USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 576 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 50 THR OG1 : rot -61:sc= 0.125 USER MOD Set 1.2: A 53 GLN : amide:sc= 1.57 K(o=1.7,f=-4.2!) USER MOD Set 2.1: A 40 LYS NZ :NH3+ -100:sc= 1.23 (180deg=0) USER MOD Set 2.2: A 55 ASN : amide:sc= -0.292 K(o=0.94,f=-15!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0855) USER MOD Single : A 9 ASN : amide:sc= -0.296 X(o=-0.3,f=-0.44!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -154:sc= -0.0219 (180deg=-0.801) USER MOD Single : A 17 HIS : no HD1:sc= -1.05! C(o=-1!,f=-4.2!) USER MOD Single : A 19 THR OG1 : rot -21:sc= 0.0329 USER MOD Single : A 20 ASN : amide:sc= -0.166 K(o=-0.17,f=-0.93) USER MOD Single : A 22 MET CE :methyl -156:sc= -1.26 (180deg=-3.42!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.28 X(o=-0.28,f=-0.28) USER MOD Single : A 29 HIS : no HD1:sc= -5.95 X(o=-5.9,f=-6!) USER MOD Single : A 32 HIS : no HD1:sc= -12! C(o=-12!,f=-14!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -142:sc= -0.704 USER MOD Single : A 41 LYS NZ :NH3+ -142:sc= 1.05 (180deg=-0.145) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.0038) USER MOD Single : A 46 GLN : amide:sc= -0.0618 X(o=-0.062,f=0) USER MOD Single : A 47 THR OG1 : rot -63:sc= 0.0844 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 ASN : amide:sc= 0.382 K(o=0.38,f=-0.18) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 28:sc= 0.484 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.486 -21.205 5.455 1.00 0.00 N ATOM 2 CA GLY A 1 4.226 -19.957 5.484 1.00 0.00 C ATOM 3 C GLY A 1 4.951 -19.744 6.798 1.00 0.00 C ATOM 4 O GLY A 1 4.324 -19.505 7.829 1.00 0.00 O ATOM 0 H1 GLY A 1 3.008 -21.304 4.537 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.142 -22.001 5.592 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.777 -21.206 6.216 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.949 -19.948 4.668 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.540 -19.127 5.312 1.00 0.00 H new ATOM 8 N SER A 2 6.277 -19.831 6.761 1.00 0.00 N ATOM 9 CA SER A 2 7.089 -19.651 7.959 1.00 0.00 C ATOM 10 C SER A 2 6.894 -18.254 8.542 1.00 0.00 C ATOM 11 O SER A 2 7.422 -17.272 8.019 1.00 0.00 O ATOM 12 CB SER A 2 8.567 -19.881 7.638 1.00 0.00 C ATOM 13 OG SER A 2 9.332 -20.004 8.825 1.00 0.00 O ATOM 0 H SER A 2 6.812 -20.025 5.914 1.00 0.00 H new ATOM 0 HA SER A 2 6.768 -20.383 8.700 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.676 -20.783 7.036 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.946 -19.052 7.041 1.00 0.00 H new ATOM 0 HG SER A 2 10.273 -20.152 8.594 1.00 0.00 H new ATOM 19 N SER A 3 6.133 -18.174 9.628 1.00 0.00 N ATOM 20 CA SER A 3 5.864 -16.898 10.281 1.00 0.00 C ATOM 21 C SER A 3 7.159 -16.125 10.515 1.00 0.00 C ATOM 22 O SER A 3 8.228 -16.714 10.668 1.00 0.00 O ATOM 23 CB SER A 3 5.144 -17.123 11.611 1.00 0.00 C ATOM 24 OG SER A 3 5.922 -17.923 12.484 1.00 0.00 O ATOM 0 H SER A 3 5.691 -18.978 10.075 1.00 0.00 H new ATOM 0 HA SER A 3 5.223 -16.310 9.625 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.936 -16.162 12.082 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.183 -17.605 11.431 1.00 0.00 H new ATOM 0 HG SER A 3 5.440 -18.050 13.328 1.00 0.00 H new ATOM 30 N GLY A 4 7.052 -14.800 10.542 1.00 0.00 N ATOM 31 CA GLY A 4 8.221 -13.966 10.758 1.00 0.00 C ATOM 32 C GLY A 4 8.210 -13.292 12.116 1.00 0.00 C ATOM 33 O GLY A 4 7.147 -13.050 12.687 1.00 0.00 O ATOM 0 H GLY A 4 6.178 -14.289 10.418 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.120 -14.575 10.666 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.270 -13.205 9.979 1.00 0.00 H new ATOM 37 N SER A 5 9.396 -12.991 12.635 1.00 0.00 N ATOM 38 CA SER A 5 9.519 -12.346 13.937 1.00 0.00 C ATOM 39 C SER A 5 9.031 -10.902 13.876 1.00 0.00 C ATOM 40 O SER A 5 8.716 -10.386 12.804 1.00 0.00 O ATOM 41 CB SER A 5 10.971 -12.387 14.414 1.00 0.00 C ATOM 42 OG SER A 5 11.046 -12.327 15.828 1.00 0.00 O ATOM 0 H SER A 5 10.285 -13.183 12.174 1.00 0.00 H new ATOM 0 HA SER A 5 8.896 -12.891 14.646 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.447 -13.301 14.060 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.523 -11.552 13.982 1.00 0.00 H new ATOM 0 HG SER A 5 11.985 -12.357 16.107 1.00 0.00 H new ATOM 48 N SER A 6 8.973 -10.254 15.035 1.00 0.00 N ATOM 49 CA SER A 6 8.521 -8.870 15.116 1.00 0.00 C ATOM 50 C SER A 6 9.544 -8.006 15.848 1.00 0.00 C ATOM 51 O SER A 6 10.182 -8.453 16.800 1.00 0.00 O ATOM 52 CB SER A 6 7.169 -8.794 15.828 1.00 0.00 C ATOM 53 OG SER A 6 7.214 -9.457 17.080 1.00 0.00 O ATOM 0 H SER A 6 9.233 -10.665 15.931 1.00 0.00 H new ATOM 0 HA SER A 6 8.411 -8.490 14.101 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.890 -7.751 15.975 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.399 -9.244 15.202 1.00 0.00 H new ATOM 0 HG SER A 6 6.339 -9.393 17.516 1.00 0.00 H new ATOM 59 N GLY A 7 9.694 -6.766 15.394 1.00 0.00 N ATOM 60 CA GLY A 7 10.640 -5.858 16.016 1.00 0.00 C ATOM 61 C GLY A 7 11.594 -5.239 15.014 1.00 0.00 C ATOM 62 O GLY A 7 11.620 -4.020 14.841 1.00 0.00 O ATOM 0 H GLY A 7 9.178 -6.374 14.607 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.095 -5.067 16.531 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.211 -6.396 16.773 1.00 0.00 H new ATOM 66 N LYS A 8 12.382 -6.080 14.352 1.00 0.00 N ATOM 67 CA LYS A 8 13.343 -5.609 13.362 1.00 0.00 C ATOM 68 C LYS A 8 12.732 -4.522 12.484 1.00 0.00 C ATOM 69 O LYS A 8 11.658 -4.704 11.911 1.00 0.00 O ATOM 70 CB LYS A 8 13.821 -6.774 12.491 1.00 0.00 C ATOM 71 CG LYS A 8 14.660 -7.791 13.244 1.00 0.00 C ATOM 72 CD LYS A 8 16.015 -7.221 13.630 1.00 0.00 C ATOM 73 CE LYS A 8 16.979 -8.316 14.058 1.00 0.00 C ATOM 74 NZ LYS A 8 17.465 -9.113 12.897 1.00 0.00 N ATOM 0 H LYS A 8 12.374 -7.091 14.483 1.00 0.00 H new ATOM 0 HA LYS A 8 14.196 -5.186 13.893 1.00 0.00 H new ATOM 0 HB2 LYS A 8 12.954 -7.276 12.063 1.00 0.00 H new ATOM 0 HB3 LYS A 8 14.404 -6.379 11.659 1.00 0.00 H new ATOM 0 HG2 LYS A 8 14.129 -8.109 14.141 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.800 -8.678 12.626 1.00 0.00 H new ATOM 0 HD2 LYS A 8 16.435 -6.675 12.785 1.00 0.00 H new ATOM 0 HD3 LYS A 8 15.892 -6.505 14.443 1.00 0.00 H new ATOM 0 HE2 LYS A 8 17.829 -7.870 14.574 1.00 0.00 H new ATOM 0 HE3 LYS A 8 16.485 -8.977 14.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 18.264 -9.708 13.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 16.696 -9.717 12.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 17.775 -8.470 12.140 1.00 0.00 H new ATOM 88 N ASN A 9 13.424 -3.392 12.381 1.00 0.00 N ATOM 89 CA ASN A 9 12.949 -2.275 11.572 1.00 0.00 C ATOM 90 C ASN A 9 14.086 -1.676 10.751 1.00 0.00 C ATOM 91 O ASN A 9 15.242 -1.680 11.176 1.00 0.00 O ATOM 92 CB ASN A 9 12.326 -1.200 12.464 1.00 0.00 C ATOM 93 CG ASN A 9 13.191 -0.875 13.667 1.00 0.00 C ATOM 94 OD1 ASN A 9 14.415 -0.797 13.563 1.00 0.00 O ATOM 95 ND2 ASN A 9 12.556 -0.684 14.818 1.00 0.00 N ATOM 0 H ASN A 9 14.316 -3.225 12.848 1.00 0.00 H new ATOM 0 HA ASN A 9 12.190 -2.652 10.887 1.00 0.00 H new ATOM 0 HB2 ASN A 9 12.166 -0.294 11.879 1.00 0.00 H new ATOM 0 HB3 ASN A 9 11.347 -1.537 12.804 1.00 0.00 H new ATOM 0 HD21 ASN A 9 13.085 -0.463 15.662 1.00 0.00 H new ATOM 0 HD22 ASN A 9 11.540 -0.759 14.858 1.00 0.00 H new ATOM 102 N LYS A 10 13.751 -1.160 9.573 1.00 0.00 N ATOM 103 CA LYS A 10 14.743 -0.554 8.693 1.00 0.00 C ATOM 104 C LYS A 10 14.087 0.437 7.736 1.00 0.00 C ATOM 105 O LYS A 10 12.994 0.191 7.225 1.00 0.00 O ATOM 106 CB LYS A 10 15.478 -1.636 7.899 1.00 0.00 C ATOM 107 CG LYS A 10 16.636 -1.103 7.073 1.00 0.00 C ATOM 108 CD LYS A 10 17.933 -1.105 7.865 1.00 0.00 C ATOM 109 CE LYS A 10 19.064 -0.455 7.083 1.00 0.00 C ATOM 110 NZ LYS A 10 20.394 -0.738 7.692 1.00 0.00 N ATOM 0 H LYS A 10 12.799 -1.150 9.206 1.00 0.00 H new ATOM 0 HA LYS A 10 15.461 -0.015 9.311 1.00 0.00 H new ATOM 0 HB2 LYS A 10 15.853 -2.391 8.590 1.00 0.00 H new ATOM 0 HB3 LYS A 10 14.769 -2.134 7.237 1.00 0.00 H new ATOM 0 HG2 LYS A 10 16.755 -1.711 6.176 1.00 0.00 H new ATOM 0 HG3 LYS A 10 16.412 -0.089 6.742 1.00 0.00 H new ATOM 0 HD2 LYS A 10 17.787 -0.574 8.806 1.00 0.00 H new ATOM 0 HD3 LYS A 10 18.205 -2.130 8.117 1.00 0.00 H new ATOM 0 HE2 LYS A 10 19.050 -0.818 6.055 1.00 0.00 H new ATOM 0 HE3 LYS A 10 18.905 0.623 7.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 21.138 -0.278 7.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 20.416 -0.369 8.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 20.557 -1.765 7.708 1.00 0.00 H new ATOM 124 N ARG A 11 14.763 1.556 7.496 1.00 0.00 N ATOM 125 CA ARG A 11 14.246 2.583 6.600 1.00 0.00 C ATOM 126 C ARG A 11 14.440 2.180 5.141 1.00 0.00 C ATOM 127 O ARG A 11 15.500 2.406 4.559 1.00 0.00 O ATOM 128 CB ARG A 11 14.940 3.920 6.867 1.00 0.00 C ATOM 129 CG ARG A 11 14.299 5.094 6.146 1.00 0.00 C ATOM 130 CD ARG A 11 14.958 6.410 6.529 1.00 0.00 C ATOM 131 NE ARG A 11 14.395 7.539 5.793 1.00 0.00 N ATOM 132 CZ ARG A 11 15.047 8.676 5.581 1.00 0.00 C ATOM 133 NH1 ARG A 11 16.278 8.835 6.047 1.00 0.00 N ATOM 134 NH2 ARG A 11 14.467 9.658 4.901 1.00 0.00 N ATOM 0 H ARG A 11 15.670 1.774 7.909 1.00 0.00 H new ATOM 0 HA ARG A 11 13.178 2.691 6.790 1.00 0.00 H new ATOM 0 HB2 ARG A 11 14.933 4.115 7.939 1.00 0.00 H new ATOM 0 HB3 ARG A 11 15.984 3.845 6.564 1.00 0.00 H new ATOM 0 HG2 ARG A 11 14.376 4.947 5.069 1.00 0.00 H new ATOM 0 HG3 ARG A 11 13.237 5.134 6.387 1.00 0.00 H new ATOM 0 HD2 ARG A 11 14.837 6.578 7.599 1.00 0.00 H new ATOM 0 HD3 ARG A 11 16.029 6.349 6.335 1.00 0.00 H new ATOM 0 HE ARG A 11 13.449 7.449 5.422 1.00 0.00 H new ATOM 0 HH11 ARG A 11 16.727 8.083 6.570 1.00 0.00 H new ATOM 0 HH12 ARG A 11 16.777 9.710 5.883 1.00 0.00 H new ATOM 0 HH21 ARG A 11 13.520 9.539 4.541 1.00 0.00 H new ATOM 0 HH22 ARG A 11 14.968 10.531 4.739 1.00 0.00 H new ATOM 148 N GLY A 12 13.408 1.580 4.556 1.00 0.00 N ATOM 149 CA GLY A 12 13.485 1.154 3.171 1.00 0.00 C ATOM 150 C GLY A 12 12.804 2.125 2.226 1.00 0.00 C ATOM 151 O GLY A 12 12.416 3.222 2.627 1.00 0.00 O ATOM 0 H GLY A 12 12.520 1.381 5.017 1.00 0.00 H new ATOM 0 HA2 GLY A 12 14.531 1.047 2.885 1.00 0.00 H new ATOM 0 HA3 GLY A 12 13.025 0.171 3.070 1.00 0.00 H new ATOM 155 N VAL A 13 12.661 1.722 0.968 1.00 0.00 N ATOM 156 CA VAL A 13 12.023 2.565 -0.037 1.00 0.00 C ATOM 157 C VAL A 13 11.070 1.755 -0.909 1.00 0.00 C ATOM 158 O VAL A 13 11.320 0.585 -1.200 1.00 0.00 O ATOM 159 CB VAL A 13 13.067 3.252 -0.937 1.00 0.00 C ATOM 160 CG1 VAL A 13 12.381 4.058 -2.030 1.00 0.00 C ATOM 161 CG2 VAL A 13 13.986 4.137 -0.108 1.00 0.00 C ATOM 0 H VAL A 13 12.978 0.817 0.620 1.00 0.00 H new ATOM 0 HA VAL A 13 11.459 3.328 0.500 1.00 0.00 H new ATOM 0 HB VAL A 13 13.674 2.482 -1.413 1.00 0.00 H new ATOM 0 HG11 VAL A 13 13.134 4.536 -2.656 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.769 3.395 -2.641 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.748 4.821 -1.577 1.00 0.00 H new ATOM 0 HG21 VAL A 13 14.717 4.614 -0.760 1.00 0.00 H new ATOM 0 HG22 VAL A 13 13.396 4.902 0.397 1.00 0.00 H new ATOM 0 HG23 VAL A 13 14.504 3.530 0.634 1.00 0.00 H new ATOM 171 N LEU A 14 9.977 2.386 -1.323 1.00 0.00 N ATOM 172 CA LEU A 14 8.984 1.724 -2.163 1.00 0.00 C ATOM 173 C LEU A 14 8.491 2.660 -3.262 1.00 0.00 C ATOM 174 O LEU A 14 8.430 3.878 -3.094 1.00 0.00 O ATOM 175 CB LEU A 14 7.804 1.249 -1.315 1.00 0.00 C ATOM 176 CG LEU A 14 8.128 0.221 -0.230 1.00 0.00 C ATOM 177 CD1 LEU A 14 6.898 -0.068 0.617 1.00 0.00 C ATOM 178 CD2 LEU A 14 8.662 -1.061 -0.852 1.00 0.00 C ATOM 0 H LEU A 14 9.756 3.354 -1.091 1.00 0.00 H new ATOM 0 HA LEU A 14 9.457 0.861 -2.631 1.00 0.00 H new ATOM 0 HB2 LEU A 14 7.351 2.119 -0.840 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.053 0.822 -1.980 1.00 0.00 H new ATOM 0 HG LEU A 14 8.900 0.637 0.417 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.148 -0.802 1.383 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.559 0.852 1.092 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.104 -0.462 -0.017 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.887 -1.781 -0.065 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.912 -1.480 -1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.570 -0.842 -1.414 1.00 0.00 H new ATOM 190 N PRO A 15 8.128 2.079 -4.415 1.00 0.00 N ATOM 191 CA PRO A 15 7.630 2.842 -5.564 1.00 0.00 C ATOM 192 C PRO A 15 6.247 3.433 -5.312 1.00 0.00 C ATOM 193 O PRO A 15 5.467 2.899 -4.524 1.00 0.00 O ATOM 194 CB PRO A 15 7.571 1.800 -6.683 1.00 0.00 C ATOM 195 CG PRO A 15 7.418 0.496 -5.979 1.00 0.00 C ATOM 196 CD PRO A 15 8.174 0.632 -4.686 1.00 0.00 C ATOM 0 HA PRO A 15 8.266 3.697 -5.792 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.734 1.988 -7.355 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.477 1.819 -7.289 1.00 0.00 H new ATOM 0 HG2 PRO A 15 6.367 0.273 -5.795 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.817 -0.321 -6.580 1.00 0.00 H new ATOM 0 HD2 PRO A 15 7.707 0.058 -3.885 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.199 0.273 -4.780 1.00 0.00 H new ATOM 204 N LYS A 16 5.949 4.537 -5.988 1.00 0.00 N ATOM 205 CA LYS A 16 4.659 5.201 -5.839 1.00 0.00 C ATOM 206 C LYS A 16 3.514 4.237 -6.136 1.00 0.00 C ATOM 207 O LYS A 16 2.466 4.285 -5.492 1.00 0.00 O ATOM 208 CB LYS A 16 4.575 6.412 -6.771 1.00 0.00 C ATOM 209 CG LYS A 16 3.526 7.428 -6.355 1.00 0.00 C ATOM 210 CD LYS A 16 3.949 8.187 -5.108 1.00 0.00 C ATOM 211 CE LYS A 16 4.731 9.444 -5.459 1.00 0.00 C ATOM 212 NZ LYS A 16 6.194 9.179 -5.548 1.00 0.00 N ATOM 0 H LYS A 16 6.583 4.991 -6.645 1.00 0.00 H new ATOM 0 HA LYS A 16 4.569 5.538 -4.806 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.549 6.901 -6.806 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.355 6.068 -7.781 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.356 8.131 -7.170 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.580 6.920 -6.170 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.066 8.456 -4.528 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.560 7.541 -4.477 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.375 9.840 -6.410 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.546 10.210 -4.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.718 10.055 -5.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.458 8.452 -4.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.429 8.845 -6.505 1.00 0.00 H new ATOM 226 N HIS A 17 3.722 3.362 -7.115 1.00 0.00 N ATOM 227 CA HIS A 17 2.708 2.385 -7.495 1.00 0.00 C ATOM 228 C HIS A 17 2.296 1.535 -6.297 1.00 0.00 C ATOM 229 O HIS A 17 1.111 1.280 -6.083 1.00 0.00 O ATOM 230 CB HIS A 17 3.230 1.487 -8.617 1.00 0.00 C ATOM 231 CG HIS A 17 2.368 0.289 -8.875 1.00 0.00 C ATOM 232 ND1 HIS A 17 1.000 0.365 -9.025 1.00 0.00 N ATOM 233 CD2 HIS A 17 2.688 -1.019 -9.011 1.00 0.00 C ATOM 234 CE1 HIS A 17 0.515 -0.845 -9.241 1.00 0.00 C ATOM 235 NE2 HIS A 17 1.519 -1.703 -9.238 1.00 0.00 N ATOM 0 H HIS A 17 4.583 3.310 -7.659 1.00 0.00 H new ATOM 0 HA HIS A 17 1.832 2.927 -7.851 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.308 2.072 -9.533 1.00 0.00 H new ATOM 0 HB3 HIS A 17 4.237 1.153 -8.365 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.678 -1.446 -8.952 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -0.526 -1.091 -9.394 1.00 0.00 H new ATOM 0 HE2 HIS A 17 1.439 -2.710 -9.381 1.00 0.00 H new ATOM 244 N ALA A 18 3.282 1.100 -5.519 1.00 0.00 N ATOM 245 CA ALA A 18 3.021 0.280 -4.342 1.00 0.00 C ATOM 246 C ALA A 18 2.386 1.105 -3.228 1.00 0.00 C ATOM 247 O ALA A 18 1.386 0.700 -2.634 1.00 0.00 O ATOM 248 CB ALA A 18 4.309 -0.366 -3.854 1.00 0.00 C ATOM 0 H ALA A 18 4.268 1.302 -5.682 1.00 0.00 H new ATOM 0 HA ALA A 18 2.318 -0.504 -4.624 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.100 -0.975 -2.975 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.722 -0.996 -4.642 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.030 0.410 -3.595 1.00 0.00 H new ATOM 254 N THR A 19 2.973 2.265 -2.948 1.00 0.00 N ATOM 255 CA THR A 19 2.465 3.146 -1.904 1.00 0.00 C ATOM 256 C THR A 19 1.027 3.565 -2.189 1.00 0.00 C ATOM 257 O THR A 19 0.257 3.839 -1.270 1.00 0.00 O ATOM 258 CB THR A 19 3.337 4.408 -1.761 1.00 0.00 C ATOM 259 OG1 THR A 19 3.271 5.187 -2.960 1.00 0.00 O ATOM 260 CG2 THR A 19 4.783 4.036 -1.470 1.00 0.00 C ATOM 0 H THR A 19 3.801 2.616 -3.430 1.00 0.00 H new ATOM 0 HA THR A 19 2.498 2.583 -0.971 1.00 0.00 H new ATOM 0 HB THR A 19 2.955 4.995 -0.926 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.990 4.617 -3.706 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.380 4.943 -1.373 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.833 3.468 -0.541 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.174 3.430 -2.287 1.00 0.00 H new ATOM 268 N ASN A 20 0.673 3.613 -3.469 1.00 0.00 N ATOM 269 CA ASN A 20 -0.674 3.999 -3.875 1.00 0.00 C ATOM 270 C ASN A 20 -1.712 3.042 -3.297 1.00 0.00 C ATOM 271 O ASN A 20 -2.599 3.450 -2.547 1.00 0.00 O ATOM 272 CB ASN A 20 -0.781 4.023 -5.402 1.00 0.00 C ATOM 273 CG ASN A 20 -0.417 5.375 -5.985 1.00 0.00 C ATOM 274 OD1 ASN A 20 -0.739 6.417 -5.415 1.00 0.00 O ATOM 275 ND2 ASN A 20 0.260 5.362 -7.128 1.00 0.00 N ATOM 0 H ASN A 20 1.299 3.390 -4.243 1.00 0.00 H new ATOM 0 HA ASN A 20 -0.871 4.998 -3.487 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.125 3.261 -5.822 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.798 3.765 -5.697 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.534 6.240 -7.568 1.00 0.00 H new ATOM 0 HD22 ASN A 20 0.506 4.474 -7.565 1.00 0.00 H new ATOM 282 N VAL A 21 -1.594 1.766 -3.650 1.00 0.00 N ATOM 283 CA VAL A 21 -2.521 0.750 -3.165 1.00 0.00 C ATOM 284 C VAL A 21 -2.640 0.795 -1.646 1.00 0.00 C ATOM 285 O VAL A 21 -3.729 0.980 -1.103 1.00 0.00 O ATOM 286 CB VAL A 21 -2.080 -0.662 -3.592 1.00 0.00 C ATOM 287 CG1 VAL A 21 -3.032 -1.711 -3.038 1.00 0.00 C ATOM 288 CG2 VAL A 21 -1.994 -0.757 -5.108 1.00 0.00 C ATOM 0 H VAL A 21 -0.866 1.411 -4.270 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.492 0.970 -3.610 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.089 -0.853 -3.181 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.703 -2.702 -3.351 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.039 -1.658 -1.949 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.037 -1.526 -3.416 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.681 -1.762 -5.392 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.971 -0.545 -5.542 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.268 -0.033 -5.477 1.00 0.00 H new ATOM 298 N MET A 22 -1.512 0.625 -0.964 1.00 0.00 N ATOM 299 CA MET A 22 -1.489 0.648 0.494 1.00 0.00 C ATOM 300 C MET A 22 -2.171 1.903 1.028 1.00 0.00 C ATOM 301 O MET A 22 -3.043 1.826 1.894 1.00 0.00 O ATOM 302 CB MET A 22 -0.048 0.580 1.004 1.00 0.00 C ATOM 303 CG MET A 22 0.648 -0.733 0.685 1.00 0.00 C ATOM 304 SD MET A 22 2.080 -1.034 1.738 1.00 0.00 S ATOM 305 CE MET A 22 3.417 -0.639 0.614 1.00 0.00 C ATOM 0 H MET A 22 -0.602 0.470 -1.398 1.00 0.00 H new ATOM 0 HA MET A 22 -2.036 -0.223 0.855 1.00 0.00 H new ATOM 0 HB2 MET A 22 0.522 1.400 0.567 1.00 0.00 H new ATOM 0 HB3 MET A 22 -0.046 0.730 2.084 1.00 0.00 H new ATOM 0 HG2 MET A 22 -0.061 -1.553 0.800 1.00 0.00 H new ATOM 0 HG3 MET A 22 0.964 -0.728 -0.358 1.00 0.00 H new ATOM 0 HE1 MET A 22 4.323 -1.156 0.930 1.00 0.00 H new ATOM 0 HE2 MET A 22 3.151 -0.957 -0.394 1.00 0.00 H new ATOM 0 HE3 MET A 22 3.592 0.437 0.621 1.00 0.00 H new ATOM 315 N ARG A 23 -1.768 3.057 0.507 1.00 0.00 N ATOM 316 CA ARG A 23 -2.340 4.329 0.934 1.00 0.00 C ATOM 317 C ARG A 23 -3.860 4.313 0.801 1.00 0.00 C ATOM 318 O ARG A 23 -4.581 4.432 1.792 1.00 0.00 O ATOM 319 CB ARG A 23 -1.757 5.477 0.108 1.00 0.00 C ATOM 320 CG ARG A 23 -0.492 6.073 0.702 1.00 0.00 C ATOM 321 CD ARG A 23 0.100 7.142 -0.204 1.00 0.00 C ATOM 322 NE ARG A 23 1.012 8.027 0.515 1.00 0.00 N ATOM 323 CZ ARG A 23 0.620 8.876 1.459 1.00 0.00 C ATOM 324 NH1 ARG A 23 -0.660 8.955 1.794 1.00 0.00 N ATOM 325 NH2 ARG A 23 1.510 9.649 2.069 1.00 0.00 N ATOM 0 H ARG A 23 -1.048 3.138 -0.211 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.086 4.480 1.983 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.541 5.117 -0.898 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.508 6.262 0.011 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.715 6.505 1.678 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.242 5.284 0.863 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.632 6.665 -1.027 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.705 7.731 -0.643 1.00 0.00 H new ATOM 0 HE ARG A 23 2.004 7.992 0.280 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.347 8.363 1.327 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.958 9.608 2.519 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.496 9.592 1.813 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.208 10.300 2.794 1.00 0.00 H new ATOM 339 N SER A 24 -4.340 4.166 -0.430 1.00 0.00 N ATOM 340 CA SER A 24 -5.774 4.140 -0.693 1.00 0.00 C ATOM 341 C SER A 24 -6.488 3.210 0.283 1.00 0.00 C ATOM 342 O SER A 24 -7.442 3.608 0.952 1.00 0.00 O ATOM 343 CB SER A 24 -6.042 3.691 -2.131 1.00 0.00 C ATOM 344 OG SER A 24 -7.403 3.875 -2.477 1.00 0.00 O ATOM 0 H SER A 24 -3.757 4.063 -1.261 1.00 0.00 H new ATOM 0 HA SER A 24 -6.162 5.149 -0.557 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.410 4.256 -2.816 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.774 2.641 -2.243 1.00 0.00 H new ATOM 0 HG SER A 24 -7.548 3.582 -3.401 1.00 0.00 H new ATOM 350 N TRP A 25 -6.020 1.970 0.359 1.00 0.00 N ATOM 351 CA TRP A 25 -6.613 0.982 1.253 1.00 0.00 C ATOM 352 C TRP A 25 -6.714 1.525 2.674 1.00 0.00 C ATOM 353 O TRP A 25 -7.795 1.551 3.265 1.00 0.00 O ATOM 354 CB TRP A 25 -5.788 -0.306 1.244 1.00 0.00 C ATOM 355 CG TRP A 25 -6.296 -1.344 2.198 1.00 0.00 C ATOM 356 CD1 TRP A 25 -7.251 -2.288 1.950 1.00 0.00 C ATOM 357 CD2 TRP A 25 -5.876 -1.541 3.553 1.00 0.00 C ATOM 358 NE1 TRP A 25 -7.451 -3.060 3.069 1.00 0.00 N ATOM 359 CE2 TRP A 25 -6.619 -2.623 4.066 1.00 0.00 C ATOM 360 CE3 TRP A 25 -4.944 -0.911 4.382 1.00 0.00 C ATOM 361 CZ2 TRP A 25 -6.458 -3.084 5.369 1.00 0.00 C ATOM 362 CZ3 TRP A 25 -4.786 -1.370 5.676 1.00 0.00 C ATOM 363 CH2 TRP A 25 -5.538 -2.448 6.159 1.00 0.00 C ATOM 0 H TRP A 25 -5.231 1.624 -0.188 1.00 0.00 H new ATOM 0 HA TRP A 25 -7.619 0.763 0.895 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -5.785 -0.720 0.236 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -4.754 -0.068 1.494 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -7.772 -2.410 1.012 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -8.112 -3.833 3.145 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -4.358 -0.080 4.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -7.038 -3.914 5.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -4.070 -0.889 6.326 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -5.389 -2.784 7.174 1.00 0.00 H new ATOM 374 N LEU A 26 -5.583 1.959 3.219 1.00 0.00 N ATOM 375 CA LEU A 26 -5.544 2.503 4.572 1.00 0.00 C ATOM 376 C LEU A 26 -6.645 3.539 4.774 1.00 0.00 C ATOM 377 O LEU A 26 -7.421 3.458 5.727 1.00 0.00 O ATOM 378 CB LEU A 26 -4.178 3.133 4.851 1.00 0.00 C ATOM 379 CG LEU A 26 -3.859 3.423 6.318 1.00 0.00 C ATOM 380 CD1 LEU A 26 -3.385 2.160 7.020 1.00 0.00 C ATOM 381 CD2 LEU A 26 -2.814 4.522 6.430 1.00 0.00 C ATOM 0 H LEU A 26 -4.680 1.945 2.744 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.709 1.683 5.271 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.407 2.471 4.457 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.111 4.067 4.294 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.771 3.766 6.807 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.163 2.385 8.063 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.166 1.402 6.971 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.486 1.787 6.530 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.600 4.715 7.481 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.900 4.208 5.925 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.192 5.432 5.964 1.00 0.00 H new ATOM 393 N PHE A 27 -6.710 4.511 3.870 1.00 0.00 N ATOM 394 CA PHE A 27 -7.717 5.562 3.948 1.00 0.00 C ATOM 395 C PHE A 27 -9.122 4.968 3.990 1.00 0.00 C ATOM 396 O PHE A 27 -9.966 5.400 4.774 1.00 0.00 O ATOM 397 CB PHE A 27 -7.588 6.511 2.755 1.00 0.00 C ATOM 398 CG PHE A 27 -6.286 7.259 2.722 1.00 0.00 C ATOM 399 CD1 PHE A 27 -5.892 8.039 3.797 1.00 0.00 C ATOM 400 CD2 PHE A 27 -5.456 7.182 1.615 1.00 0.00 C ATOM 401 CE1 PHE A 27 -4.694 8.728 3.770 1.00 0.00 C ATOM 402 CE2 PHE A 27 -4.257 7.869 1.582 1.00 0.00 C ATOM 403 CZ PHE A 27 -3.876 8.643 2.660 1.00 0.00 C ATOM 0 H PHE A 27 -6.077 4.592 3.075 1.00 0.00 H new ATOM 0 HA PHE A 27 -7.551 6.122 4.868 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.693 5.939 1.833 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -8.409 7.228 2.781 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -6.529 8.110 4.667 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.749 6.579 0.769 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.398 9.332 4.615 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.619 7.800 0.714 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.940 9.181 2.635 1.00 0.00 H new ATOM 413 N GLN A 28 -9.363 3.975 3.140 1.00 0.00 N ATOM 414 CA GLN A 28 -10.665 3.321 3.079 1.00 0.00 C ATOM 415 C GLN A 28 -11.008 2.665 4.412 1.00 0.00 C ATOM 416 O GLN A 28 -12.179 2.549 4.776 1.00 0.00 O ATOM 417 CB GLN A 28 -10.683 2.276 1.963 1.00 0.00 C ATOM 418 CG GLN A 28 -10.670 2.877 0.566 1.00 0.00 C ATOM 419 CD GLN A 28 -11.766 3.905 0.363 1.00 0.00 C ATOM 420 OE1 GLN A 28 -11.496 5.058 0.025 1.00 0.00 O ATOM 421 NE2 GLN A 28 -13.011 3.491 0.568 1.00 0.00 N ATOM 0 H GLN A 28 -8.674 3.606 2.484 1.00 0.00 H new ATOM 0 HA GLN A 28 -11.416 4.082 2.866 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.819 1.621 2.076 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -11.571 1.654 2.074 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -9.702 3.343 0.384 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -10.783 2.080 -0.169 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -13.188 2.526 0.847 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -13.790 4.138 0.446 1.00 0.00 H new ATOM 430 N HIS A 29 -9.979 2.236 5.137 1.00 0.00 N ATOM 431 CA HIS A 29 -10.172 1.591 6.431 1.00 0.00 C ATOM 432 C HIS A 29 -9.464 2.368 7.536 1.00 0.00 C ATOM 433 O HIS A 29 -8.985 1.785 8.509 1.00 0.00 O ATOM 434 CB HIS A 29 -9.653 0.153 6.390 1.00 0.00 C ATOM 435 CG HIS A 29 -9.898 -0.535 5.082 1.00 0.00 C ATOM 436 ND1 HIS A 29 -11.128 -1.039 4.716 1.00 0.00 N ATOM 437 CD2 HIS A 29 -9.063 -0.800 4.051 1.00 0.00 C ATOM 438 CE1 HIS A 29 -11.038 -1.586 3.517 1.00 0.00 C ATOM 439 NE2 HIS A 29 -9.795 -1.454 3.091 1.00 0.00 N ATOM 0 H HIS A 29 -9.004 2.323 4.850 1.00 0.00 H new ATOM 0 HA HIS A 29 -11.240 1.578 6.647 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.582 0.156 6.595 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -10.128 -0.419 7.187 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -8.015 -0.545 3.994 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -11.844 -2.061 2.977 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -9.437 -1.784 2.195 1.00 0.00 H new ATOM 448 N ILE A 30 -9.402 3.686 7.379 1.00 0.00 N ATOM 449 CA ILE A 30 -8.753 4.542 8.364 1.00 0.00 C ATOM 450 C ILE A 30 -9.190 4.181 9.780 1.00 0.00 C ATOM 451 O ILE A 30 -8.368 4.087 10.690 1.00 0.00 O ATOM 452 CB ILE A 30 -9.061 6.029 8.108 1.00 0.00 C ATOM 453 CG1 ILE A 30 -8.385 6.903 9.166 1.00 0.00 C ATOM 454 CG2 ILE A 30 -10.564 6.265 8.101 1.00 0.00 C ATOM 455 CD1 ILE A 30 -6.987 7.339 8.786 1.00 0.00 C ATOM 0 H ILE A 30 -9.793 4.184 6.579 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.680 4.379 8.265 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.665 6.303 7.130 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.998 7.787 9.341 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -8.343 6.354 10.106 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.766 7.321 7.919 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.023 5.667 7.314 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.982 5.977 9.066 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -6.569 7.955 9.582 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.359 6.460 8.640 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.024 7.916 7.862 1.00 0.00 H new ATOM 467 N GLY A 31 -10.492 3.978 9.958 1.00 0.00 N ATOM 468 CA GLY A 31 -11.017 3.627 11.265 1.00 0.00 C ATOM 469 C GLY A 31 -10.279 2.460 11.891 1.00 0.00 C ATOM 470 O GLY A 31 -9.847 2.536 13.042 1.00 0.00 O ATOM 0 H GLY A 31 -11.193 4.050 9.220 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.949 4.492 11.925 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -12.074 3.378 11.174 1.00 0.00 H new ATOM 474 N HIS A 32 -10.135 1.377 11.134 1.00 0.00 N ATOM 475 CA HIS A 32 -9.446 0.189 11.623 1.00 0.00 C ATOM 476 C HIS A 32 -8.455 -0.330 10.585 1.00 0.00 C ATOM 477 O HIS A 32 -8.757 -1.226 9.796 1.00 0.00 O ATOM 478 CB HIS A 32 -10.455 -0.905 11.973 1.00 0.00 C ATOM 479 CG HIS A 32 -9.820 -2.185 12.422 1.00 0.00 C ATOM 480 ND1 HIS A 32 -10.254 -3.426 12.008 1.00 0.00 N ATOM 481 CD2 HIS A 32 -8.776 -2.411 13.254 1.00 0.00 C ATOM 482 CE1 HIS A 32 -9.506 -4.361 12.567 1.00 0.00 C ATOM 483 NE2 HIS A 32 -8.601 -3.771 13.327 1.00 0.00 N ATOM 0 H HIS A 32 -10.486 1.298 10.180 1.00 0.00 H new ATOM 0 HA HIS A 32 -8.894 0.464 12.522 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -11.115 -0.541 12.760 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -11.079 -1.105 11.102 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -8.190 -1.661 13.765 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -9.616 -5.426 12.426 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -7.888 -4.248 13.879 1.00 0.00 H new ATOM 492 N PRO A 33 -7.244 0.246 10.582 1.00 0.00 N ATOM 493 CA PRO A 33 -6.184 -0.143 9.646 1.00 0.00 C ATOM 494 C PRO A 33 -5.631 -1.533 9.941 1.00 0.00 C ATOM 495 O PRO A 33 -4.561 -1.673 10.533 1.00 0.00 O ATOM 496 CB PRO A 33 -5.106 0.920 9.870 1.00 0.00 C ATOM 497 CG PRO A 33 -5.331 1.401 11.262 1.00 0.00 C ATOM 498 CD PRO A 33 -6.814 1.319 11.494 1.00 0.00 C ATOM 0 HA PRO A 33 -6.546 -0.194 8.619 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -4.107 0.501 9.753 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.197 1.734 9.150 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.789 0.785 11.980 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.973 2.423 11.384 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -7.046 1.081 12.532 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -7.309 2.263 11.266 1.00 0.00 H new ATOM 506 N TYR A 34 -6.367 -2.557 9.523 1.00 0.00 N ATOM 507 CA TYR A 34 -5.950 -3.937 9.744 1.00 0.00 C ATOM 508 C TYR A 34 -6.199 -4.787 8.502 1.00 0.00 C ATOM 509 O TYR A 34 -7.335 -5.123 8.165 1.00 0.00 O ATOM 510 CB TYR A 34 -6.696 -4.532 10.940 1.00 0.00 C ATOM 511 CG TYR A 34 -6.134 -4.105 12.277 1.00 0.00 C ATOM 512 CD1 TYR A 34 -6.171 -2.775 12.676 1.00 0.00 C ATOM 513 CD2 TYR A 34 -5.567 -5.033 13.142 1.00 0.00 C ATOM 514 CE1 TYR A 34 -5.658 -2.381 13.897 1.00 0.00 C ATOM 515 CE2 TYR A 34 -5.053 -4.648 14.366 1.00 0.00 C ATOM 516 CZ TYR A 34 -5.100 -3.321 14.738 1.00 0.00 C ATOM 517 OH TYR A 34 -4.589 -2.932 15.955 1.00 0.00 O ATOM 0 H TYR A 34 -7.254 -2.458 9.030 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.880 -3.937 9.954 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.745 -4.239 10.886 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.665 -5.619 10.873 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -6.608 -2.036 12.021 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.527 -6.073 12.853 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.694 -1.342 14.191 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -4.617 -5.382 15.027 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.234 -3.715 16.426 1.00 0.00 H new ATOM 527 N PRO A 35 -5.111 -5.144 7.803 1.00 0.00 N ATOM 528 CA PRO A 35 -5.184 -5.960 6.588 1.00 0.00 C ATOM 529 C PRO A 35 -5.590 -7.401 6.880 1.00 0.00 C ATOM 530 O PRO A 35 -5.271 -7.945 7.938 1.00 0.00 O ATOM 531 CB PRO A 35 -3.756 -5.908 6.039 1.00 0.00 C ATOM 532 CG PRO A 35 -2.902 -5.641 7.231 1.00 0.00 C ATOM 533 CD PRO A 35 -3.727 -4.780 8.147 1.00 0.00 C ATOM 0 HA PRO A 35 -5.937 -5.588 5.893 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -3.482 -6.847 5.558 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.648 -5.123 5.290 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -2.616 -6.571 7.722 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -1.980 -5.135 6.945 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -3.507 -4.983 9.195 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -3.537 -3.720 7.981 1.00 0.00 H new ATOM 541 N THR A 36 -6.294 -8.016 5.935 1.00 0.00 N ATOM 542 CA THR A 36 -6.744 -9.393 6.092 1.00 0.00 C ATOM 543 C THR A 36 -5.828 -10.359 5.349 1.00 0.00 C ATOM 544 O THR A 36 -5.310 -10.038 4.280 1.00 0.00 O ATOM 545 CB THR A 36 -8.186 -9.575 5.579 1.00 0.00 C ATOM 546 OG1 THR A 36 -8.234 -9.356 4.165 1.00 0.00 O ATOM 547 CG2 THR A 36 -9.134 -8.613 6.280 1.00 0.00 C ATOM 0 H THR A 36 -6.565 -7.582 5.053 1.00 0.00 H new ATOM 0 HA THR A 36 -6.714 -9.615 7.159 1.00 0.00 H new ATOM 0 HB THR A 36 -8.501 -10.595 5.798 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.063 -8.887 3.935 1.00 0.00 H new ATOM 0 HG21 THR A 36 -10.146 -8.759 5.902 1.00 0.00 H new ATOM 0 HG22 THR A 36 -9.117 -8.802 7.353 1.00 0.00 H new ATOM 0 HG23 THR A 36 -8.820 -7.587 6.087 1.00 0.00 H new ATOM 555 N GLU A 37 -5.632 -11.542 5.923 1.00 0.00 N ATOM 556 CA GLU A 37 -4.777 -12.554 5.314 1.00 0.00 C ATOM 557 C GLU A 37 -4.865 -12.495 3.792 1.00 0.00 C ATOM 558 O GLU A 37 -3.883 -12.748 3.093 1.00 0.00 O ATOM 559 CB GLU A 37 -5.170 -13.948 5.806 1.00 0.00 C ATOM 560 CG GLU A 37 -4.933 -14.159 7.292 1.00 0.00 C ATOM 561 CD GLU A 37 -5.384 -15.527 7.766 1.00 0.00 C ATOM 562 OE1 GLU A 37 -6.607 -15.778 7.773 1.00 0.00 O ATOM 563 OE2 GLU A 37 -4.514 -16.346 8.130 1.00 0.00 O ATOM 0 H GLU A 37 -6.053 -11.823 6.808 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.748 -12.350 5.609 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.224 -14.117 5.587 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.605 -14.694 5.247 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.872 -14.035 7.508 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.464 -13.391 7.854 1.00 0.00 H new ATOM 570 N ASP A 38 -6.047 -12.161 3.286 1.00 0.00 N ATOM 571 CA ASP A 38 -6.264 -12.069 1.847 1.00 0.00 C ATOM 572 C ASP A 38 -5.654 -10.788 1.286 1.00 0.00 C ATOM 573 O ASP A 38 -4.885 -10.824 0.327 1.00 0.00 O ATOM 574 CB ASP A 38 -7.760 -12.118 1.531 1.00 0.00 C ATOM 575 CG ASP A 38 -8.411 -13.401 2.009 1.00 0.00 C ATOM 576 OD1 ASP A 38 -8.258 -14.434 1.324 1.00 0.00 O ATOM 577 OD2 ASP A 38 -9.074 -13.371 3.067 1.00 0.00 O ATOM 0 H ASP A 38 -6.870 -11.949 3.851 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.773 -12.920 1.375 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -8.255 -11.267 1.998 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.905 -12.020 0.455 1.00 0.00 H new ATOM 582 N GLU A 39 -6.005 -9.658 1.891 1.00 0.00 N ATOM 583 CA GLU A 39 -5.494 -8.365 1.450 1.00 0.00 C ATOM 584 C GLU A 39 -3.974 -8.398 1.320 1.00 0.00 C ATOM 585 O GLU A 39 -3.413 -7.920 0.333 1.00 0.00 O ATOM 586 CB GLU A 39 -5.909 -7.266 2.430 1.00 0.00 C ATOM 587 CG GLU A 39 -7.401 -6.978 2.425 1.00 0.00 C ATOM 588 CD GLU A 39 -7.833 -6.118 3.597 1.00 0.00 C ATOM 589 OE1 GLU A 39 -7.034 -5.264 4.033 1.00 0.00 O ATOM 590 OE2 GLU A 39 -8.972 -6.299 4.077 1.00 0.00 O ATOM 0 H GLU A 39 -6.641 -9.611 2.687 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.921 -8.148 0.471 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.607 -7.555 3.437 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.370 -6.351 2.186 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.668 -6.477 1.494 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.949 -7.920 2.449 1.00 0.00 H new ATOM 597 N LYS A 40 -3.312 -8.964 2.323 1.00 0.00 N ATOM 598 CA LYS A 40 -1.857 -9.061 2.322 1.00 0.00 C ATOM 599 C LYS A 40 -1.364 -9.849 1.113 1.00 0.00 C ATOM 600 O LYS A 40 -0.306 -9.557 0.557 1.00 0.00 O ATOM 601 CB LYS A 40 -1.369 -9.726 3.611 1.00 0.00 C ATOM 602 CG LYS A 40 -2.043 -9.192 4.864 1.00 0.00 C ATOM 603 CD LYS A 40 -1.120 -9.268 6.069 1.00 0.00 C ATOM 604 CE LYS A 40 -1.907 -9.348 7.368 1.00 0.00 C ATOM 605 NZ LYS A 40 -1.129 -8.814 8.521 1.00 0.00 N ATOM 0 H LYS A 40 -3.760 -9.363 3.148 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.451 -8.051 2.265 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.543 -10.800 3.544 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.292 -9.583 3.699 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.347 -8.158 4.702 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.950 -9.764 5.062 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.474 -10.141 5.979 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.472 -8.392 6.088 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.836 -8.787 7.265 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.181 -10.385 7.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.717 -9.604 9.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.367 -8.199 8.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.759 -8.265 9.141 1.00 0.00 H new ATOM 619 N LYS A 41 -2.140 -10.850 0.709 1.00 0.00 N ATOM 620 CA LYS A 41 -1.785 -11.679 -0.436 1.00 0.00 C ATOM 621 C LYS A 41 -2.044 -10.940 -1.745 1.00 0.00 C ATOM 622 O LYS A 41 -1.147 -10.801 -2.577 1.00 0.00 O ATOM 623 CB LYS A 41 -2.580 -12.987 -0.411 1.00 0.00 C ATOM 624 CG LYS A 41 -2.062 -13.994 0.602 1.00 0.00 C ATOM 625 CD LYS A 41 -3.054 -15.124 0.822 1.00 0.00 C ATOM 626 CE LYS A 41 -2.647 -16.002 1.995 1.00 0.00 C ATOM 627 NZ LYS A 41 -3.103 -15.437 3.295 1.00 0.00 N ATOM 0 H LYS A 41 -3.019 -11.106 1.158 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.721 -11.906 -0.372 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.623 -12.764 -0.188 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.555 -13.437 -1.404 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.113 -14.404 0.256 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.866 -13.491 1.549 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.045 -14.709 1.004 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.123 -15.730 -0.081 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.067 -16.999 1.865 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.563 -16.112 2.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.373 -15.598 4.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.268 -14.415 3.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.987 -15.903 3.585 1.00 0.00 H new ATOM 641 N GLN A 42 -3.274 -10.467 -1.919 1.00 0.00 N ATOM 642 CA GLN A 42 -3.649 -9.741 -3.126 1.00 0.00 C ATOM 643 C GLN A 42 -2.790 -8.493 -3.300 1.00 0.00 C ATOM 644 O GLN A 42 -2.175 -8.292 -4.348 1.00 0.00 O ATOM 645 CB GLN A 42 -5.128 -9.354 -3.075 1.00 0.00 C ATOM 646 CG GLN A 42 -6.062 -10.542 -2.912 1.00 0.00 C ATOM 647 CD GLN A 42 -6.249 -11.319 -4.201 1.00 0.00 C ATOM 648 OE1 GLN A 42 -6.755 -10.789 -5.191 1.00 0.00 O ATOM 649 NE2 GLN A 42 -5.839 -12.582 -4.195 1.00 0.00 N ATOM 0 H GLN A 42 -4.027 -10.574 -1.240 1.00 0.00 H new ATOM 0 HA GLN A 42 -3.482 -10.397 -3.981 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.286 -8.662 -2.248 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.387 -8.821 -3.990 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -5.666 -11.208 -2.145 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.032 -10.191 -2.560 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.425 -12.980 -3.352 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -5.938 -13.154 -5.034 1.00 0.00 H new ATOM 658 N ILE A 43 -2.752 -7.658 -2.267 1.00 0.00 N ATOM 659 CA ILE A 43 -1.968 -6.430 -2.306 1.00 0.00 C ATOM 660 C ILE A 43 -0.536 -6.706 -2.752 1.00 0.00 C ATOM 661 O ILE A 43 -0.020 -6.051 -3.656 1.00 0.00 O ATOM 662 CB ILE A 43 -1.941 -5.736 -0.931 1.00 0.00 C ATOM 663 CG1 ILE A 43 -3.342 -5.255 -0.551 1.00 0.00 C ATOM 664 CG2 ILE A 43 -0.961 -4.572 -0.945 1.00 0.00 C ATOM 665 CD1 ILE A 43 -3.452 -4.788 0.884 1.00 0.00 C ATOM 0 H ILE A 43 -3.255 -7.810 -1.393 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.450 -5.770 -3.028 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.609 -6.456 -0.183 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.629 -4.438 -1.213 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.053 -6.065 -0.717 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.953 -4.091 0.033 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.038 -4.941 -1.177 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.266 -3.849 -1.702 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.473 -4.461 1.083 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.196 -5.609 1.554 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.766 -3.957 1.050 1.00 0.00 H new ATOM 677 N ALA A 44 0.099 -7.683 -2.113 1.00 0.00 N ATOM 678 CA ALA A 44 1.470 -8.049 -2.446 1.00 0.00 C ATOM 679 C ALA A 44 1.674 -8.096 -3.957 1.00 0.00 C ATOM 680 O ALA A 44 2.732 -7.721 -4.462 1.00 0.00 O ATOM 681 CB ALA A 44 1.825 -9.390 -1.822 1.00 0.00 C ATOM 0 H ALA A 44 -0.314 -8.235 -1.362 1.00 0.00 H new ATOM 0 HA ALA A 44 2.133 -7.285 -2.039 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.852 -9.651 -2.079 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.728 -9.324 -0.738 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.150 -10.158 -2.201 1.00 0.00 H new ATOM 687 N ALA A 45 0.654 -8.559 -4.672 1.00 0.00 N ATOM 688 CA ALA A 45 0.722 -8.653 -6.126 1.00 0.00 C ATOM 689 C ALA A 45 0.621 -7.275 -6.770 1.00 0.00 C ATOM 690 O ALA A 45 1.555 -6.819 -7.430 1.00 0.00 O ATOM 691 CB ALA A 45 -0.380 -9.564 -6.647 1.00 0.00 C ATOM 0 H ALA A 45 -0.228 -8.875 -4.269 1.00 0.00 H new ATOM 0 HA ALA A 45 1.688 -9.080 -6.394 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.318 -9.625 -7.733 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.261 -10.560 -6.220 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.351 -9.160 -6.361 1.00 0.00 H new ATOM 697 N GLN A 46 -0.517 -6.617 -6.576 1.00 0.00 N ATOM 698 CA GLN A 46 -0.739 -5.291 -7.141 1.00 0.00 C ATOM 699 C GLN A 46 0.459 -4.383 -6.884 1.00 0.00 C ATOM 700 O GLN A 46 0.863 -3.609 -7.752 1.00 0.00 O ATOM 701 CB GLN A 46 -2.004 -4.667 -6.549 1.00 0.00 C ATOM 702 CG GLN A 46 -3.246 -5.525 -6.727 1.00 0.00 C ATOM 703 CD GLN A 46 -4.519 -4.704 -6.785 1.00 0.00 C ATOM 704 OE1 GLN A 46 -5.382 -4.812 -5.914 1.00 0.00 O ATOM 705 NE2 GLN A 46 -4.643 -3.877 -7.817 1.00 0.00 N ATOM 0 H GLN A 46 -1.300 -6.980 -6.032 1.00 0.00 H new ATOM 0 HA GLN A 46 -0.866 -5.398 -8.218 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.847 -4.486 -5.486 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -2.173 -3.697 -7.016 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -3.152 -6.108 -7.643 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -3.313 -6.235 -5.903 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -3.903 -3.819 -8.516 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -5.479 -3.300 -7.910 1.00 0.00 H new ATOM 714 N THR A 47 1.024 -4.482 -5.685 1.00 0.00 N ATOM 715 CA THR A 47 2.174 -3.669 -5.312 1.00 0.00 C ATOM 716 C THR A 47 3.480 -4.408 -5.579 1.00 0.00 C ATOM 717 O THR A 47 4.552 -3.805 -5.603 1.00 0.00 O ATOM 718 CB THR A 47 2.120 -3.266 -3.827 1.00 0.00 C ATOM 719 OG1 THR A 47 2.287 -4.422 -2.999 1.00 0.00 O ATOM 720 CG2 THR A 47 0.800 -2.586 -3.498 1.00 0.00 C ATOM 0 H THR A 47 0.703 -5.118 -4.955 1.00 0.00 H new ATOM 0 HA THR A 47 2.137 -2.769 -5.926 1.00 0.00 H new ATOM 0 HB THR A 47 2.930 -2.562 -3.635 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.544 -5.043 -3.150 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.785 -2.311 -2.443 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.690 -1.690 -4.109 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.023 -3.270 -3.706 1.00 0.00 H new ATOM 728 N ASN A 48 3.382 -5.718 -5.781 1.00 0.00 N ATOM 729 CA ASN A 48 4.557 -6.541 -6.047 1.00 0.00 C ATOM 730 C ASN A 48 5.462 -6.610 -4.820 1.00 0.00 C ATOM 731 O ASN A 48 6.687 -6.644 -4.940 1.00 0.00 O ATOM 732 CB ASN A 48 5.337 -5.983 -7.239 1.00 0.00 C ATOM 733 CG ASN A 48 6.083 -7.062 -7.999 1.00 0.00 C ATOM 734 OD1 ASN A 48 7.298 -7.204 -7.866 1.00 0.00 O ATOM 735 ND2 ASN A 48 5.355 -7.831 -8.801 1.00 0.00 N ATOM 0 H ASN A 48 2.501 -6.233 -5.766 1.00 0.00 H new ATOM 0 HA ASN A 48 4.218 -7.549 -6.283 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.648 -5.477 -7.915 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.046 -5.234 -6.887 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.801 -8.575 -9.337 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.350 -7.677 -8.880 1.00 0.00 H new ATOM 742 N LEU A 49 4.850 -6.630 -3.641 1.00 0.00 N ATOM 743 CA LEU A 49 5.599 -6.696 -2.391 1.00 0.00 C ATOM 744 C LEU A 49 5.352 -8.021 -1.677 1.00 0.00 C ATOM 745 O LEU A 49 4.357 -8.700 -1.932 1.00 0.00 O ATOM 746 CB LEU A 49 5.211 -5.531 -1.479 1.00 0.00 C ATOM 747 CG LEU A 49 5.231 -4.142 -2.118 1.00 0.00 C ATOM 748 CD1 LEU A 49 4.721 -3.096 -1.139 1.00 0.00 C ATOM 749 CD2 LEU A 49 6.636 -3.793 -2.589 1.00 0.00 C ATOM 0 H LEU A 49 3.837 -6.601 -3.524 1.00 0.00 H new ATOM 0 HA LEU A 49 6.661 -6.625 -2.628 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.209 -5.717 -1.093 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.886 -5.525 -0.624 1.00 0.00 H new ATOM 0 HG LEU A 49 4.570 -4.152 -2.984 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.743 -2.114 -1.612 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.698 -3.337 -0.849 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.356 -3.086 -0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.632 -2.801 -3.041 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.317 -3.801 -1.738 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.966 -4.526 -3.325 1.00 0.00 H new ATOM 761 N THR A 50 6.263 -8.382 -0.778 1.00 0.00 N ATOM 762 CA THR A 50 6.143 -9.624 -0.026 1.00 0.00 C ATOM 763 C THR A 50 5.309 -9.426 1.234 1.00 0.00 C ATOM 764 O THR A 50 5.338 -8.359 1.848 1.00 0.00 O ATOM 765 CB THR A 50 7.526 -10.177 0.369 1.00 0.00 C ATOM 766 OG1 THR A 50 8.364 -9.114 0.835 1.00 0.00 O ATOM 767 CG2 THR A 50 8.189 -10.871 -0.812 1.00 0.00 C ATOM 0 H THR A 50 7.092 -7.831 -0.554 1.00 0.00 H new ATOM 0 HA THR A 50 5.645 -10.341 -0.678 1.00 0.00 H new ATOM 0 HB THR A 50 7.386 -10.906 1.167 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.495 -8.461 0.116 1.00 0.00 H new ATOM 0 HG21 THR A 50 9.164 -11.253 -0.509 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.563 -11.698 -1.146 1.00 0.00 H new ATOM 0 HG23 THR A 50 8.316 -10.159 -1.628 1.00 0.00 H new ATOM 775 N LEU A 51 4.567 -10.460 1.616 1.00 0.00 N ATOM 776 CA LEU A 51 3.725 -10.399 2.805 1.00 0.00 C ATOM 777 C LEU A 51 4.409 -9.613 3.918 1.00 0.00 C ATOM 778 O LEU A 51 3.758 -8.890 4.674 1.00 0.00 O ATOM 779 CB LEU A 51 3.393 -11.811 3.292 1.00 0.00 C ATOM 780 CG LEU A 51 2.125 -12.440 2.713 1.00 0.00 C ATOM 781 CD1 LEU A 51 0.896 -11.653 3.141 1.00 0.00 C ATOM 782 CD2 LEU A 51 2.212 -12.516 1.196 1.00 0.00 C ATOM 0 H LEU A 51 4.532 -11.350 1.119 1.00 0.00 H new ATOM 0 HA LEU A 51 2.801 -9.886 2.539 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.236 -12.462 3.059 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.299 -11.787 4.378 1.00 0.00 H new ATOM 0 HG LEU A 51 2.035 -13.454 3.102 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.003 -12.115 2.720 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.825 -11.652 4.229 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.978 -10.627 2.782 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.301 -12.966 0.801 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.327 -11.512 0.787 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.070 -13.124 0.911 1.00 0.00 H new ATOM 794 N LEU A 52 5.727 -9.756 4.013 1.00 0.00 N ATOM 795 CA LEU A 52 6.501 -9.057 5.032 1.00 0.00 C ATOM 796 C LEU A 52 6.530 -7.557 4.761 1.00 0.00 C ATOM 797 O LEU A 52 6.280 -6.750 5.656 1.00 0.00 O ATOM 798 CB LEU A 52 7.928 -9.606 5.082 1.00 0.00 C ATOM 799 CG LEU A 52 8.787 -9.137 6.257 1.00 0.00 C ATOM 800 CD1 LEU A 52 8.613 -10.066 7.449 1.00 0.00 C ATOM 801 CD2 LEU A 52 10.251 -9.058 5.850 1.00 0.00 C ATOM 0 H LEU A 52 6.281 -10.350 3.396 1.00 0.00 H new ATOM 0 HA LEU A 52 6.020 -9.223 5.996 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.876 -10.694 5.107 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.434 -9.332 4.156 1.00 0.00 H new ATOM 0 HG LEU A 52 8.457 -8.140 6.548 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.232 -9.717 8.276 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.567 -10.072 7.756 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.915 -11.076 7.171 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.847 -8.723 6.699 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.594 -10.043 5.532 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.362 -8.352 5.027 1.00 0.00 H new ATOM 813 N GLN A 53 6.834 -7.191 3.520 1.00 0.00 N ATOM 814 CA GLN A 53 6.894 -5.787 3.131 1.00 0.00 C ATOM 815 C GLN A 53 5.550 -5.102 3.358 1.00 0.00 C ATOM 816 O GLN A 53 5.459 -4.121 4.096 1.00 0.00 O ATOM 817 CB GLN A 53 7.303 -5.659 1.663 1.00 0.00 C ATOM 818 CG GLN A 53 8.772 -5.962 1.412 1.00 0.00 C ATOM 819 CD GLN A 53 9.121 -5.978 -0.063 1.00 0.00 C ATOM 820 OE1 GLN A 53 8.659 -6.839 -0.813 1.00 0.00 O ATOM 821 NE2 GLN A 53 9.940 -5.023 -0.488 1.00 0.00 N ATOM 0 H GLN A 53 7.042 -7.847 2.767 1.00 0.00 H new ATOM 0 HA GLN A 53 7.642 -5.296 3.753 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.694 -6.336 1.064 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.086 -4.647 1.321 1.00 0.00 H new ATOM 0 HG2 GLN A 53 9.385 -5.216 1.918 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.020 -6.929 1.851 1.00 0.00 H new ATOM 0 HE21 GLN A 53 10.299 -4.330 0.168 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.210 -4.983 -1.471 1.00 0.00 H new ATOM 830 N VAL A 54 4.509 -5.625 2.718 1.00 0.00 N ATOM 831 CA VAL A 54 3.170 -5.064 2.850 1.00 0.00 C ATOM 832 C VAL A 54 2.820 -4.815 4.313 1.00 0.00 C ATOM 833 O VAL A 54 2.181 -3.819 4.648 1.00 0.00 O ATOM 834 CB VAL A 54 2.109 -5.993 2.231 1.00 0.00 C ATOM 835 CG1 VAL A 54 0.715 -5.415 2.423 1.00 0.00 C ATOM 836 CG2 VAL A 54 2.400 -6.225 0.756 1.00 0.00 C ATOM 0 H VAL A 54 4.567 -6.437 2.103 1.00 0.00 H new ATOM 0 HA VAL A 54 3.170 -4.116 2.313 1.00 0.00 H new ATOM 0 HB VAL A 54 2.151 -6.955 2.742 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.021 -6.085 1.979 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.510 -5.305 3.488 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.656 -4.440 1.940 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.641 -6.884 0.335 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.387 -5.271 0.228 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.381 -6.686 0.647 1.00 0.00 H new ATOM 846 N ASN A 55 3.245 -5.728 5.181 1.00 0.00 N ATOM 847 CA ASN A 55 2.977 -5.608 6.609 1.00 0.00 C ATOM 848 C ASN A 55 3.797 -4.477 7.223 1.00 0.00 C ATOM 849 O ASN A 55 3.250 -3.567 7.844 1.00 0.00 O ATOM 850 CB ASN A 55 3.291 -6.926 7.321 1.00 0.00 C ATOM 851 CG ASN A 55 2.091 -7.851 7.379 1.00 0.00 C ATOM 852 OD1 ASN A 55 0.947 -7.400 7.429 1.00 0.00 O ATOM 853 ND2 ASN A 55 2.348 -9.154 7.372 1.00 0.00 N ATOM 0 H ASN A 55 3.776 -6.559 4.920 1.00 0.00 H new ATOM 0 HA ASN A 55 1.919 -5.377 6.737 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.109 -7.429 6.805 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.634 -6.716 8.334 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.581 -9.825 7.409 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.312 -9.483 7.330 1.00 0.00 H new ATOM 860 N ASN A 56 5.112 -4.543 7.045 1.00 0.00 N ATOM 861 CA ASN A 56 6.008 -3.525 7.581 1.00 0.00 C ATOM 862 C ASN A 56 5.492 -2.125 7.266 1.00 0.00 C ATOM 863 O ASN A 56 5.303 -1.305 8.164 1.00 0.00 O ATOM 864 CB ASN A 56 7.416 -3.703 7.009 1.00 0.00 C ATOM 865 CG ASN A 56 8.265 -4.643 7.843 1.00 0.00 C ATOM 866 OD1 ASN A 56 8.967 -4.216 8.759 1.00 0.00 O ATOM 867 ND2 ASN A 56 8.203 -5.932 7.528 1.00 0.00 N ATOM 0 H ASN A 56 5.581 -5.291 6.534 1.00 0.00 H new ATOM 0 HA ASN A 56 6.045 -3.643 8.664 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.346 -4.088 5.992 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.906 -2.731 6.949 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.751 -6.612 8.054 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.607 -6.241 6.760 1.00 0.00 H new ATOM 874 N TRP A 57 5.265 -1.859 5.984 1.00 0.00 N ATOM 875 CA TRP A 57 4.769 -0.558 5.550 1.00 0.00 C ATOM 876 C TRP A 57 3.548 -0.142 6.363 1.00 0.00 C ATOM 877 O TRP A 57 3.517 0.944 6.943 1.00 0.00 O ATOM 878 CB TRP A 57 4.419 -0.594 4.061 1.00 0.00 C ATOM 879 CG TRP A 57 4.091 0.755 3.496 1.00 0.00 C ATOM 880 CD1 TRP A 57 4.939 1.592 2.829 1.00 0.00 C ATOM 881 CD2 TRP A 57 2.825 1.422 3.549 1.00 0.00 C ATOM 882 NE1 TRP A 57 4.277 2.740 2.465 1.00 0.00 N ATOM 883 CE2 TRP A 57 2.979 2.660 2.894 1.00 0.00 C ATOM 884 CE3 TRP A 57 1.577 1.094 4.084 1.00 0.00 C ATOM 885 CZ2 TRP A 57 1.931 3.567 2.763 1.00 0.00 C ATOM 886 CZ3 TRP A 57 0.538 1.995 3.953 1.00 0.00 C ATOM 887 CH2 TRP A 57 0.720 3.220 3.296 1.00 0.00 C ATOM 0 H TRP A 57 5.416 -2.527 5.228 1.00 0.00 H new ATOM 0 HA TRP A 57 5.557 0.177 5.713 1.00 0.00 H new ATOM 0 HB2 TRP A 57 5.257 -1.018 3.508 1.00 0.00 H new ATOM 0 HB3 TRP A 57 3.569 -1.260 3.911 1.00 0.00 H new ATOM 0 HD1 TRP A 57 5.977 1.383 2.618 1.00 0.00 H new ATOM 0 HE1 TRP A 57 4.686 3.525 1.958 1.00 0.00 H new ATOM 0 HE3 TRP A 57 1.427 0.152 4.591 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 2.069 4.512 2.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -0.431 1.752 4.364 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -0.112 3.903 3.209 1.00 0.00 H new ATOM 898 N PHE A 58 2.543 -1.010 6.400 1.00 0.00 N ATOM 899 CA PHE A 58 1.319 -0.732 7.142 1.00 0.00 C ATOM 900 C PHE A 58 1.626 -0.437 8.607 1.00 0.00 C ATOM 901 O PHE A 58 1.253 0.612 9.132 1.00 0.00 O ATOM 902 CB PHE A 58 0.355 -1.915 7.039 1.00 0.00 C ATOM 903 CG PHE A 58 -0.477 -1.904 5.788 1.00 0.00 C ATOM 904 CD1 PHE A 58 -1.116 -0.745 5.375 1.00 0.00 C ATOM 905 CD2 PHE A 58 -0.618 -3.051 5.024 1.00 0.00 C ATOM 906 CE1 PHE A 58 -1.882 -0.732 4.225 1.00 0.00 C ATOM 907 CE2 PHE A 58 -1.383 -3.044 3.872 1.00 0.00 C ATOM 908 CZ PHE A 58 -2.014 -1.883 3.472 1.00 0.00 C ATOM 0 H PHE A 58 2.552 -1.912 5.925 1.00 0.00 H new ATOM 0 HA PHE A 58 0.850 0.149 6.703 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.926 -2.843 7.078 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.306 -1.911 7.906 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.014 0.158 5.959 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.125 -3.961 5.332 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.377 0.177 3.915 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.487 -3.945 3.286 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.610 -1.874 2.571 1.00 0.00 H new ATOM 918 N ILE A 59 2.307 -1.372 9.262 1.00 0.00 N ATOM 919 CA ILE A 59 2.665 -1.213 10.666 1.00 0.00 C ATOM 920 C ILE A 59 3.266 0.164 10.928 1.00 0.00 C ATOM 921 O ILE A 59 2.954 0.809 11.928 1.00 0.00 O ATOM 922 CB ILE A 59 3.666 -2.292 11.118 1.00 0.00 C ATOM 923 CG1 ILE A 59 3.057 -3.686 10.951 1.00 0.00 C ATOM 924 CG2 ILE A 59 4.081 -2.059 12.563 1.00 0.00 C ATOM 925 CD1 ILE A 59 4.086 -4.772 10.729 1.00 0.00 C ATOM 0 H ILE A 59 2.622 -2.247 8.843 1.00 0.00 H new ATOM 0 HA ILE A 59 1.745 -1.320 11.240 1.00 0.00 H new ATOM 0 HB ILE A 59 4.555 -2.227 10.491 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.472 -3.927 11.839 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.366 -3.673 10.108 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.789 -2.830 12.867 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.551 -1.080 12.653 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.201 -2.100 13.205 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.583 -5.733 10.619 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.655 -4.555 9.825 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.762 -4.812 11.583 1.00 0.00 H new ATOM 937 N ASN A 60 4.129 0.609 10.020 1.00 0.00 N ATOM 938 CA ASN A 60 4.773 1.911 10.152 1.00 0.00 C ATOM 939 C ASN A 60 3.768 3.039 9.942 1.00 0.00 C ATOM 940 O ASN A 60 3.791 4.044 10.652 1.00 0.00 O ATOM 941 CB ASN A 60 5.919 2.040 9.147 1.00 0.00 C ATOM 942 CG ASN A 60 6.997 2.997 9.618 1.00 0.00 C ATOM 943 OD1 ASN A 60 7.682 2.739 10.608 1.00 0.00 O ATOM 944 ND2 ASN A 60 7.152 4.109 8.910 1.00 0.00 N ATOM 0 H ASN A 60 4.398 0.088 9.186 1.00 0.00 H new ATOM 0 HA ASN A 60 5.174 1.990 11.163 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.359 1.058 8.974 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.523 2.385 8.192 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.861 4.791 9.180 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.562 4.282 8.096 1.00 0.00 H new ATOM 951 N ALA A 61 2.888 2.865 8.962 1.00 0.00 N ATOM 952 CA ALA A 61 1.873 3.867 8.660 1.00 0.00 C ATOM 953 C ALA A 61 0.958 4.100 9.858 1.00 0.00 C ATOM 954 O ALA A 61 0.801 5.231 10.320 1.00 0.00 O ATOM 955 CB ALA A 61 1.058 3.444 7.447 1.00 0.00 C ATOM 0 H ALA A 61 2.857 2.040 8.363 1.00 0.00 H new ATOM 0 HA ALA A 61 2.380 4.805 8.435 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.304 4.202 7.233 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.717 3.335 6.586 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.568 2.492 7.652 1.00 0.00 H new ATOM 961 N ARG A 62 0.357 3.025 10.356 1.00 0.00 N ATOM 962 CA ARG A 62 -0.544 3.114 11.499 1.00 0.00 C ATOM 963 C ARG A 62 0.066 3.968 12.607 1.00 0.00 C ATOM 964 O ARG A 62 -0.608 4.815 13.194 1.00 0.00 O ATOM 965 CB ARG A 62 -0.862 1.717 12.035 1.00 0.00 C ATOM 966 CG ARG A 62 -1.415 0.772 10.981 1.00 0.00 C ATOM 967 CD ARG A 62 -1.832 -0.558 11.589 1.00 0.00 C ATOM 968 NE ARG A 62 -0.680 -1.379 11.952 1.00 0.00 N ATOM 969 CZ ARG A 62 -0.028 -1.263 13.104 1.00 0.00 C ATOM 970 NH1 ARG A 62 -0.414 -0.365 14.000 1.00 0.00 N ATOM 971 NH2 ARG A 62 1.011 -2.047 13.361 1.00 0.00 N ATOM 0 H ARG A 62 0.477 2.082 9.986 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.468 3.587 11.165 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.044 1.285 12.459 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.584 1.804 12.847 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.272 1.234 10.490 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -0.661 0.602 10.212 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.441 -0.377 12.474 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -2.455 -1.102 10.879 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.358 -2.080 11.285 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.213 0.239 13.806 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.088 -0.278 14.884 1.00 0.00 H new ATOM 0 HH21 ARG A 62 1.310 -2.739 12.674 1.00 0.00 H new ATOM 0 HH22 ARG A 62 1.511 -1.957 14.245 1.00 0.00 H new ATOM 985 N ARG A 63 1.345 3.739 12.887 1.00 0.00 N ATOM 986 CA ARG A 63 2.045 4.487 13.925 1.00 0.00 C ATOM 987 C ARG A 63 2.034 5.982 13.620 1.00 0.00 C ATOM 988 O ARG A 63 2.074 6.811 14.529 1.00 0.00 O ATOM 989 CB ARG A 63 3.487 3.992 14.054 1.00 0.00 C ATOM 990 CG ARG A 63 3.615 2.676 14.804 1.00 0.00 C ATOM 991 CD ARG A 63 4.909 1.959 14.453 1.00 0.00 C ATOM 992 NE ARG A 63 6.081 2.656 14.977 1.00 0.00 N ATOM 993 CZ ARG A 63 7.326 2.383 14.603 1.00 0.00 C ATOM 994 NH1 ARG A 63 7.560 1.433 13.708 1.00 0.00 N ATOM 995 NH2 ARG A 63 8.340 3.060 15.125 1.00 0.00 N ATOM 0 H ARG A 63 1.917 3.042 12.410 1.00 0.00 H new ATOM 0 HA ARG A 63 1.525 4.323 14.869 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.913 3.875 13.057 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.078 4.751 14.566 1.00 0.00 H new ATOM 0 HG2 ARG A 63 3.581 2.863 15.877 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.766 2.035 14.565 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.882 0.945 14.853 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.993 1.872 13.370 1.00 0.00 H new ATOM 0 HE ARG A 63 5.935 3.392 15.668 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.783 0.910 13.305 1.00 0.00 H new ATOM 0 HH12 ARG A 63 8.517 1.226 13.423 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.164 3.791 15.814 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.296 2.850 14.837 1.00 0.00 H new ATOM 1009 N ARG A 64 1.980 6.318 12.335 1.00 0.00 N ATOM 1010 CA ARG A 64 1.965 7.712 11.911 1.00 0.00 C ATOM 1011 C ARG A 64 0.598 8.343 12.161 1.00 0.00 C ATOM 1012 O ARG A 64 0.490 9.367 12.835 1.00 0.00 O ATOM 1013 CB ARG A 64 2.324 7.820 10.428 1.00 0.00 C ATOM 1014 CG ARG A 64 3.635 7.139 10.068 1.00 0.00 C ATOM 1015 CD ARG A 64 4.254 7.748 8.819 1.00 0.00 C ATOM 1016 NE ARG A 64 4.682 9.127 9.037 1.00 0.00 N ATOM 1017 CZ ARG A 64 5.151 9.912 8.073 1.00 0.00 C ATOM 1018 NH1 ARG A 64 5.252 9.456 6.833 1.00 0.00 N ATOM 1019 NH2 ARG A 64 5.520 11.156 8.350 1.00 0.00 N ATOM 0 H ARG A 64 1.946 5.644 11.570 1.00 0.00 H new ATOM 0 HA ARG A 64 2.708 8.252 12.499 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.521 7.381 9.836 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.384 8.873 10.153 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.333 7.227 10.901 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.462 6.075 9.908 1.00 0.00 H new ATOM 0 HD2 ARG A 64 5.109 7.148 8.509 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.531 7.717 8.004 1.00 0.00 H new ATOM 0 HE ARG A 64 4.617 9.508 9.981 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.969 8.500 6.617 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.612 10.061 6.095 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.444 11.510 9.303 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.880 11.758 7.609 1.00 0.00 H new ATOM 1033 N ILE A 65 -0.442 7.724 11.613 1.00 0.00 N ATOM 1034 CA ILE A 65 -1.802 8.224 11.777 1.00 0.00 C ATOM 1035 C ILE A 65 -2.239 8.158 13.236 1.00 0.00 C ATOM 1036 O ILE A 65 -3.034 8.979 13.695 1.00 0.00 O ATOM 1037 CB ILE A 65 -2.802 7.428 10.917 1.00 0.00 C ATOM 1038 CG1 ILE A 65 -2.696 5.933 11.224 1.00 0.00 C ATOM 1039 CG2 ILE A 65 -2.554 7.690 9.439 1.00 0.00 C ATOM 1040 CD1 ILE A 65 -3.869 5.127 10.712 1.00 0.00 C ATOM 0 H ILE A 65 -0.369 6.876 11.052 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.798 9.263 11.447 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.812 7.758 11.161 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.778 5.544 10.783 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.615 5.797 12.302 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.268 7.121 8.844 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -2.676 8.753 9.233 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.540 7.384 9.180 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.727 4.076 10.965 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.788 5.490 11.172 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.939 5.233 9.629 1.00 0.00 H new ATOM 1052 N LEU A 66 -1.712 7.178 13.962 1.00 0.00 N ATOM 1053 CA LEU A 66 -2.047 7.006 15.372 1.00 0.00 C ATOM 1054 C LEU A 66 -1.573 8.201 16.194 1.00 0.00 C ATOM 1055 O LEU A 66 -2.332 8.764 16.981 1.00 0.00 O ATOM 1056 CB LEU A 66 -1.419 5.720 15.912 1.00 0.00 C ATOM 1057 CG LEU A 66 -2.163 4.424 15.591 1.00 0.00 C ATOM 1058 CD1 LEU A 66 -1.259 3.221 15.807 1.00 0.00 C ATOM 1059 CD2 LEU A 66 -3.421 4.307 16.439 1.00 0.00 C ATOM 0 H LEU A 66 -1.052 6.491 13.598 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.132 6.937 15.457 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.406 5.641 15.518 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.334 5.808 16.995 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.457 4.447 14.542 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.806 2.308 15.573 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.388 3.299 15.156 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.933 3.193 16.847 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.938 3.378 16.197 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.149 4.307 17.495 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.078 5.152 16.234 1.00 0.00 H new ATOM 1071 N GLN A 67 -0.314 8.581 16.003 1.00 0.00 N ATOM 1072 CA GLN A 67 0.261 9.710 16.725 1.00 0.00 C ATOM 1073 C GLN A 67 0.419 10.919 15.810 1.00 0.00 C ATOM 1074 O GLN A 67 1.468 11.113 15.196 1.00 0.00 O ATOM 1075 CB GLN A 67 1.616 9.326 17.321 1.00 0.00 C ATOM 1076 CG GLN A 67 2.253 10.431 18.148 1.00 0.00 C ATOM 1077 CD GLN A 67 3.675 10.105 18.561 1.00 0.00 C ATOM 1078 OE1 GLN A 67 4.016 8.944 18.793 1.00 0.00 O ATOM 1079 NE2 GLN A 67 4.514 11.130 18.655 1.00 0.00 N ATOM 0 H GLN A 67 0.327 8.124 15.355 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.421 9.976 17.533 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.491 8.442 17.946 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.294 9.052 16.513 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.249 11.358 17.574 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.651 10.606 19.040 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.189 12.075 18.454 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.484 10.972 18.929 1.00 0.00 H new ATOM 1088 N SER A 68 -0.631 11.730 15.722 1.00 0.00 N ATOM 1089 CA SER A 68 -0.609 12.919 14.877 1.00 0.00 C ATOM 1090 C SER A 68 0.621 13.772 15.170 1.00 0.00 C ATOM 1091 O SER A 68 1.324 14.202 14.257 1.00 0.00 O ATOM 1092 CB SER A 68 -1.879 13.745 15.091 1.00 0.00 C ATOM 1093 OG SER A 68 -2.931 13.289 14.258 1.00 0.00 O ATOM 0 H SER A 68 -1.507 11.586 16.225 1.00 0.00 H new ATOM 0 HA SER A 68 -0.565 12.595 13.837 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.185 13.683 16.135 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.674 14.795 14.881 1.00 0.00 H new ATOM 0 HG SER A 68 -3.732 13.832 14.415 1.00 0.00 H new ATOM 1099 N GLY A 69 0.875 14.012 16.453 1.00 0.00 N ATOM 1100 CA GLY A 69 2.021 14.812 16.845 1.00 0.00 C ATOM 1101 C GLY A 69 1.626 16.035 17.650 1.00 0.00 C ATOM 1102 O GLY A 69 0.488 16.167 18.099 1.00 0.00 O ATOM 0 H GLY A 69 0.308 13.667 17.227 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.704 14.199 17.433 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.563 15.127 15.953 1.00 0.00 H new ATOM 1106 N PRO A 70 2.582 16.955 17.842 1.00 0.00 N ATOM 1107 CA PRO A 70 2.352 18.189 18.600 1.00 0.00 C ATOM 1108 C PRO A 70 1.431 19.157 17.865 1.00 0.00 C ATOM 1109 O PRO A 70 1.111 20.232 18.374 1.00 0.00 O ATOM 1110 CB PRO A 70 3.755 18.787 18.739 1.00 0.00 C ATOM 1111 CG PRO A 70 4.516 18.239 17.582 1.00 0.00 C ATOM 1112 CD PRO A 70 3.961 16.863 17.335 1.00 0.00 C ATOM 0 HA PRO A 70 1.860 17.996 19.553 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.725 19.876 18.713 1.00 0.00 H new ATOM 0 HB3 PRO A 70 4.215 18.503 19.686 1.00 0.00 H new ATOM 0 HG2 PRO A 70 4.397 18.871 16.702 1.00 0.00 H new ATOM 0 HG3 PRO A 70 5.583 18.196 17.802 1.00 0.00 H new ATOM 0 HD2 PRO A 70 3.983 16.605 16.276 1.00 0.00 H new ATOM 0 HD3 PRO A 70 4.533 16.099 17.862 1.00 0.00 H new ATOM 1120 N SER A 71 1.008 18.770 16.667 1.00 0.00 N ATOM 1121 CA SER A 71 0.126 19.606 15.860 1.00 0.00 C ATOM 1122 C SER A 71 -1.254 18.968 15.726 1.00 0.00 C ATOM 1123 O SER A 71 -1.377 17.805 15.342 1.00 0.00 O ATOM 1124 CB SER A 71 0.732 19.835 14.475 1.00 0.00 C ATOM 1125 OG SER A 71 0.063 20.882 13.793 1.00 0.00 O ATOM 0 H SER A 71 1.261 17.883 16.233 1.00 0.00 H new ATOM 0 HA SER A 71 0.016 20.567 16.363 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.790 20.078 14.573 1.00 0.00 H new ATOM 0 HB3 SER A 71 0.669 18.917 13.890 1.00 0.00 H new ATOM 0 HG SER A 71 0.470 21.010 12.911 1.00 0.00 H new ATOM 1131 N SER A 72 -2.289 19.738 16.045 1.00 0.00 N ATOM 1132 CA SER A 72 -3.660 19.249 15.964 1.00 0.00 C ATOM 1133 C SER A 72 -4.403 19.904 14.804 1.00 0.00 C ATOM 1134 O SER A 72 -4.498 21.128 14.725 1.00 0.00 O ATOM 1135 CB SER A 72 -4.399 19.520 17.276 1.00 0.00 C ATOM 1136 OG SER A 72 -4.573 20.910 17.486 1.00 0.00 O ATOM 0 H SER A 72 -2.204 20.704 16.362 1.00 0.00 H new ATOM 0 HA SER A 72 -3.626 18.174 15.790 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.371 19.027 17.258 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.840 19.091 18.107 1.00 0.00 H new ATOM 0 HG SER A 72 -4.611 21.369 16.621 1.00 0.00 H new ATOM 1142 N GLY A 73 -4.929 19.078 13.904 1.00 0.00 N ATOM 1143 CA GLY A 73 -5.656 19.594 12.759 1.00 0.00 C ATOM 1144 C GLY A 73 -7.019 18.950 12.601 1.00 0.00 C ATOM 1145 O GLY A 73 -8.045 19.583 12.852 1.00 0.00 O ATOM 0 H GLY A 73 -4.864 18.061 13.948 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -5.777 20.672 12.865 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -5.071 19.426 11.855 1.00 0.00 H new TER 1149 GLY A 73