.006 10.328 -3.340 1.00 0.00 H new ATOM 949 N ASP A3296 8.365 3.936 -2.045 1.00 0.00 N ATOM 950 CA ASP A3296 7.665 2.668 -2.273 1.00 0.00 C ATOM 951 C ASP A3296 6.164 2.815 -2.032 1.00 0.00 C ATOM 952 O ASP A3296 5.351 2.069 -2.584 1.00 0.00 O ATOM 953 CB ASP A3296 8.113 1.586 -1.281 1.00 0.00 C ATOM 954 CG ASP A3296 9.458 0.913 -1.515 1.00 0.00 C ATOM 955 OD1 ASP A3296 10.000 0.970 -2.644 1.00 0.00 O ATOM 956 OD2 ASP A3296 9.904 0.271 -0.531 1.00 0.00 O ATOM 0 H ASP A3296 8.820 3.997 -1.134 1.00 0.00 H new ATOM 0 HA ASP A3296 7.894 2.393 -3.303 1.00 0.00 H new ATOM 0 HB2 ASP A3296 8.132 2.032 -0.287 1.00 0.00 H new ATOM 0 HB3 ASP A3296 7.349 0.809 -1.267 1.00 0.00 H new ATOM 961 N ILE A3297 5.806 3.725 -1.129 1.00 0.00 N ATOM 962 CA ILE A3297 4.449 4.011 -0.710 1.00 0.00 C ATOM 963 C ILE A3297 3.638 4.464 -1.902 1.00 0.00 C ATOM 964 O ILE A3297 2.502 4.020 -2.056 1.00 0.00 O ATOM 965 CB ILE A3297 4.458 5.034 0.452 1.00 0.00 C ATOM 966 CG1 ILE A3297 4.028 4.420 1.797 1.00 0.00 C ATOM 967 CG2 ILE A3297 3.639 6.305 0.176 1.00 0.00 C ATOM 968 CD1 ILE A3297 4.881 3.226 2.240 1.00 0.00 C ATOM 0 H ILE A3297 6.493 4.308 -0.650 1.00 0.00 H new ATOM 0 HA ILE A3297 3.970 3.111 -0.324 1.00 0.00 H new ATOM 0 HB ILE A3297 5.504 5.331 0.524 1.00 0.00 H new ATOM 0 HG12 ILE A3297 4.073 5.190 2.567 1.00 0.00 H new ATOM 0 HG13 ILE A3297 2.988 4.103 1.723 1.00 0.00 H new ATOM 0 HG21 ILE A3297 3.697 6.969 1.038 1.00 0.00 H new ATOM 0 HG22 ILE A3297 4.040 6.813 -0.701 1.00 0.00 H new ATOM 0 HG23 ILE A3297 2.599 6.035 -0.005 1.00 0.00 H new ATOM 0 HD11 ILE A3297 4.514 2.851 3.195 1.00 0.00 H new ATOM 0 HD12 ILE A3297 4.818 2.436 1.492 1.00 0.00 H new ATOM 0 HD13 ILE A3297 5.919 3.541 2.348 1.00 0.00 H new ATOM 980 N GLU A3298 4.203 5.348 -2.723 1.00 0.00 N ATOM 981 CA GLU A3298 3.497 5.848 -3.877 1.00 0.00 C ATOM 982 C GLU A3298 3.205 4.698 -4.839 1.00 0.00 C ATOM 983 O GLU A3298 2.161 4.688 -5.476 1.00 0.00 O ATOM 984 CB GLU A3298 4.234 7.023 -4.513 1.00 0.00 C ATOM 985 CG GLU A3298 5.676 6.731 -4.929 1.00 0.00 C ATOM 986 CD GLU A3298 6.042 7.608 -6.116 1.00 0.00 C ATOM 987 OE1 GLU A3298 6.493 8.751 -5.880 1.00 0.00 O ATOM 988 OE2 GLU A3298 5.775 7.216 -7.277 1.00 0.00 O ATOM 0 H GLU A3298 5.143 5.725 -2.602 1.00 0.00 H new ATOM 0 HA GLU A3298 2.533 6.255 -3.573 1.00 0.00 H new ATOM 0 HB2 GLU A3298 3.677 7.350 -5.391 1.00 0.00 H new ATOM 0 HB3 GLU A3298 4.236 7.855 -3.809 1.00 0.00 H new ATOM 0 HG2 GLU A3298 6.353 6.924 -4.097 1.00 0.00 H new ATOM 0 HG3 GLU A3298 5.785 5.679 -5.192 1.00 0.00 H new ATOM 995 N SER A3299 4.078 3.693 -4.906 1.00 0.00 N ATOM 996 CA SER A3299 3.889 2.559 -5.794 1.00 0.00 C ATOM 997 C SER A3299 2.735 1.672 -5.300 1.00 0.00 C ATOM 998 O SER A3299 1.913 1.244 -6.112 1.00 0.00 O ATOM 999 CB SER A3299 5.214 1.807 -5.954 1.00 0.00 C ATOM 1000 OG SER A3299 5.159 0.952 -7.082 1.00 0.00 O ATOM 0 H SER A3299 4.930 3.647 -4.347 1.00 0.00 H new ATOM 0 HA SER A3299 3.596 2.903 -6.786 1.00 0.00 H new ATOM 0 HB2 SER A3299 6.032 2.518 -6.067 1.00 0.00 H new ATOM 0 HB3 SER A3299 5.420 1.224 -5.056 1.00 0.00 H new ATOM 0 HG SER A3299 4.930 1.475 -7.878 1.00 0.00 H new ATOM 1006 N VAL A3300 2.631 1.394 -3.995 1.00 0.00 N ATOM 1007 CA VAL A3300 1.536 0.562 -3.494 1.00 0.00 C ATOM 1008 C VAL A3300 0.232 1.374 -3.453 1.00 0.00 C ATOM 1009 O VAL A3300 -0.820 0.865 -3.832 1.00 0.00 O ATOM 1010 CB VAL A3300 1.919 -0.141 -2.176 1.00 0.00 C ATOM 1011 CG1 VAL A3300 2.121 0.822 -1.001 1.00 0.00 C ATOM 1012 CG2 VAL A3300 0.887 -1.215 -1.808 1.00 0.00 C ATOM 0 H VAL A3300 3.279 1.726 -3.281 1.00 0.00 H new ATOM 0 HA VAL A3300 1.346 -0.259 -4.185 1.00 0.00 H new ATOM 0 HB VAL A3300 2.885 -0.611 -2.362 1.00 0.00 H new ATOM 0 HG11 VAL A3300 2.388 0.256 -0.109 1.00 0.00 H new ATOM 0 HG12 VAL A3300 2.921 1.523 -1.239 1.00 0.00 H new ATOM 0 HG13 VAL A3300 1.198 1.372 -0.819 1.00 0.00 H new ATOM 0 HG21 VAL A3300 1.180 -1.696 -0.875 1.00 0.00 H new ATOM 0 HG22 VAL A3300 -0.092 -0.752 -1.686 1.00 0.00 H new ATOM 0 HG23 VAL A3300 0.839 -1.961 -2.601 1.00 0.00 H new ATOM 1022 N GLN A3301 0.249 2.645 -3.026 1.00 0.00 N ATOM 1023 CA GLN A3301 -0.969 3.459 -2.990 1.00 0.00 C ATOM 1024 C GLN A3301 -1.499 3.641 -4.411 1.00 0.00 C ATOM 1025 O GLN A3301 -2.711 3.769 -4.563 1.00 0.00 O ATOM 1026 CB GLN A3301 -0.813 4.774 -2.210 1.00 0.00 C ATOM 1027 CG GLN A3301 0.090 5.806 -2.887 1.00 0.00 C ATOM 1028 CD GLN A3301 -0.579 6.911 -3.705 1.00 0.00 C ATOM 1029 OE1 GLN A3301 -0.024 7.998 -3.800 1.00 0.00 O ATOM 1030 NE2 GLN A3301 -1.712 6.662 -4.342 1.00 0.00 N ATOM 0 H GLN A3301 1.088 3.127 -2.703 1.00 0.00 H new ATOM 0 HA GLN A3301 -1.722 2.920 -2.415 1.00 0.00 H new ATOM 0 HB2 GLN A3301 -1.799 5.214 -2.062 1.00 0.00 H new ATOM 0 HB3 GLN A3301 -0.412 4.551 -1.221 1.00 0.00 H new ATOM 0 HG2 GLN A3301 0.694 6.281 -2.114 1.00 0.00 H new ATOM 0 HG3 GLN A3301 0.776 5.271 -3.544 1.00 0.00 H new ATOM 0 HE21 GLN A3301 -2.159 5.750 -4.250 1.00 0.00 H new ATOM 0 HE22 GLN A3301 -2.138 7.382 -4.925 1.00 0.00 H new ATOM 1039 N LYS A3302 -0.626 3.662 -5.432 1.00 0.00 N ATOM 1040 CA LYS A3302 -1.008 3.790 -6.840 1.00 0.00 C ATOM 1041 C LYS A3302 -1.958 2.659 -7.230 1.00 0.00 C ATOM 1042 O LYS A3302 -2.735 2.797 -8.173 1.00 0.00 O ATOM 1043 CB LYS A3302 0.222 3.832 -7.754 1.00 0.00 C ATOM 1044 CG LYS A3302 0.626 5.288 -8.043 1.00 0.00 C ATOM 1045 CD LYS A3302 2.036 5.395 -8.635 1.00 0.00 C ATOM 1046 CE LYS A3302 2.202 4.494 -9.859 1.00 0.00 C ATOM 1047 NZ LYS A3302 3.371 4.863 -10.675 1.00 0.00 N ATOM 0 H LYS A3302 0.382 3.589 -5.295 1.00 0.00 H new ATOM 0 HA LYS A3302 -1.531 4.738 -6.970 1.00 0.00 H new ATOM 0 HB2 LYS A3302 1.051 3.305 -7.283 1.00 0.00 H new ATOM 0 HB3 LYS A3302 0.006 3.315 -8.689 1.00 0.00 H new ATOM 0 HG2 LYS A3302 -0.090 5.731 -8.735 1.00 0.00 H new ATOM 0 HG3 LYS A3302 0.577 5.866 -7.120 1.00 0.00 H new ATOM 0 HD2 LYS A3302 2.237 6.429 -8.914 1.00 0.00 H new ATOM 0 HD3 LYS A3302 2.771 5.121 -7.878 1.00 0.00 H new ATOM 0 HE2 LYS A3302 2.302 3.459 -9.533 1.00 0.00 H new ATOM 0 HE3 LYS A3302 1.303 4.550 -10.472 1.00 0.00 H new ATOM 0 HZ1 LYS A3302 3.460 4.202 -11.473 1.00 0.00 H new ATOM 0 HZ2 LYS A3302 3.250 5.830 -11.038 1.00 0.00 H new ATOM 0 HZ3 LYS A3302 4.230 4.817 -10.091 1.00 0.00 H new ATOM 1061 N GLU A3303 -1.854 1.513 -6.563 1.00 0.00 N ATOM 1062 CA GLU A3303 -2.729 0.375 -6.813 1.00 0.00 C ATOM 1063 C GLU A3303 -4.115 0.718 -6.230 1.00 0.00 C ATOM 1064 O GLU A3303 -5.129 0.707 -6.927 1.00 0.00 O ATOM 1065 CB GLU A3303 -2.058 -0.927 -6.281 1.00 0.00 C ATOM 1066 CG GLU A3303 -2.623 -1.530 -4.982 1.00 0.00 C ATOM 1067 CD GLU A3303 -1.786 -2.635 -4.321 1.00 0.00 C ATOM 1068 OE1 GLU A3303 -0.683 -2.986 -4.799 1.00 0.00 O ATOM 1069 OE2 GLU A3303 -2.240 -3.153 -3.278 1.00 0.00 O ATOM 0 H GLU A3303 -1.160 1.349 -5.834 1.00 0.00 H new ATOM 0 HA GLU A3303 -2.887 0.175 -7.873 1.00 0.00 H new ATOM 0 HB2 GLU A3303 -2.125 -1.685 -7.062 1.00 0.00 H new ATOM 0 HB3 GLU A3303 -0.999 -0.722 -6.125 1.00 0.00 H new ATOM 0 HG2 GLU A3303 -2.755 -0.724 -4.260 1.00 0.00 H new ATOM 0 HG3 GLU A3303 -3.613 -1.933 -5.195 1.00 0.00 H new ATOM 1076 N LEU A3304 -4.149 1.175 -4.977 1.00 0.00 N ATOM 1077 CA LEU A3304 -5.345 1.508 -4.225 1.00 0.00 C ATOM 1078 C LEU A3304 -6.163 2.671 -4.769 1.00 0.00 C ATOM 1079 O LEU A3304 -7.386 2.690 -4.626 1.00 0.00 O ATOM 1080 CB LEU A3304 -4.924 1.836 -2.795 1.00 0.00 C ATOM 1081 CG LEU A3304 -4.098 0.760 -2.066 1.00 0.00 C ATOM 1082 CD1 LEU A3304 -3.781 1.265 -0.669 1.00 0.00 C ATOM 1083 CD2 LEU A3304 -4.749 -0.620 -1.990 1.00 0.00 C ATOM 0 H LEU A3304 -3.296 1.328 -4.438 1.00 0.00 H new ATOM 0 HA LEU A3304 -5.998 0.638 -4.296 1.00 0.00 H new ATOM 0 HB2 LEU A3304 -4.345 2.760 -2.811 1.00 0.00 H new ATOM 0 HB3 LEU A3304 -5.822 2.033 -2.210 1.00 0.00 H new ATOM 0 HG LEU A3304 -3.196 0.607 -2.659 1.00 0.00 H new ATOM 0 HD11 LEU A3304 -3.196 0.516 -0.136 1.00 0.00 H new ATOM 0 HD12 LEU A3304 -3.210 2.191 -0.738 1.00 0.00 H new ATOM 0 HD13 LEU A3304 -4.710 1.451 -0.130 1.00 0.00 H new ATOM 0 HD21 LEU A3304 -4.089 -1.305 -1.458 1.00 0.00 H new ATOM 0 HD22 LEU A3304 -5.698 -0.546 -1.459 1.00 0.00 H new ATOM 0 HD23 LEU A3304 -4.925 -0.995 -2.998 1.00 0.00 H new ATOM 1095 N GLU A3305 -5.514 3.662 -5.370 1.00 0.00 N ATOM 1096 CA GLU A3305 -6.202 4.827 -5.920 1.00 0.00 C ATOM 1097 C GLU A3305 -7.146 4.469 -7.069 1.00 0.00 C ATOM 1098 O GLU A3305 -7.970 5.307 -7.433 1.00 0.00 O ATOM 1099 CB GLU A3305 -5.231 5.956 -6.269 1.00 0.00 C ATOM 1100 CG GLU A3305 -4.156 5.423 -7.195 1.00 0.00 C ATOM 1101 CD GLU A3305 -3.262 6.526 -7.750 1.00 0.00 C ATOM 1102 OE1 GLU A3305 -3.461 6.887 -8.936 1.00 0.00 O ATOM 1103 OE2 GLU A3305 -2.403 7.039 -7.007 1.00 0.00 O ATOM 0 H GLU A3305 -4.501 3.682 -5.490 1.00 0.00 H new ATOM 0 HA GLU A3305 -6.844 5.213 -5.128 1.00 0.00 H new ATOM 0 HB2 GLU A3305 -5.766 6.776 -6.748 1.00 0.00 H new ATOM 0 HB3 GLU A3305 -4.780 6.357 -5.361 1.00 0.00 H new ATOM 0 HG2 GLU A3305 -3.543 4.700 -6.656 1.00 0.00 H new ATOM 0 HG3 GLU A3305 -4.625 4.890 -8.022 1.00 0.00 H new ATOM 1110 N ASN A3306 -6.980 3.292 -7.682 1.00 0.00 N ATOM 1111 CA ASN A3306 -7.838 2.802 -8.755 1.00 0.00 C ATOM 1112 C ASN A3306 -8.597 1.530 -8.366 1.00 0.00 C ATOM 1113 O ASN A3306 -9.209 0.900 -9.230 1.00 0.00 O ATOM 1114 CB ASN A3306 -7.116 2.749 -10.099 1.00 0.00 C ATOM 1115 CG ASN A3306 -6.211 1.557 -10.311 1.00 0.00 C ATOM 1116 OD1 ASN A3306 -6.556 0.619 -11.026 1.00 0.00 O ATOM 1117 ND2 ASN A3306 -4.987 1.612 -9.826 1.00 0.00 N ATOM 0 H ASN A3306 -6.230 2.645 -7.438 1.00 0.00 H new ATOM 0 HA ASN A3306 -8.626 3.540 -8.907 1.00 0.00 H new ATOM 0 HB2 ASN A3306 -7.863 2.760 -10.893 1.00 0.00 H new ATOM 0 HB3 ASN A3306 -6.522 3.657 -10.208 1.00 0.00 H new ATOM 0 HD21 ASN A3306 -4.319 0.873 -10.043 1.00 0.00 H new ATOM 0 HD22 ASN A3306 -4.708 2.394 -9.233 1.00 0.00 H new ATOM 1124 N LEU A3307 -8.509 1.077 -7.108 1.00 0.00 N ATOM 1125 CA LEU A3307 -9.237 -0.122 -6.683 1.00 0.00 C ATOM 1126 C LEU A3307 -10.647 0.278 -6.245 1.00 0.00 C ATOM 1127 O LEU A3307 -10.897 1.436 -5.912 1.00 0.00 O ATOM 1128 CB LEU A3307 -8.512 -0.862 -5.544 1.00 0.00 C ATOM 1129 CG LEU A3307 -7.810 -2.208 -5.856 1.00 0.00 C ATOM 1130 CD1 LEU A3307 -8.149 -2.889 -7.186 1.00 0.00 C ATOM 1131 CD2 LEU A3307 -6.297 -2.091 -5.804 1.00 0.00 C ATOM 0 H LEU A3307 -7.949 1.517 -6.378 1.00 0.00 H new ATOM 0 HA LEU A3307 -9.290 -0.809 -7.528 1.00 0.00 H new ATOM 0 HB2 LEU A3307 -7.761 -0.185 -5.136 1.00 0.00 H new ATOM 0 HB3 LEU A3307 -9.240 -1.045 -4.753 1.00 0.00 H new ATOM 0 HG LEU A3307 -8.214 -2.837 -5.063 1.00 0.00 H new ATOM 0 HD11 LEU A3307 -7.587 -3.819 -7.272 1.00 0.00 H new ATOM 0 HD12 LEU A3307 -9.217 -3.105 -7.222 1.00 0.00 H new ATOM 0 HD13 LEU A3307 -7.885 -2.228 -8.011 1.00 0.00 H new ATOM 0 HD21 LEU A3307 -5.849 -3.059 -6.029 1.00 0.00 H new ATOM 0 HD22 LEU A3307 -5.963 -1.357 -6.538 1.00 0.00 H new ATOM 0 HD23 LEU A3307 -5.991 -1.773 -4.808 1.00 0.00 H new ATOM 1143 N SER A3308 -11.580 -0.670 -6.304 1.00 0.00 N ATOM 1144 CA SER A3308 -12.977 -0.516 -5.910 1.00 0.00 C ATOM 1145 C SER A3308 -13.161 -0.795 -4.414 1.00 0.00 C ATOM 1146 O SER A3308 -12.254 -1.323 -3.777 1.00 0.00 O ATOM 1147 CB SER A3308 -13.806 -1.445 -6.791 1.00 0.00 C ATOM 1148 OG SER A3308 -13.895 -0.937 -8.117 1.00 0.00 O ATOM 0 H SER A3308 -11.372 -1.609 -6.643 1.00 0.00 H new ATOM 0 HA SER A3308 -13.313 0.510 -6.057 1.00 0.00 H new ATOM 0 HB2 SER A3308 -13.355 -2.437 -6.806 1.00 0.00 H new ATOM 0 HB3 SER A3308 -14.806 -1.556 -6.371 1.00 0.00 H new ATOM 0 HG SER A3308 -14.429 -1.548 -8.666 1.00 0.00 H new ATOM 1154 N GLU A3309 -14.330 -0.477 -3.840 1.00 0.00 N ATOM 1155 CA GLU A3309 -14.606 -0.696 -2.424 1.00 0.00 C ATOM 1156 C GLU A3309 -14.392 -2.156 -2.102 1.00 0.00 C ATOM 1157 O GLU A3309 -13.582 -2.442 -1.253 1.00 0.00 O ATOM 1158 CB GLU A3309 -16.069 -0.332 -2.072 1.00 0.00 C ATOM 1159 CG GLU A3309 -16.210 0.968 -1.288 1.00 0.00 C ATOM 1160 CD GLU A3309 -17.645 1.499 -1.177 1.00 0.00 C ATOM 1161 OE1 GLU A3309 -17.999 2.102 -0.130 1.00 0.00 O ATOM 1162 OE2 GLU A3309 -18.447 1.353 -2.131 1.00 0.00 O ATOM 0 H GLU A3309 -15.108 -0.060 -4.351 1.00 0.00 H new ATOM 0 HA GLU A3309 -13.935 -0.061 -1.845 1.00 0.00 H new ATOM 0 HB2 GLU A3309 -16.645 -0.253 -2.994 1.00 0.00 H new ATOM 0 HB3 GLU A3309 -16.506 -1.144 -1.491 1.00 0.00 H new ATOM 0 HG2 GLU A3309 -15.815 0.815 -0.284 1.00 0.00 H new ATOM 0 HG3 GLU A3309 -15.591 1.730 -1.761 1.00 0.00 H new ATOM 1169 N GLU A3310 -14.952 -3.073 -2.874 1.00 0.00 N ATOM 1170 CA GLU A3310 -14.869 -4.510 -2.650 1.00 0.00 C ATOM 1171 C GLU A3310 -13.432 -4.984 -2.476 1.00 0.00 C ATOM 1172 O GLU A3310 -13.210 -6.077 -1.966 1.00 0.00 O ATOM 1173 CB GLU A3310 -15.470 -5.204 -3.882 1.00 0.00 C ATOM 1174 CG GLU A3310 -16.966 -4.928 -4.074 1.00 0.00 C ATOM 1175 CD GLU A3310 -17.797 -5.832 -3.178 1.00 0.00 C ATOM 1176 OE1 GLU A3310 -18.128 -5.422 -2.044 1.00 0.00 O ATOM 1177 OE2 GLU A3310 -18.094 -6.973 -3.599 1.00 0.00 O ATOM 0 H GLU A3310 -15.496 -2.831 -3.702 1.00 0.00 H new ATOM 0 HA GLU A3310 -15.408 -4.753 -1.734 1.00 0.00 H new ATOM 0 HB2 GLU A3310 -14.932 -4.877 -4.772 1.00 0.00 H new ATOM 0 HB3 GLU A3310 -15.316 -6.279 -3.794 1.00 0.00 H new ATOM 0 HG2 GLU A3310 -17.181 -3.884 -3.846 1.00 0.00 H new ATOM 0 HG3 GLU A3310 -17.240 -5.089 -5.117 1.00 0.00 H new ATOM 1184 N GLU A3311 -12.493 -4.283 -3.105 1.00 0.00 N ATOM 1185 CA GLU A3311 -11.093 -4.596 -3.022 1.00 0.00 C ATOM 1186 C GLU A3311 -10.475 -4.030 -1.736 1.00 0.00 C ATOM 1187 O GLU A3311 -9.836 -4.741 -0.968 1.00 0.00 O ATOM 1188 CB GLU A3311 -10.442 -4.004 -4.277 1.00 0.00 C ATOM 1189 CG GLU A3311 -11.199 -4.326 -5.581 1.00 0.00 C ATOM 1190 CD GLU A3311 -10.980 -5.765 -6.043 1.00 0.00 C ATOM 1191 OE1 GLU A3311 -11.960 -6.539 -6.094 1.00 0.00 O ATOM 1192 OE2 GLU A3311 -9.818 -6.130 -6.338 1.00 0.00 O ATOM 0 H GLU A3311 -12.699 -3.474 -3.691 1.00 0.00 H new ATOM 0 HA GLU A3311 -10.930 -5.673 -2.979 1.00 0.00 H new ATOM 0 HB2 GLU A3311 -10.375 -2.922 -4.164 1.00 0.00 H new ATOM 0 HB3 GLU A3311 -9.422 -4.380 -4.358 1.00 0.00 H new ATOM 0 HG2 GLU A3311 -12.265 -4.154 -5.431 1.00 0.00 H new ATOM 0 HG3 GLU A3311 -10.873 -3.642 -6.365 1.00 0.00 H new ATOM 1199 N LEU A3312 -10.680 -2.724 -1.507 1.00 0.00 N ATOM 1200 CA LEU A3312 -10.154 -1.949 -0.377 1.00 0.00 C ATOM 1201 C LEU A3312 -10.871 -2.167 0.952 1.00 0.00 C ATOM 1202 O LEU A3312 -10.258 -2.450 1.980 1.00 0.00 O ATOM 1203 CB LEU A3312 -10.218 -0.439 -0.679 1.00 0.00 C ATOM 1204 CG LEU A3312 -9.772 -0.019 -2.088 1.00 0.00 C ATOM 1205 CD1 LEU A3312 -10.521 1.241 -2.507 1.00 0.00 C ATOM 1206 CD2 LEU A3312 -8.252 0.098 -2.177 1.00 0.00 C ATOM 0 H LEU A3312 -11.245 -2.154 -2.136 1.00 0.00 H new ATOM 0 HA LEU A3312 -9.132 -2.312 -0.266 1.00 0.00 H new ATOM 0 HB2 LEU A3312 -11.243 -0.100 -0.527 1.00 0.00 H new ATOM 0 HB3 LEU A3312 -9.598 0.084 0.049 1.00 0.00 H new ATOM 0 HG LEU A3312 -10.035 -0.795 -2.807 1.00 0.00 H new ATOM 0 HD11 LEU A3312 -10.203 1.538 -3.507 1.00 0.00 H new ATOM 0 HD12 LEU A3312 -11.593 1.043 -2.511 1.00 0.00 H new ATOM 0 HD13 LEU A3312 -10.303 2.045 -1.804 1.00 0.00 H new ATOM 0 HD21 LEU A3312 -7.969 0.397 -3.186 1.00 0.00 H new ATOM 0 HD22 LEU A3312 -7.902 0.846 -1.466 1.00 0.00 H new ATOM 0 HD23 LEU A3312 -7.799 -0.865 -1.943 1.00 0.00 H new ATOM 1218 N LEU A3313 -12.186 -1.983 0.929 1.00 0.00 N ATOM 1219 CA LEU A3313 -13.126 -2.136 2.019 1.00 0.00 C ATOM 1220 C LEU A3313 -12.923 -3.542 2.552 1.00 0.00 C ATOM 1221 O LEU A3313 -12.876 -3.711 3.764 1.00 0.00 O ATOM 1222 CB LEU A3313 -14.555 -1.826 1.497 1.00 0.00 C ATOM 1223 CG LEU A3313 -15.742 -2.103 2.436 1.00 0.00 C ATOM 1224 CD1 LEU A3313 -16.052 -3.594 2.611 1.00 0.00 C ATOM 1225 CD2 LEU A3313 -15.652 -1.443 3.809 1.00 0.00 C ATOM 0 H LEU A3313 -12.656 -1.698 0.070 1.00 0.00 H new ATOM 0 HA LEU A3313 -12.973 -1.441 2.845 1.00 0.00 H new ATOM 0 HB2 LEU A3313 -14.588 -0.773 1.219 1.00 0.00 H new ATOM 0 HB3 LEU A3313 -14.710 -2.402 0.584 1.00 0.00 H new ATOM 0 HG LEU A3313 -16.568 -1.629 1.905 1.00 0.00 H new ATOM 0 HD11 LEU A3313 -16.900 -3.713 3.286 1.00 0.00 H new ATOM 0 HD12 LEU A3313 -16.295 -4.031 1.643 1.00 0.00 H new ATOM 0 HD13 LEU A3313 -15.182 -4.100 3.029 1.00 0.00 H new ATOM 0 HD21 LEU A3313 -16.535 -1.699 4.394 1.00 0.00 H new ATOM 0 HD22 LEU A3313 -14.759 -1.797 4.325 1.00 0.00 H new ATOM 0 HD23 LEU A3313 -15.597 -0.361 3.690 1.00 0.00 H new ATOM 1237 N ALA A3314 -12.700 -4.528 1.680 1.00 0.00 N ATOM 1238 CA ALA A3314 -12.496 -5.879 2.153 1.00 0.00 C ATOM 1239 C ALA A3314 -11.205 -6.020 2.982 1.00 0.00 C ATOM 1240 O ALA A3314 -11.166 -6.847 3.888 1.00 0.00 O ATOM 1241 CB ALA A3314 -12.489 -6.821 0.951 1.00 0.00 C ATOM 0 H ALA A3314 -12.658 -4.411 0.668 1.00 0.00 H new ATOM 0 HA ALA A3314 -13.313 -6.142 2.824 1.00 0.00 H new ATOM 0 HB1 ALA A3314 -12.336 -7.845 1.292 1.00 0.00 H new ATOM 0 HB2 ALA A3314 -13.443 -6.751 0.429 1.00 0.00 H new ATOM 0 HB3 ALA A3314 -11.683 -6.540 0.273 1.00 0.00 H new ATOM 1247 N MET A3315 -10.167 -5.205 2.737 1.00 0.00 N ATOM 1248 CA MET A3315 -8.890 -5.293 3.464 1.00 0.00 C ATOM 1249 C MET A3315 -9.007 -4.705 4.861 1.00 0.00 C ATOM 1250 O MET A3315 -8.635 -5.327 5.854 1.00 0.00 O ATOM 1251 CB MET A3315 -7.735 -4.547 2.765 1.00 0.00 C ATOM 1252 CG MET A3315 -7.736 -4.573 1.242 1.00 0.00 C ATOM 1253 SD MET A3315 -6.162 -5.076 0.501 1.00 0.00 S ATOM 1254 CE MET A3315 -6.739 -5.477 -1.171 1.00 0.00 C ATOM 0 H MET A3315 -10.189 -4.468 2.032 1.00 0.00 H new ATOM 0 HA MET A3315 -8.666 -6.359 3.496 1.00 0.00 H new ATOM 0 HB2 MET A3315 -7.755 -3.506 3.089 1.00 0.00 H new ATOM 0 HB3 MET A3315 -6.794 -4.972 3.113 1.00 0.00 H new ATOM 0 HG2 MET A3315 -8.517 -5.253 0.903 1.00 0.00 H new ATOM 0 HG3 MET A3315 -7.996 -3.581 0.874 1.00 0.00 H new ATOM 0 HE1 MET A3315 -5.896 -5.809 -1.777 1.00 0.00 H new ATOM 0 HE2 MET A3315 -7.483 -6.271 -1.118 1.00 0.00 H new ATOM 0 HE3 MET A3315 -7.185 -4.592 -1.624 1.00 0.00 H new ATOM 1264 N LEU A3316 -9.452 -3.446 4.938 1.00 0.00 N ATOM 1265 CA LEU A3316 -9.624 -2.744 6.206 1.00 0.00 C ATOM 1266 C LEU A3316 -10.664 -3.437 7.078 1.00 0.00 C ATOM 1267 O LEU A3316 -10.494 -3.489 8.294 1.00 0.00 O ATOM 1268 CB LEU A3316 -9.990 -1.271 5.967 1.00 0.00 C ATOM 1269 CG LEU A3316 -11.242 -1.048 5.091 1.00 0.00 C ATOM 1270 CD1 LEU A3316 -12.532 -0.874 5.907 1.00 0.00 C ATOM 1271 CD2 LEU A3316 -11.087 0.222 4.262 1.00 0.00 C ATOM 0 H LEU A3316 -9.702 -2.889 4.121 1.00 0.00 H new ATOM 0 HA LEU A3316 -8.675 -2.771 6.741 1.00 0.00 H new ATOM 0 HB2 LEU A3316 -10.149 -0.790 6.932 1.00 0.00 H new ATOM 0 HB3 LEU A3316 -9.142 -0.772 5.498 1.00 0.00 H new ATOM 0 HG LEU A3316 -11.323 -1.942 4.473 1.00 0.00 H new ATOM 0 HD11 LEU A3316 -13.373 -0.721 5.230 1.00 0.00 H new ATOM 0 HD12 LEU A3316 -12.706 -1.767 6.507 1.00 0.00 H new ATOM 0 HD13 LEU A3316 -12.433 -0.010 6.564 1.00 0.00 H new ATOM 0 HD21 LEU A3316 -11.977 0.367 3.649 1.00 0.00 H new ATOM 0 HD22 LEU A3316 -10.960 1.077 4.926 1.00 0.00 H new ATOM 0 HD23 LEU A3316 -10.213 0.131 3.617 1.00 0.00 H new ATOM 1283 N ASN A3317 -11.715 -3.985 6.464 1.00 0.00 N ATOM 1284 CA ASN A3317 -12.769 -4.663 7.207 1.00 0.00 C ATOM 1285 C ASN A3317 -12.358 -6.087 7.566 1.00 0.00 C ATOM 1286 O ASN A3317 -12.719 -6.593 8.630 1.00 0.00 O ATOM 1287 CB ASN A3317 -14.019 -4.737 6.319 1.00 0.00 C ATOM 1288 CG ASN A3317 -15.277 -4.947 7.130 1.00 0.00 C ATOM 1289 OD1 ASN A3317 -15.614 -6.045 7.550 1.00 0.00 O ATOM 1290 ND2 ASN A3317 -15.988 -3.861 7.350 1.00 0.00 N ATOM 0 H ASN A3317 -11.855 -3.970 5.454 1.00 0.00 H new ATOM 0 HA ASN A3317 -12.961 -4.107 8.125 1.00 0.00 H new ATOM 0 HB2 ASN A3317 -14.109 -3.817 5.742 1.00 0.00 H new ATOM 0 HB3 ASN A3317 -13.908 -5.552 5.604 1.00 0.00 H new ATOM 0 HD21 ASN A3317 -16.853 -3.918 7.887 1.00 0.00 H new ATOM 0 HD22 ASN A3317 -15.674 -2.963 6.983 1.00 0.00 H new ATOM 1297 N GLY A3318 -11.475 -6.669 6.755 1.00 0.00 N ATOM 1298 CA GLY A3318 -10.999 -8.036 6.916 1.00 0.00 C ATOM 1299 C GLY A3318 -12.182 -8.954 6.607 1.00 0.00 C ATOM 1300 O GLY A3318 -12.592 -9.751 7.454 1.00 0.00 O ATOM 0 H GLY A3318 -11.064 -6.191 5.953 1.00 0.00 H new ATOM 0 HA2 GLY A3318 -10.167 -8.238 6.242 1.00 0.00 H new ATOM 0 HA3 GLY A3318 -10.635 -8.202 7.930 1.00 0.00 H new ATOM 1304 N ASP A3319 -12.770 -8.762 5.424 1.00 0.00 N ATOM 1305 CA ASP A3319 -13.920 -9.496 4.906 1.00 0.00 C ATOM 1306 C ASP A3319 -13.586 -10.981 4.834 1.00 0.00 C ATOM 1307 O ASP A3319 -12.746 -11.393 4.032 1.00 0.00 O ATOM 1308 CB ASP A3319 -14.314 -8.962 3.526 1.00 0.00 C ATOM 1309 CG ASP A3319 -15.616 -9.607 3.064 1.00 0.00 C ATOM 1310 OD1 ASP A3319 -16.671 -8.951 3.224 1.00 0.00 O ATOM 1311 OD2 ASP A3319 -15.604 -10.768 2.598 1.00 0.00 O ATOM 0 H ASP A3319 -12.437 -8.053 4.770 1.00 0.00 H new ATOM 0 HA ASP A3319 -14.768 -9.357 5.577 1.00 0.00 H new ATOM 0 HB2 ASP A3319 -14.431 -7.879 3.567 1.00 0.00 H new ATOM 0 HB3 ASP A3319 -13.521 -9.170 2.807 1.00 0.00 H new ATOM 1316 N GLN A3320 -14.176 -11.784 5.714 1.00 0.00 N ATOM 1317 CA GLN A3320 -13.951 -13.215 5.781 1.00 0.00 C ATOM 1318 C GLN A3320 -15.262 -13.844 6.226 1.00 0.00 C ATOM 1319 O GLN A3320 -15.544 -13.891 7.422 1.00 0.00 O ATOM 1320 CB GLN A3320 -12.794 -13.487 6.747 1.00 0.00 C ATOM 1321 CG GLN A3320 -12.398 -14.965 6.799 1.00 0.00 C ATOM 1322 CD GLN A3320 -11.348 -15.207 7.880 1.00 0.00 C ATOM 1323 OE1 GLN A3320 -10.466 -14.378 8.111 1.00 0.00 O ATOM 1324 NE2 GLN A3320 -11.430 -16.325 8.576 1.00 0.00 N ATOM 0 H GLN A3320 -14.837 -11.446 6.413 1.00 0.00 H new ATOM 0 HA GLN A3320 -13.665 -13.647 4.822 1.00 0.00 H new ATOM 0 HB2 GLN A3320 -11.930 -12.895 6.447 1.00 0.00 H new ATOM 0 HB3 GLN A3320 -13.076 -13.156 7.746 1.00 0.00 H new ATOM 0 HG2 GLN A3320 -13.279 -15.575 6.998 1.00 0.00 H new ATOM 0 HG3 GLN A3320 -12.007 -15.276 5.830 1.00 0.00 H new ATOM 0 HE21 GLN A3320 -12.167 -17.000 8.371 1.00 0.00 H new ATOM 0 HE22 GLN A3320 -10.757 -16.514 9.319 1.00 0.00 H new ATOM 1333 N GLN A3321 -16.097 -14.229 5.267 1.00 0.00 N ATOM 1334 CA GLN A3321 -17.394 -14.845 5.488 1.00 0.00 C ATOM 1335 C GLN A3321 -17.455 -15.965 4.474 1.00 0.00 C ATOM 1336 O GLN A3321 -17.905 -15.709 3.336 1.00 0.00 O ATOM 1337 CB GLN A3321 -18.529 -13.813 5.319 1.00 0.00 C ATOM 1338 CG GLN A3321 -18.512 -12.633 6.303 1.00 0.00 C ATOM 1339 CD GLN A3321 -18.950 -13.009 7.715 1.00 0.00 C ATOM 1340 OE1 GLN A3321 -20.105 -12.824 8.085 1.00 0.00 O ATOM 1341 NE2 GLN A3321 -18.063 -13.522 8.544 1.00 0.00 N ATOM 0 H GLN A3321 -15.878 -14.115 4.277 1.00 0.00 H new ATOM 0 HA GLN A3321 -17.521 -15.227 6.501 1.00 0.00 H new ATOM 0 HB2 GLN A3321 -18.486 -13.416 4.305 1.00 0.00 H new ATOM 0 HB3 GLN A3321 -19.483 -14.331 5.418 1.00 0.00 H new ATOM 0 HG2 GLN A3321 -17.505 -12.218 6.342 1.00 0.00 H new ATOM 0 HG3 GLN A3321 -19.166 -11.847 5.926 1.00 0.00 H new ATOM 0 HE21 GLN A3321 -17.103 -13.675 8.234 1.00 0.00 H new ATOM 0 HE22 GLN A3321 -18.336 -13.766 9.496 1.00 0.00 H new TER 1350 GLN A3321