USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 587 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 46 HIS : no HD1:sc= -3.99! K(o=-4!,f=-1.9) USER MOD Set 1.2: A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc=-0.00666 K(o=-0.0067,f=0.51) USER MOD Single : A 13 LYS NZ :NH3+ -161:sc= -0.754 (180deg=-1.49!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0795) USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=0.76) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0.178 K(o=0.18,f=-1.5) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 98:sc= -0.931 USER MOD Single : A 38 GLN : amide:sc= -0.0674 X(o=-0.067,f=-0.17) USER MOD Single : A 39 HIS : no HD1:sc= -0.0946 X(o=-0.095,f=0) USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.691 K(o=-0.69,f=-5.6!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -1.14 X(o=-1.1,f=-1) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -120:sc= 0.066 (180deg=0) USER MOD Single : A 65 CYS SG : rot -30:sc= -2.12 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 100:sc= -0.119 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -115:sc= 1.09 (180deg=-1.16) USER MOD Single : A 78 TYR OH : rot 141:sc= 0.371! USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.635 K(o=-0.63,f=1) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 10 -2.340 13.208 1.612 1.00 23.20 N ATOM 2 CA ASN A 10 -1.481 12.074 1.295 1.00 31.00 C ATOM 3 C ASN A 10 -2.013 10.794 1.930 1.00 11.40 C ATOM 4 O ASN A 10 -1.921 9.714 1.346 1.00 52.10 O ATOM 5 CB ASN A 10 -0.052 12.339 1.774 1.00 22.40 C ATOM 6 CG ASN A 10 0.561 13.560 1.115 1.00 21.50 C ATOM 7 OD1 ASN A 10 1.109 13.477 0.016 1.00 33.30 O ATOM 8 ND2 ASN A 10 0.472 14.702 1.787 1.00 51.10 N ATOM 0 HA ASN A 10 -1.476 11.946 0.213 1.00 31.00 H new ATOM 0 HB2 ASN A 10 -0.053 12.475 2.855 1.00 22.40 H new ATOM 0 HB3 ASN A 10 0.567 11.467 1.563 1.00 22.40 H new ATOM 0 HD21 ASN A 10 0.867 15.557 1.395 1.00 51.10 H new ATOM 0 HD22 ASN A 10 0.009 14.724 2.695 1.00 51.10 H new ATOM 15 N LEU A 11 -2.570 10.922 3.130 1.00 31.40 N ATOM 16 CA LEU A 11 -3.117 9.776 3.846 1.00 34.00 C ATOM 17 C LEU A 11 -4.457 9.353 3.252 1.00 34.00 C ATOM 18 O LEU A 11 -4.780 8.166 3.206 1.00 20.30 O ATOM 19 CB LEU A 11 -3.286 10.107 5.330 1.00 12.00 C ATOM 20 CG LEU A 11 -3.865 8.978 6.184 1.00 5.11 C ATOM 21 CD1 LEU A 11 -2.754 8.076 6.700 1.00 11.20 C ATOM 22 CD2 LEU A 11 -4.674 9.547 7.340 1.00 32.30 C ATOM 0 H LEU A 11 -2.654 11.809 3.627 1.00 31.40 H new ATOM 0 HA LEU A 11 -2.416 8.948 3.744 1.00 34.00 H new ATOM 0 HB2 LEU A 11 -2.315 10.388 5.737 1.00 12.00 H new ATOM 0 HB3 LEU A 11 -3.934 10.979 5.421 1.00 12.00 H new ATOM 0 HG LEU A 11 -4.530 8.380 5.561 1.00 5.11 H new ATOM 0 HD11 LEU A 11 -3.185 7.278 7.306 1.00 11.20 H new ATOM 0 HD12 LEU A 11 -2.217 7.642 5.857 1.00 11.20 H new ATOM 0 HD13 LEU A 11 -2.063 8.661 7.308 1.00 11.20 H new ATOM 0 HD21 LEU A 11 -5.079 8.730 7.938 1.00 32.30 H new ATOM 0 HD22 LEU A 11 -4.031 10.168 7.963 1.00 32.30 H new ATOM 0 HD23 LEU A 11 -5.493 10.151 6.949 1.00 32.30 H new ATOM 34 N GLN A 12 -5.232 10.331 2.797 1.00 21.40 N ATOM 35 CA GLN A 12 -6.537 10.060 2.206 1.00 52.10 C ATOM 36 C GLN A 12 -6.403 9.164 0.979 1.00 2.02 C ATOM 37 O GLN A 12 -7.289 8.362 0.684 1.00 15.10 O ATOM 38 CB GLN A 12 -7.229 11.370 1.822 1.00 60.30 C ATOM 39 CG GLN A 12 -8.704 11.206 1.496 1.00 2.50 C ATOM 40 CD GLN A 12 -8.971 11.175 0.004 1.00 70.10 C ATOM 41 OE1 GLN A 12 -9.014 10.108 -0.608 1.00 73.40 O ATOM 42 NE2 GLN A 12 -9.152 12.349 -0.590 1.00 1.44 N ATOM 0 H GLN A 12 -4.979 11.319 2.826 1.00 21.40 H new ATOM 0 HA GLN A 12 -7.143 9.541 2.948 1.00 52.10 H new ATOM 0 HB2 GLN A 12 -7.123 12.081 2.642 1.00 60.30 H new ATOM 0 HB3 GLN A 12 -6.720 11.801 0.959 1.00 60.30 H new ATOM 0 HG2 GLN A 12 -9.072 10.284 1.946 1.00 2.50 H new ATOM 0 HG3 GLN A 12 -9.265 12.026 1.945 1.00 2.50 H new ATOM 0 HE21 GLN A 12 -9.108 13.209 -0.044 1.00 1.44 H new ATOM 0 HE22 GLN A 12 -9.335 12.390 -1.593 1.00 1.44 H new ATOM 51 N LYS A 13 -5.289 9.306 0.268 1.00 72.20 N ATOM 52 CA LYS A 13 -5.039 8.509 -0.927 1.00 73.10 C ATOM 53 C LYS A 13 -4.522 7.122 -0.558 1.00 3.24 C ATOM 54 O LYS A 13 -4.881 6.127 -1.187 1.00 53.50 O ATOM 55 CB LYS A 13 -4.031 9.216 -1.835 1.00 14.30 C ATOM 56 CG LYS A 13 -3.835 8.530 -3.177 1.00 65.20 C ATOM 57 CD LYS A 13 -4.902 8.945 -4.177 1.00 54.10 C ATOM 58 CE LYS A 13 -4.482 10.180 -4.958 1.00 5.41 C ATOM 59 NZ LYS A 13 -4.559 11.415 -4.130 1.00 61.50 N ATOM 0 H LYS A 13 -4.546 9.965 0.499 1.00 72.20 H new ATOM 0 HA LYS A 13 -5.982 8.395 -1.461 1.00 73.10 H new ATOM 0 HB2 LYS A 13 -4.364 10.240 -2.005 1.00 14.30 H new ATOM 0 HB3 LYS A 13 -3.071 9.274 -1.322 1.00 14.30 H new ATOM 0 HG2 LYS A 13 -2.849 8.776 -3.572 1.00 65.20 H new ATOM 0 HG3 LYS A 13 -3.863 7.449 -3.041 1.00 65.20 H new ATOM 0 HD2 LYS A 13 -5.094 8.124 -4.868 1.00 54.10 H new ATOM 0 HD3 LYS A 13 -5.836 9.145 -3.652 1.00 54.10 H new ATOM 0 HE2 LYS A 13 -3.463 10.050 -5.322 1.00 5.41 H new ATOM 0 HE3 LYS A 13 -5.121 10.290 -5.834 1.00 5.41 H new ATOM 0 HZ1 LYS A 13 -4.584 12.249 -4.751 1.00 61.50 H new ATOM 0 HZ2 LYS A 13 -5.421 11.390 -3.549 1.00 61.50 H new ATOM 0 HZ3 LYS A 13 -3.726 11.470 -3.510 1.00 61.50 H new ATOM 73 N ALA A 14 -3.676 7.065 0.466 1.00 44.20 N ATOM 74 CA ALA A 14 -3.110 5.800 0.919 1.00 73.30 C ATOM 75 C ALA A 14 -4.205 4.833 1.354 1.00 61.30 C ATOM 76 O ALA A 14 -4.132 3.634 1.083 1.00 1.54 O ATOM 77 CB ALA A 14 -2.131 6.040 2.059 1.00 44.10 C ATOM 0 H ALA A 14 -3.368 7.880 0.997 1.00 44.20 H new ATOM 0 HA ALA A 14 -2.575 5.349 0.083 1.00 73.30 H new ATOM 0 HB1 ALA A 14 -1.715 5.088 2.388 1.00 44.10 H new ATOM 0 HB2 ALA A 14 -1.325 6.689 1.716 1.00 44.10 H new ATOM 0 HB3 ALA A 14 -2.651 6.516 2.891 1.00 44.10 H new ATOM 83 N ILE A 15 -5.220 5.361 2.030 1.00 54.20 N ATOM 84 CA ILE A 15 -6.331 4.544 2.502 1.00 24.30 C ATOM 85 C ILE A 15 -7.289 4.207 1.364 1.00 35.20 C ATOM 86 O ILE A 15 -7.856 3.116 1.319 1.00 51.30 O ATOM 87 CB ILE A 15 -7.115 5.253 3.623 1.00 44.00 C ATOM 88 CG1 ILE A 15 -6.155 5.778 4.693 1.00 32.40 C ATOM 89 CG2 ILE A 15 -8.135 4.307 4.237 1.00 73.50 C ATOM 90 CD1 ILE A 15 -6.774 6.818 5.602 1.00 51.40 C ATOM 0 H ILE A 15 -5.296 6.351 2.263 1.00 54.20 H new ATOM 0 HA ILE A 15 -5.900 3.624 2.896 1.00 24.30 H new ATOM 0 HB ILE A 15 -7.649 6.100 3.193 1.00 44.00 H new ATOM 0 HG12 ILE A 15 -5.804 4.941 5.297 1.00 32.40 H new ATOM 0 HG13 ILE A 15 -5.280 6.208 4.205 1.00 32.40 H new ATOM 0 HG21 ILE A 15 -8.680 4.823 5.027 1.00 73.50 H new ATOM 0 HG22 ILE A 15 -8.835 3.978 3.469 1.00 73.50 H new ATOM 0 HG23 ILE A 15 -7.622 3.441 4.656 1.00 73.50 H new ATOM 0 HD11 ILE A 15 -6.037 7.145 6.335 1.00 51.40 H new ATOM 0 HD12 ILE A 15 -7.099 7.672 5.009 1.00 51.40 H new ATOM 0 HD13 ILE A 15 -7.632 6.386 6.117 1.00 51.40 H new ATOM 102 N ASP A 16 -7.464 5.152 0.446 1.00 1.40 N ATOM 103 CA ASP A 16 -8.353 4.956 -0.693 1.00 1.03 C ATOM 104 C ASP A 16 -7.872 3.800 -1.565 1.00 32.30 C ATOM 105 O ASP A 16 -8.673 3.002 -2.051 1.00 3.41 O ATOM 106 CB ASP A 16 -8.439 6.236 -1.526 1.00 41.30 C ATOM 107 CG ASP A 16 -9.788 6.398 -2.199 1.00 2.12 C ATOM 108 OD1 ASP A 16 -10.800 6.509 -1.479 1.00 24.00 O ATOM 109 OD2 ASP A 16 -9.830 6.414 -3.447 1.00 53.40 O ATOM 0 H ASP A 16 -7.002 6.061 0.469 1.00 1.40 H new ATOM 0 HA ASP A 16 -9.344 4.712 -0.311 1.00 1.03 H new ATOM 0 HB2 ASP A 16 -8.250 7.097 -0.885 1.00 41.30 H new ATOM 0 HB3 ASP A 16 -7.656 6.226 -2.285 1.00 41.30 H new ATOM 114 N LEU A 17 -6.560 3.717 -1.759 1.00 74.20 N ATOM 115 CA LEU A 17 -5.973 2.659 -2.572 1.00 63.20 C ATOM 116 C LEU A 17 -6.004 1.325 -1.834 1.00 3.04 C ATOM 117 O LEU A 17 -6.209 0.273 -2.440 1.00 43.30 O ATOM 118 CB LEU A 17 -4.533 3.015 -2.947 1.00 4.21 C ATOM 119 CG LEU A 17 -4.373 4.310 -3.745 1.00 10.20 C ATOM 120 CD1 LEU A 17 -3.048 4.980 -3.414 1.00 35.30 C ATOM 121 CD2 LEU A 17 -4.473 4.031 -5.237 1.00 72.10 C ATOM 0 H LEU A 17 -5.883 4.370 -1.364 1.00 74.20 H new ATOM 0 HA LEU A 17 -6.565 2.563 -3.482 1.00 63.20 H new ATOM 0 HB2 LEU A 17 -3.945 3.094 -2.033 1.00 4.21 H new ATOM 0 HB3 LEU A 17 -4.111 2.194 -3.527 1.00 4.21 H new ATOM 0 HG LEU A 17 -5.179 4.989 -3.467 1.00 10.20 H new ATOM 0 HD11 LEU A 17 -2.951 5.900 -3.991 1.00 35.30 H new ATOM 0 HD12 LEU A 17 -3.014 5.214 -2.350 1.00 35.30 H new ATOM 0 HD13 LEU A 17 -2.228 4.307 -3.664 1.00 35.30 H new ATOM 0 HD21 LEU A 17 -4.357 4.963 -5.790 1.00 72.10 H new ATOM 0 HD22 LEU A 17 -3.687 3.335 -5.530 1.00 72.10 H new ATOM 0 HD23 LEU A 17 -5.446 3.595 -5.461 1.00 72.10 H new ATOM 133 N ALA A 18 -5.799 1.375 -0.522 1.00 2.43 N ATOM 134 CA ALA A 18 -5.803 0.171 0.299 1.00 51.20 C ATOM 135 C ALA A 18 -7.151 -0.538 0.226 1.00 24.30 C ATOM 136 O ALA A 18 -7.216 -1.766 0.165 1.00 34.00 O ATOM 137 CB ALA A 18 -5.463 0.515 1.741 1.00 11.00 C ATOM 0 H ALA A 18 -5.628 2.237 -0.005 1.00 2.43 H new ATOM 0 HA ALA A 18 -5.044 -0.507 -0.090 1.00 51.20 H new ATOM 0 HB1 ALA A 18 -5.470 -0.394 2.343 1.00 11.00 H new ATOM 0 HB2 ALA A 18 -4.474 0.971 1.783 1.00 11.00 H new ATOM 0 HB3 ALA A 18 -6.202 1.215 2.132 1.00 11.00 H new ATOM 143 N SER A 19 -8.226 0.243 0.234 1.00 5.52 N ATOM 144 CA SER A 19 -9.574 -0.310 0.168 1.00 40.00 C ATOM 145 C SER A 19 -9.855 -0.897 -1.211 1.00 22.40 C ATOM 146 O SER A 19 -10.460 -1.960 -1.333 1.00 63.40 O ATOM 147 CB SER A 19 -10.600 0.769 0.496 1.00 11.20 C ATOM 148 OG SER A 19 -10.600 1.078 1.879 1.00 10.40 O ATOM 0 H SER A 19 -8.190 1.261 0.286 1.00 5.52 H new ATOM 0 HA SER A 19 -9.650 -1.111 0.903 1.00 40.00 H new ATOM 0 HB2 SER A 19 -10.381 1.668 -0.079 1.00 11.20 H new ATOM 0 HB3 SER A 19 -11.593 0.433 0.197 1.00 11.20 H new ATOM 0 HG SER A 19 -11.266 1.774 2.059 1.00 10.40 H new ATOM 154 N LYS A 20 -9.407 -0.197 -2.249 1.00 24.40 N ATOM 155 CA LYS A 20 -9.611 -0.648 -3.620 1.00 62.10 C ATOM 156 C LYS A 20 -8.737 -1.860 -3.929 1.00 54.20 C ATOM 157 O LYS A 20 -9.184 -2.814 -4.565 1.00 44.50 O ATOM 158 CB LYS A 20 -9.301 0.483 -4.603 1.00 14.40 C ATOM 159 CG LYS A 20 -10.490 1.379 -4.894 1.00 21.20 C ATOM 160 CD LYS A 20 -11.200 0.961 -6.170 1.00 14.50 C ATOM 161 CE LYS A 20 -10.430 1.388 -7.407 1.00 23.10 C ATOM 162 NZ LYS A 20 -10.520 2.855 -7.642 1.00 21.20 N ATOM 0 H LYS A 20 -8.901 0.684 -2.166 1.00 24.40 H new ATOM 0 HA LYS A 20 -10.656 -0.938 -3.729 1.00 62.10 H new ATOM 0 HB2 LYS A 20 -8.489 1.090 -4.201 1.00 14.40 H new ATOM 0 HB3 LYS A 20 -8.944 0.052 -5.538 1.00 14.40 H new ATOM 0 HG2 LYS A 20 -11.189 1.342 -4.058 1.00 21.20 H new ATOM 0 HG3 LYS A 20 -10.155 2.412 -4.984 1.00 21.20 H new ATOM 0 HD2 LYS A 20 -11.329 -0.121 -6.177 1.00 14.50 H new ATOM 0 HD3 LYS A 20 -12.197 1.401 -6.192 1.00 14.50 H new ATOM 0 HE2 LYS A 20 -9.384 1.102 -7.299 1.00 23.10 H new ATOM 0 HE3 LYS A 20 -10.818 0.857 -8.276 1.00 23.10 H new ATOM 0 HZ1 LYS A 20 -10.129 3.081 -8.579 1.00 21.20 H new ATOM 0 HZ2 LYS A 20 -11.516 3.153 -7.602 1.00 21.20 H new ATOM 0 HZ3 LYS A 20 -9.979 3.358 -6.910 1.00 21.20 H new ATOM 176 N ALA A 21 -7.489 -1.814 -3.475 1.00 33.30 N ATOM 177 CA ALA A 21 -6.552 -2.908 -3.703 1.00 4.20 C ATOM 178 C ALA A 21 -7.043 -4.195 -3.049 1.00 21.20 C ATOM 179 O ALA A 21 -7.095 -5.246 -3.688 1.00 3.31 O ATOM 180 CB ALA A 21 -5.173 -2.539 -3.178 1.00 3.23 C ATOM 0 H ALA A 21 -7.103 -1.031 -2.947 1.00 33.30 H new ATOM 0 HA ALA A 21 -6.485 -3.080 -4.777 1.00 4.20 H new ATOM 0 HB1 ALA A 21 -4.484 -3.365 -3.355 1.00 3.23 H new ATOM 0 HB2 ALA A 21 -4.813 -1.649 -3.694 1.00 3.23 H new ATOM 0 HB3 ALA A 21 -5.233 -2.339 -2.108 1.00 3.23 H new ATOM 186 N ALA A 22 -7.401 -4.105 -1.773 1.00 14.50 N ATOM 187 CA ALA A 22 -7.887 -5.263 -1.033 1.00 45.50 C ATOM 188 C ALA A 22 -9.144 -5.838 -1.676 1.00 73.20 C ATOM 189 O ALA A 22 -9.359 -7.050 -1.669 1.00 22.20 O ATOM 190 CB ALA A 22 -8.159 -4.887 0.416 1.00 33.40 C ATOM 0 H ALA A 22 -7.364 -3.242 -1.230 1.00 14.50 H new ATOM 0 HA ALA A 22 -7.113 -6.030 -1.059 1.00 45.50 H new ATOM 0 HB1 ALA A 22 -8.521 -5.761 0.957 1.00 33.40 H new ATOM 0 HB2 ALA A 22 -7.239 -4.530 0.878 1.00 33.40 H new ATOM 0 HB3 ALA A 22 -8.912 -4.100 0.452 1.00 33.40 H new ATOM 196 N GLN A 23 -9.972 -4.960 -2.232 1.00 12.30 N ATOM 197 CA GLN A 23 -11.200 -5.380 -2.881 1.00 55.40 C ATOM 198 C GLN A 23 -10.930 -5.923 -4.279 1.00 31.40 C ATOM 199 O GLN A 23 -11.630 -6.813 -4.760 1.00 60.00 O ATOM 200 CB GLN A 23 -12.190 -4.210 -2.960 1.00 33.40 C ATOM 201 CG GLN A 23 -12.960 -3.980 -1.675 1.00 33.50 C ATOM 202 CD GLN A 23 -13.790 -2.712 -1.715 1.00 61.50 C ATOM 203 OE1 GLN A 23 -13.260 -1.607 -1.779 1.00 72.40 O ATOM 204 NE2 GLN A 23 -15.110 -2.866 -1.676 1.00 52.10 N ATOM 0 H GLN A 23 -9.811 -3.953 -2.244 1.00 12.30 H new ATOM 0 HA GLN A 23 -11.635 -6.180 -2.281 1.00 55.40 H new ATOM 0 HB2 GLN A 23 -11.646 -3.301 -3.215 1.00 33.40 H new ATOM 0 HB3 GLN A 23 -12.896 -4.396 -3.769 1.00 33.40 H new ATOM 0 HG2 GLN A 23 -13.613 -4.832 -1.489 1.00 33.50 H new ATOM 0 HG3 GLN A 23 -12.261 -3.927 -0.841 1.00 33.50 H new ATOM 0 HE21 GLN A 23 -15.513 -3.802 -1.623 1.00 52.10 H new ATOM 0 HE22 GLN A 23 -15.720 -2.049 -1.699 1.00 52.10 H new ATOM 213 N GLU A 24 -9.906 -5.381 -4.927 1.00 43.40 N ATOM 214 CA GLU A 24 -9.537 -5.812 -6.270 1.00 0.50 C ATOM 215 C GLU A 24 -8.985 -7.233 -6.254 1.00 34.40 C ATOM 216 O GLU A 24 -9.419 -8.088 -7.026 1.00 33.40 O ATOM 217 CB GLU A 24 -8.502 -4.857 -6.868 1.00 21.20 C ATOM 218 CG GLU A 24 -9.099 -3.557 -7.382 1.00 24.40 C ATOM 219 CD GLU A 24 -9.508 -3.641 -8.840 1.00 70.00 C ATOM 220 OE1 GLU A 24 -9.860 -4.749 -9.295 1.00 13.10 O ATOM 221 OE2 GLU A 24 -9.475 -2.598 -9.526 1.00 53.00 O ATOM 0 H GLU A 24 -9.316 -4.642 -4.544 1.00 43.40 H new ATOM 0 HA GLU A 24 -10.435 -5.798 -6.888 1.00 0.50 H new ATOM 0 HB2 GLU A 24 -7.751 -4.628 -6.112 1.00 21.20 H new ATOM 0 HB3 GLU A 24 -7.987 -5.359 -7.687 1.00 21.20 H new ATOM 0 HG2 GLU A 24 -9.969 -3.297 -6.779 1.00 24.40 H new ATOM 0 HG3 GLU A 24 -8.373 -2.754 -7.258 1.00 24.40 H new ATOM 228 N ASP A 25 -8.025 -7.479 -5.368 1.00 62.10 N ATOM 229 CA ASP A 25 -7.413 -8.798 -5.251 1.00 22.40 C ATOM 230 C ASP A 25 -8.454 -9.850 -4.884 1.00 61.50 C ATOM 231 O ASP A 25 -8.550 -10.890 -5.529 1.00 24.20 O ATOM 232 CB ASP A 25 -6.302 -8.776 -4.200 1.00 3.10 C ATOM 233 CG ASP A 25 -5.404 -9.995 -4.282 1.00 33.10 C ATOM 234 OD1 ASP A 25 -4.633 -10.100 -5.260 1.00 51.30 O ATOM 235 OD2 ASP A 25 -5.471 -10.840 -3.370 1.00 72.10 O ATOM 0 H ASP A 25 -7.654 -6.783 -4.721 1.00 62.10 H new ATOM 0 HA ASP A 25 -6.984 -9.059 -6.218 1.00 22.40 H new ATOM 0 HB2 ASP A 25 -5.701 -7.876 -4.330 1.00 3.10 H new ATOM 0 HB3 ASP A 25 -6.747 -8.722 -3.206 1.00 3.10 H new ATOM 240 N LYS A 26 -9.233 -9.568 -3.845 1.00 61.50 N ATOM 241 CA LYS A 26 -10.260 -10.490 -3.392 1.00 4.24 C ATOM 242 C LYS A 26 -11.300 -10.720 -4.488 1.00 2.31 C ATOM 243 O LYS A 26 -11.880 -11.800 -4.587 1.00 60.50 O ATOM 244 CB LYS A 26 -10.950 -9.946 -2.137 1.00 75.00 C ATOM 245 CG LYS A 26 -10.260 -10.350 -0.844 1.00 24.40 C ATOM 246 CD LYS A 26 -10.450 -9.305 0.240 1.00 1.34 C ATOM 247 CE LYS A 26 -10.080 -9.849 1.611 1.00 74.30 C ATOM 248 NZ LYS A 26 -10.660 -9.026 2.709 1.00 20.10 N ATOM 0 H LYS A 26 -9.170 -8.707 -3.302 1.00 61.50 H new ATOM 0 HA LYS A 26 -9.780 -11.440 -3.155 1.00 4.24 H new ATOM 0 HB2 LYS A 26 -10.988 -8.858 -2.195 1.00 75.00 H new ATOM 0 HB3 LYS A 26 -11.981 -10.300 -2.116 1.00 75.00 H new ATOM 0 HG2 LYS A 26 -10.657 -11.306 -0.502 1.00 24.40 H new ATOM 0 HG3 LYS A 26 -9.195 -10.494 -1.029 1.00 24.40 H new ATOM 0 HD2 LYS A 26 -9.837 -8.432 0.016 1.00 1.34 H new ATOM 0 HD3 LYS A 26 -11.488 -8.972 0.248 1.00 1.34 H new ATOM 0 HE2 LYS A 26 -10.433 -10.876 1.702 1.00 74.30 H new ATOM 0 HE3 LYS A 26 -8.995 -9.875 1.711 1.00 74.30 H new ATOM 0 HZ1 LYS A 26 -10.385 -9.429 3.627 1.00 20.10 H new ATOM 0 HZ2 LYS A 26 -10.303 -8.052 2.638 1.00 20.10 H new ATOM 0 HZ3 LYS A 26 -11.697 -9.022 2.629 1.00 20.10 H new ATOM 262 N ALA A 27 -11.530 -9.706 -5.308 1.00 70.20 N ATOM 263 CA ALA A 27 -12.490 -9.803 -6.396 1.00 2.23 C ATOM 264 C ALA A 27 -11.980 -10.700 -7.510 1.00 62.50 C ATOM 265 O ALA A 27 -12.750 -11.410 -8.162 1.00 42.30 O ATOM 266 CB ALA A 27 -12.810 -8.420 -6.941 1.00 72.40 C ATOM 0 H ALA A 27 -11.062 -8.802 -5.240 1.00 70.20 H new ATOM 0 HA ALA A 27 -13.401 -10.250 -5.997 1.00 2.23 H new ATOM 0 HB1 ALA A 27 -13.530 -8.507 -7.755 1.00 72.40 H new ATOM 0 HB2 ALA A 27 -13.233 -7.805 -6.147 1.00 72.40 H new ATOM 0 HB3 ALA A 27 -11.897 -7.955 -7.313 1.00 72.40 H new ATOM 272 N GLY A 28 -10.660 -10.680 -7.724 1.00 44.20 N ATOM 273 CA GLY A 28 -10.070 -11.500 -8.760 1.00 14.40 C ATOM 274 C GLY A 28 -8.930 -10.800 -9.470 1.00 14.10 C ATOM 275 O GLY A 28 -7.981 -11.440 -9.919 1.00 13.10 O ATOM 0 H GLY A 28 -9.998 -10.111 -7.197 1.00 44.20 H new ATOM 0 HA2 GLY A 28 -9.706 -12.429 -8.321 1.00 14.40 H new ATOM 0 HA3 GLY A 28 -10.836 -11.770 -9.487 1.00 14.40 H new ATOM 279 N ASN A 29 -9.024 -9.479 -9.572 1.00 44.00 N ATOM 280 CA ASN A 29 -7.992 -8.688 -10.230 1.00 22.40 C ATOM 281 C ASN A 29 -6.750 -8.572 -9.355 1.00 71.50 C ATOM 282 O ASN A 29 -6.800 -8.006 -8.263 1.00 21.20 O ATOM 283 CB ASN A 29 -8.525 -7.294 -10.570 1.00 4.02 C ATOM 284 CG ASN A 29 -9.710 -7.341 -11.510 1.00 33.10 C ATOM 285 OD1 ASN A 29 -10.090 -8.408 -11.990 1.00 21.50 O ATOM 286 ND2 ASN A 29 -10.290 -6.181 -11.780 1.00 53.50 N ATOM 0 H ASN A 29 -9.805 -8.934 -9.207 1.00 44.00 H new ATOM 0 HA ASN A 29 -7.715 -9.198 -11.153 1.00 22.40 H new ATOM 0 HB2 ASN A 29 -8.814 -6.785 -9.651 1.00 4.02 H new ATOM 0 HB3 ASN A 29 -7.728 -6.704 -11.024 1.00 4.02 H new ATOM 0 HD21 ASN A 29 -11.090 -6.146 -12.412 1.00 53.50 H new ATOM 0 HD22 ASN A 29 -9.937 -5.323 -11.356 1.00 53.50 H new ATOM 293 N TYR A 30 -5.636 -9.112 -9.840 1.00 31.40 N ATOM 294 CA TYR A 30 -4.381 -9.068 -9.099 1.00 71.10 C ATOM 295 C TYR A 30 -3.456 -7.992 -9.659 1.00 40.20 C ATOM 296 O TYR A 30 -2.715 -7.349 -8.916 1.00 31.50 O ATOM 297 CB TYR A 30 -3.686 -10.430 -9.151 1.00 5.14 C ATOM 298 CG TYR A 30 -4.224 -11.420 -8.146 1.00 61.40 C ATOM 299 CD1 TYR A 30 -5.589 -11.540 -7.921 1.00 24.10 C ATOM 300 CD2 TYR A 30 -3.365 -12.240 -7.422 1.00 24.10 C ATOM 301 CE1 TYR A 30 -6.084 -12.450 -7.003 1.00 54.40 C ATOM 302 CE2 TYR A 30 -3.852 -13.150 -6.502 1.00 14.20 C ATOM 303 CZ TYR A 30 -5.212 -13.250 -6.297 1.00 15.50 C ATOM 304 OH TYR A 30 -5.700 -14.150 -5.382 1.00 35.30 O ATOM 0 H TYR A 30 -5.577 -9.585 -10.742 1.00 31.40 H new ATOM 0 HA TYR A 30 -4.609 -8.823 -8.062 1.00 71.10 H new ATOM 0 HB2 TYR A 30 -3.794 -10.846 -10.153 1.00 5.14 H new ATOM 0 HB3 TYR A 30 -2.619 -10.291 -8.977 1.00 5.14 H new ATOM 0 HD1 TYR A 30 -6.275 -10.913 -8.471 1.00 24.10 H new ATOM 0 HD2 TYR A 30 -2.299 -12.165 -7.581 1.00 24.10 H new ATOM 0 HE1 TYR A 30 -7.149 -12.533 -6.841 1.00 54.40 H new ATOM 0 HE2 TYR A 30 -3.171 -13.779 -5.947 1.00 14.20 H new ATOM 0 HH TYR A 30 -4.955 -14.636 -4.972 1.00 35.30 H new ATOM 314 N GLU A 31 -3.506 -7.801 -10.970 1.00 61.30 N ATOM 315 CA GLU A 31 -2.673 -6.802 -11.630 1.00 70.20 C ATOM 316 C GLU A 31 -2.973 -5.405 -11.090 1.00 1.24 C ATOM 317 O GLU A 31 -2.089 -4.725 -10.570 1.00 71.40 O ATOM 318 CB GLU A 31 -2.894 -6.841 -13.140 1.00 12.40 C ATOM 319 CG GLU A 31 -1.982 -7.819 -13.860 1.00 2.34 C ATOM 320 CD GLU A 31 -2.061 -7.684 -15.370 1.00 51.30 C ATOM 321 OE1 GLU A 31 -3.183 -7.511 -15.890 1.00 61.20 O ATOM 322 OE2 GLU A 31 -1.002 -7.751 -16.030 1.00 12.30 O ATOM 0 H GLU A 31 -4.115 -8.325 -11.599 1.00 61.30 H new ATOM 0 HA GLU A 31 -1.629 -7.036 -11.420 1.00 70.20 H new ATOM 0 HB2 GLU A 31 -3.931 -7.109 -13.341 1.00 12.40 H new ATOM 0 HB3 GLU A 31 -2.738 -5.842 -13.548 1.00 12.40 H new ATOM 0 HG2 GLU A 31 -0.954 -7.657 -13.537 1.00 2.34 H new ATOM 0 HG3 GLU A 31 -2.249 -8.837 -13.575 1.00 2.34 H new ATOM 329 N GLU A 32 -4.227 -4.983 -11.230 1.00 52.20 N ATOM 330 CA GLU A 32 -4.644 -3.667 -10.760 1.00 31.20 C ATOM 331 C GLU A 32 -4.468 -3.547 -9.253 1.00 51.20 C ATOM 332 O GLU A 32 -4.127 -2.481 -8.741 1.00 20.30 O ATOM 333 CB GLU A 32 -6.103 -3.407 -11.140 1.00 61.20 C ATOM 334 CG GLU A 32 -6.503 -1.943 -11.050 1.00 42.00 C ATOM 335 CD GLU A 32 -6.501 -1.257 -12.400 1.00 2.41 C ATOM 336 OE1 GLU A 32 -6.850 -1.916 -13.400 1.00 52.50 O ATOM 337 OE2 GLU A 32 -6.151 -0.059 -12.460 1.00 40.40 O ATOM 0 H GLU A 32 -4.969 -5.532 -11.664 1.00 52.20 H new ATOM 0 HA GLU A 32 -4.013 -2.919 -11.240 1.00 31.20 H new ATOM 0 HB2 GLU A 32 -6.273 -3.760 -12.157 1.00 61.20 H new ATOM 0 HB3 GLU A 32 -6.750 -3.993 -10.487 1.00 61.20 H new ATOM 0 HG2 GLU A 32 -7.497 -1.868 -10.609 1.00 42.00 H new ATOM 0 HG3 GLU A 32 -5.818 -1.423 -10.381 1.00 42.00 H new ATOM 344 N ALA A 33 -4.704 -4.647 -8.545 1.00 42.00 N ATOM 345 CA ALA A 33 -4.572 -4.665 -7.094 1.00 33.40 C ATOM 346 C ALA A 33 -3.117 -4.492 -6.673 1.00 61.00 C ATOM 347 O ALA A 33 -2.821 -3.817 -5.687 1.00 62.20 O ATOM 348 CB ALA A 33 -5.136 -5.960 -6.529 1.00 32.20 C ATOM 0 H ALA A 33 -4.988 -5.537 -8.954 1.00 42.00 H new ATOM 0 HA ALA A 33 -5.141 -3.827 -6.692 1.00 33.40 H new ATOM 0 HB1 ALA A 33 -5.031 -5.960 -5.444 1.00 32.20 H new ATOM 0 HB2 ALA A 33 -6.191 -6.042 -6.791 1.00 32.20 H new ATOM 0 HB3 ALA A 33 -4.591 -6.807 -6.946 1.00 32.20 H new ATOM 354 N LEU A 34 -2.211 -5.105 -7.428 1.00 32.20 N ATOM 355 CA LEU A 34 -0.785 -5.018 -7.133 1.00 42.40 C ATOM 356 C LEU A 34 -0.307 -3.570 -7.178 1.00 41.50 C ATOM 357 O LEU A 34 0.337 -3.090 -6.246 1.00 75.40 O ATOM 358 CB LEU A 34 0.015 -5.863 -8.127 1.00 4.33 C ATOM 359 CG LEU A 34 1.532 -5.812 -7.945 1.00 72.40 C ATOM 360 CD1 LEU A 34 1.919 -6.288 -6.553 1.00 23.30 C ATOM 361 CD2 LEU A 34 2.224 -6.652 -9.009 1.00 15.30 C ATOM 0 H LEU A 34 -2.439 -5.667 -8.248 1.00 32.20 H new ATOM 0 HA LEU A 34 -0.623 -5.403 -6.126 1.00 42.40 H new ATOM 0 HB2 LEU A 34 -0.311 -6.900 -8.044 1.00 4.33 H new ATOM 0 HB3 LEU A 34 -0.226 -5.533 -9.138 1.00 4.33 H new ATOM 0 HG LEU A 34 1.858 -4.778 -8.057 1.00 72.40 H new ATOM 0 HD11 LEU A 34 3.002 -6.245 -6.442 1.00 23.30 H new ATOM 0 HD12 LEU A 34 1.452 -5.646 -5.806 1.00 23.30 H new ATOM 0 HD13 LEU A 34 1.581 -7.315 -6.412 1.00 23.30 H new ATOM 0 HD21 LEU A 34 3.303 -6.605 -8.865 1.00 15.30 H new ATOM 0 HD22 LEU A 34 1.892 -7.687 -8.928 1.00 15.30 H new ATOM 0 HD23 LEU A 34 1.973 -6.267 -9.997 1.00 15.30 H new ATOM 373 N GLN A 35 -0.628 -2.880 -8.268 1.00 70.40 N ATOM 374 CA GLN A 35 -0.231 -1.487 -8.434 1.00 65.50 C ATOM 375 C GLN A 35 -0.832 -0.616 -7.336 1.00 42.10 C ATOM 376 O GLN A 35 -0.236 0.380 -6.924 1.00 63.40 O ATOM 377 CB GLN A 35 -0.668 -0.971 -9.807 1.00 12.00 C ATOM 378 CG GLN A 35 -0.082 -1.759 -10.960 1.00 2.11 C ATOM 379 CD GLN A 35 -0.376 -1.122 -12.310 1.00 74.20 C ATOM 380 OE1 GLN A 35 -1.405 -1.397 -12.920 1.00 31.20 O ATOM 381 NE2 GLN A 35 0.529 -0.266 -12.770 1.00 53.50 N ATOM 0 H GLN A 35 -1.161 -3.263 -9.049 1.00 70.40 H new ATOM 0 HA GLN A 35 0.855 -1.433 -8.362 1.00 65.50 H new ATOM 0 HB2 GLN A 35 -1.756 -1.004 -9.870 1.00 12.00 H new ATOM 0 HB3 GLN A 35 -0.374 0.074 -9.904 1.00 12.00 H new ATOM 0 HG2 GLN A 35 0.997 -1.842 -10.828 1.00 2.11 H new ATOM 0 HG3 GLN A 35 -0.484 -2.772 -10.945 1.00 2.11 H new ATOM 0 HE21 GLN A 35 1.369 -0.070 -12.225 1.00 53.50 H new ATOM 0 HE22 GLN A 35 0.384 0.196 -13.668 1.00 53.50 H new ATOM 390 N LEU A 36 -2.015 -0.997 -6.866 1.00 51.40 N ATOM 391 CA LEU A 36 -2.697 -0.251 -5.815 1.00 22.10 C ATOM 392 C LEU A 36 -2.028 -0.479 -4.464 1.00 10.40 C ATOM 393 O LEU A 36 -1.857 0.453 -3.679 1.00 55.50 O ATOM 394 CB LEU A 36 -4.170 -0.659 -5.744 1.00 71.10 C ATOM 395 CG LEU A 36 -5.004 -0.289 -6.971 1.00 74.10 C ATOM 396 CD1 LEU A 36 -6.227 -1.186 -7.075 1.00 23.30 C ATOM 397 CD2 LEU A 36 -5.417 1.174 -6.912 1.00 21.00 C ATOM 0 H LEU A 36 -2.522 -1.818 -7.196 1.00 51.40 H new ATOM 0 HA LEU A 36 -2.633 0.810 -6.057 1.00 22.10 H new ATOM 0 HB2 LEU A 36 -4.226 -1.738 -5.598 1.00 71.10 H new ATOM 0 HB3 LEU A 36 -4.618 -0.194 -4.866 1.00 71.10 H new ATOM 0 HG LEU A 36 -4.393 -0.438 -7.861 1.00 74.10 H new ATOM 0 HD11 LEU A 36 -6.808 -0.908 -7.954 1.00 23.30 H new ATOM 0 HD12 LEU A 36 -5.910 -2.225 -7.164 1.00 23.30 H new ATOM 0 HD13 LEU A 36 -6.841 -1.069 -6.182 1.00 23.30 H new ATOM 0 HD21 LEU A 36 -6.010 1.421 -7.793 1.00 21.00 H new ATOM 0 HD22 LEU A 36 -6.011 1.349 -6.015 1.00 21.00 H new ATOM 0 HD23 LEU A 36 -4.527 1.803 -6.886 1.00 21.00 H new ATOM 409 N TYR A 37 -1.651 -1.726 -4.199 1.00 25.30 N ATOM 410 CA TYR A 37 -1.000 -2.077 -2.942 1.00 42.40 C ATOM 411 C TYR A 37 0.308 -1.311 -2.774 1.00 61.30 C ATOM 412 O TYR A 37 0.686 -0.946 -1.661 1.00 64.00 O ATOM 413 CB TYR A 37 -0.734 -3.582 -2.885 1.00 3.23 C ATOM 414 CG TYR A 37 -1.989 -4.415 -2.749 1.00 44.00 C ATOM 415 CD1 TYR A 37 -2.937 -4.124 -1.776 1.00 43.40 C ATOM 416 CD2 TYR A 37 -2.225 -5.492 -3.594 1.00 74.20 C ATOM 417 CE1 TYR A 37 -4.085 -4.883 -1.649 1.00 70.00 C ATOM 418 CE2 TYR A 37 -3.371 -6.256 -3.473 1.00 64.00 C ATOM 419 CZ TYR A 37 -4.297 -5.947 -2.499 1.00 75.10 C ATOM 420 OH TYR A 37 -5.439 -6.705 -2.376 1.00 10.20 O ATOM 0 H TYR A 37 -1.785 -2.510 -4.838 1.00 25.30 H new ATOM 0 HA TYR A 37 -1.668 -1.802 -2.126 1.00 42.40 H new ATOM 0 HB2 TYR A 37 -0.204 -3.883 -3.789 1.00 3.23 H new ATOM 0 HB3 TYR A 37 -0.074 -3.794 -2.044 1.00 3.23 H new ATOM 0 HD1 TYR A 37 -2.774 -3.291 -1.108 1.00 43.40 H new ATOM 0 HD2 TYR A 37 -1.502 -5.737 -4.358 1.00 74.20 H new ATOM 0 HE1 TYR A 37 -4.812 -4.644 -0.887 1.00 70.00 H new ATOM 0 HE2 TYR A 37 -3.540 -7.090 -4.138 1.00 64.00 H new ATOM 0 HH TYR A 37 -6.101 -6.409 -3.035 1.00 10.20 H new ATOM 430 N GLN A 38 0.994 -1.071 -3.886 1.00 74.40 N ATOM 431 CA GLN A 38 2.260 -0.348 -3.862 1.00 5.45 C ATOM 432 C GLN A 38 2.035 1.135 -3.589 1.00 70.40 C ATOM 433 O GLN A 38 2.744 1.744 -2.789 1.00 41.40 O ATOM 434 CB GLN A 38 3.000 -0.528 -5.189 1.00 74.50 C ATOM 435 CG GLN A 38 3.456 -1.955 -5.443 1.00 21.10 C ATOM 436 CD GLN A 38 4.485 -2.049 -6.553 1.00 43.40 C ATOM 437 OE1 GLN A 38 5.499 -1.352 -6.536 1.00 22.40 O ATOM 438 NE2 GLN A 38 4.227 -2.914 -7.527 1.00 11.20 N ATOM 0 H GLN A 38 0.695 -1.367 -4.815 1.00 74.40 H new ATOM 0 HA GLN A 38 2.868 -0.759 -3.056 1.00 5.45 H new ATOM 0 HB2 GLN A 38 2.349 -0.213 -6.004 1.00 74.50 H new ATOM 0 HB3 GLN A 38 3.869 0.130 -5.203 1.00 74.50 H new ATOM 0 HG2 GLN A 38 3.878 -2.367 -4.526 1.00 21.10 H new ATOM 0 HG3 GLN A 38 2.592 -2.568 -5.700 1.00 21.10 H new ATOM 0 HE21 GLN A 38 3.374 -3.472 -7.501 1.00 11.20 H new ATOM 0 HE22 GLN A 38 4.882 -3.020 -8.301 1.00 11.20 H new ATOM 447 N HIS A 39 1.042 1.711 -4.260 1.00 62.30 N ATOM 448 CA HIS A 39 0.723 3.123 -4.090 1.00 71.20 C ATOM 449 C HIS A 39 0.340 3.424 -2.644 1.00 33.50 C ATOM 450 O HIS A 39 0.778 4.421 -2.070 1.00 31.10 O ATOM 451 CB HIS A 39 -0.418 3.526 -5.026 1.00 44.30 C ATOM 452 CG HIS A 39 0.041 3.899 -6.402 1.00 71.10 C ATOM 453 ND1 HIS A 39 -0.791 4.464 -7.346 1.00 23.00 N ATOM 454 CD2 HIS A 39 1.254 3.785 -6.993 1.00 55.50 C ATOM 455 CE1 HIS A 39 -0.110 4.680 -8.457 1.00 24.30 C ATOM 456 NE2 HIS A 39 1.133 4.277 -8.269 1.00 55.50 N ATOM 0 H HIS A 39 0.445 1.221 -4.926 1.00 62.30 H new ATOM 0 HA HIS A 39 1.611 3.703 -4.340 1.00 71.20 H new ATOM 0 HB2 HIS A 39 -1.126 2.700 -5.099 1.00 44.30 H new ATOM 0 HB3 HIS A 39 -0.955 4.369 -4.590 1.00 44.30 H new ATOM 0 HD2 HIS A 39 2.150 3.382 -6.544 1.00 55.50 H new ATOM 0 HE1 HIS A 39 -0.503 5.113 -9.365 1.00 24.30 H new ATOM 0 HE2 HIS A 39 1.882 4.324 -8.960 1.00 55.50 H new ATOM 465 N ALA A 40 -0.481 2.556 -2.062 1.00 44.40 N ATOM 466 CA ALA A 40 -0.923 2.729 -0.684 1.00 24.30 C ATOM 467 C ALA A 40 0.262 2.740 0.275 1.00 22.00 C ATOM 468 O ALA A 40 0.322 3.557 1.194 1.00 1.55 O ATOM 469 CB ALA A 40 -1.902 1.629 -0.302 1.00 52.40 C ATOM 0 H ALA A 40 -0.853 1.726 -2.523 1.00 44.40 H new ATOM 0 HA ALA A 40 -1.427 3.692 -0.609 1.00 24.30 H new ATOM 0 HB1 ALA A 40 -2.224 1.771 0.730 1.00 52.40 H new ATOM 0 HB2 ALA A 40 -2.769 1.669 -0.961 1.00 52.40 H new ATOM 0 HB3 ALA A 40 -1.415 0.659 -0.400 1.00 52.40 H new ATOM 475 N VAL A 41 1.204 1.828 0.055 1.00 11.10 N ATOM 476 CA VAL A 41 2.388 1.734 0.900 1.00 32.10 C ATOM 477 C VAL A 41 3.268 2.971 0.752 1.00 53.50 C ATOM 478 O VAL A 41 3.916 3.402 1.705 1.00 74.20 O ATOM 479 CB VAL A 41 3.220 0.481 0.564 1.00 21.40 C ATOM 480 CG1 VAL A 41 4.362 0.315 1.556 1.00 21.20 C ATOM 481 CG2 VAL A 41 2.339 -0.759 0.544 1.00 65.40 C ATOM 0 H VAL A 41 1.170 1.144 -0.701 1.00 11.10 H new ATOM 0 HA VAL A 41 2.038 1.662 1.930 1.00 32.10 H new ATOM 0 HB VAL A 41 3.648 0.610 -0.430 1.00 21.40 H new ATOM 0 HG11 VAL A 41 4.938 -0.575 1.302 1.00 21.20 H new ATOM 0 HG12 VAL A 41 5.010 1.191 1.515 1.00 21.20 H new ATOM 0 HG13 VAL A 41 3.957 0.210 2.563 1.00 21.20 H new ATOM 0 HG21 VAL A 41 2.946 -1.632 0.305 1.00 65.40 H new ATOM 0 HG22 VAL A 41 1.878 -0.894 1.523 1.00 65.40 H new ATOM 0 HG23 VAL A 41 1.561 -0.640 -0.210 1.00 65.40 H new ATOM 491 N GLN A 42 3.286 3.537 -0.451 1.00 14.10 N ATOM 492 CA GLN A 42 4.086 4.725 -0.724 1.00 50.20 C ATOM 493 C GLN A 42 3.546 5.931 0.036 1.00 2.21 C ATOM 494 O GLN A 42 4.303 6.668 0.669 1.00 61.00 O ATOM 495 CB GLN A 42 4.103 5.019 -2.225 1.00 70.10 C ATOM 496 CG GLN A 42 5.217 4.305 -2.973 1.00 54.30 C ATOM 497 CD GLN A 42 6.482 5.136 -3.065 1.00 54.40 C ATOM 498 OE1 GLN A 42 7.002 5.611 -2.056 1.00 60.40 O ATOM 499 NE2 GLN A 42 6.984 5.316 -4.282 1.00 53.40 N ATOM 0 H GLN A 42 2.756 3.192 -1.251 1.00 14.10 H new ATOM 0 HA GLN A 42 5.104 4.533 -0.387 1.00 50.20 H new ATOM 0 HB2 GLN A 42 3.144 4.728 -2.654 1.00 70.10 H new ATOM 0 HB3 GLN A 42 4.207 6.094 -2.375 1.00 70.10 H new ATOM 0 HG2 GLN A 42 5.441 3.363 -2.472 1.00 54.30 H new ATOM 0 HG3 GLN A 42 4.875 4.058 -3.978 1.00 54.30 H new ATOM 0 HE21 GLN A 42 6.520 4.904 -5.091 1.00 53.40 H new ATOM 0 HE22 GLN A 42 7.834 5.867 -4.407 1.00 53.40 H new ATOM 508 N TYR A 43 2.233 6.127 -0.030 1.00 23.40 N ATOM 509 CA TYR A 43 1.592 7.245 0.652 1.00 70.40 C ATOM 510 C TYR A 43 1.546 7.009 2.159 1.00 73.30 C ATOM 511 O TYR A 43 1.721 7.937 2.948 1.00 51.00 O ATOM 512 CB TYR A 43 0.176 7.454 0.114 1.00 4.25 C ATOM 513 CG TYR A 43 0.130 7.784 -1.361 1.00 24.40 C ATOM 514 CD1 TYR A 43 0.651 8.979 -1.841 1.00 10.10 C ATOM 515 CD2 TYR A 43 -0.433 6.900 -2.273 1.00 63.30 C ATOM 516 CE1 TYR A 43 0.612 9.284 -3.188 1.00 40.20 C ATOM 517 CE2 TYR A 43 -0.476 7.198 -3.622 1.00 63.40 C ATOM 518 CZ TYR A 43 0.047 8.391 -4.074 1.00 3.14 C ATOM 519 OH TYR A 43 0.006 8.691 -5.416 1.00 41.40 O ATOM 0 H TYR A 43 1.592 5.526 -0.549 1.00 23.40 H new ATOM 0 HA TYR A 43 2.182 8.141 0.460 1.00 70.40 H new ATOM 0 HB2 TYR A 43 -0.409 6.552 0.294 1.00 4.25 H new ATOM 0 HB3 TYR A 43 -0.301 8.259 0.673 1.00 4.25 H new ATOM 0 HD1 TYR A 43 1.094 9.681 -1.150 1.00 10.10 H new ATOM 0 HD2 TYR A 43 -0.844 5.965 -1.922 1.00 63.30 H new ATOM 0 HE1 TYR A 43 1.022 10.217 -3.545 1.00 40.20 H new ATOM 0 HE2 TYR A 43 -0.917 6.500 -4.318 1.00 63.40 H new ATOM 0 HH TYR A 43 -0.423 7.956 -5.902 1.00 41.40 H new ATOM 529 N PHE A 44 1.310 5.761 2.550 1.00 41.40 N ATOM 530 CA PHE A 44 1.241 5.402 3.961 1.00 2.30 C ATOM 531 C PHE A 44 2.560 5.705 4.665 1.00 75.00 C ATOM 532 O PHE A 44 2.594 6.438 5.653 1.00 65.10 O ATOM 533 CB PHE A 44 0.895 3.920 4.116 1.00 22.40 C ATOM 534 CG PHE A 44 -0.582 3.646 4.121 1.00 51.40 C ATOM 535 CD1 PHE A 44 -1.438 4.404 4.904 1.00 74.10 C ATOM 536 CD2 PHE A 44 -1.114 2.630 3.344 1.00 30.20 C ATOM 537 CE1 PHE A 44 -2.797 4.154 4.910 1.00 72.20 C ATOM 538 CE2 PHE A 44 -2.472 2.375 3.347 1.00 72.30 C ATOM 539 CZ PHE A 44 -3.315 3.138 4.131 1.00 11.40 C ATOM 0 H PHE A 44 1.163 4.981 1.909 1.00 41.40 H new ATOM 0 HA PHE A 44 0.457 6.001 4.424 1.00 2.30 H new ATOM 0 HB2 PHE A 44 1.357 3.360 3.303 1.00 22.40 H new ATOM 0 HB3 PHE A 44 1.328 3.549 5.045 1.00 22.40 H new ATOM 0 HD1 PHE A 44 -1.039 5.199 5.516 1.00 74.10 H new ATOM 0 HD2 PHE A 44 -0.460 2.030 2.729 1.00 30.20 H new ATOM 0 HE1 PHE A 44 -3.454 4.753 5.524 1.00 72.20 H new ATOM 0 HE2 PHE A 44 -2.874 1.580 2.737 1.00 72.30 H new ATOM 0 HZ PHE A 44 -4.377 2.941 4.135 1.00 11.40 H new ATOM 549 N LEU A 45 3.644 5.135 4.148 1.00 14.20 N ATOM 550 CA LEU A 45 4.966 5.344 4.727 1.00 41.50 C ATOM 551 C LEU A 45 5.350 6.819 4.688 1.00 4.41 C ATOM 552 O LEU A 45 6.067 7.308 5.562 1.00 4.24 O ATOM 553 CB LEU A 45 6.011 4.513 3.978 1.00 1.44 C ATOM 554 CG LEU A 45 5.804 2.999 4.046 1.00 4.34 C ATOM 555 CD1 LEU A 45 6.839 2.281 3.194 1.00 5.42 C ATOM 556 CD2 LEU A 45 5.869 2.517 5.487 1.00 30.40 C ATOM 0 H LEU A 45 3.633 4.526 3.330 1.00 14.20 H new ATOM 0 HA LEU A 45 4.934 5.023 5.768 1.00 41.50 H new ATOM 0 HB2 LEU A 45 6.013 4.817 2.931 1.00 1.44 H new ATOM 0 HB3 LEU A 45 6.996 4.748 4.380 1.00 1.44 H new ATOM 0 HG LEU A 45 4.815 2.768 3.651 1.00 4.34 H new ATOM 0 HD11 LEU A 45 6.677 1.205 3.254 1.00 5.42 H new ATOM 0 HD12 LEU A 45 6.745 2.605 2.157 1.00 5.42 H new ATOM 0 HD13 LEU A 45 7.838 2.518 3.559 1.00 5.42 H new ATOM 0 HD21 LEU A 45 5.720 1.438 5.517 1.00 30.40 H new ATOM 0 HD22 LEU A 45 6.844 2.760 5.908 1.00 30.40 H new ATOM 0 HD23 LEU A 45 5.089 3.007 6.070 1.00 30.40 H new ATOM 568 N HIS A 46 4.869 7.524 3.670 1.00 62.10 N ATOM 569 CA HIS A 46 5.162 8.945 3.517 1.00 54.50 C ATOM 570 C HIS A 46 4.654 9.737 4.717 1.00 20.40 C ATOM 571 O HIS A 46 5.299 10.684 5.167 1.00 24.30 O ATOM 572 CB HIS A 46 4.530 9.482 2.232 1.00 30.20 C ATOM 573 CG HIS A 46 4.845 10.921 1.967 1.00 3.44 C ATOM 574 ND1 HIS A 46 5.920 11.329 1.205 1.00 35.20 N ATOM 575 CD2 HIS A 46 4.218 12.054 2.366 1.00 60.40 C ATOM 576 CE1 HIS A 46 5.941 12.649 1.148 1.00 14.00 C ATOM 577 NE2 HIS A 46 4.919 13.112 1.844 1.00 61.30 N ATOM 0 H HIS A 46 4.274 7.135 2.938 1.00 62.10 H new ATOM 0 HA HIS A 46 6.244 9.063 3.458 1.00 54.50 H new ATOM 0 HB2 HIS A 46 4.874 8.882 1.389 1.00 30.20 H new ATOM 0 HB3 HIS A 46 3.448 9.360 2.290 1.00 30.20 H new ATOM 0 HD2 HIS A 46 3.332 12.113 2.980 1.00 60.40 H new ATOM 0 HE1 HIS A 46 6.670 13.247 0.622 1.00 14.00 H new ATOM 0 HE2 HIS A 46 4.688 14.097 1.973 1.00 61.30 H new ATOM 586 N VAL A 47 3.493 9.343 5.232 1.00 0.33 N ATOM 587 CA VAL A 47 2.899 10.016 6.380 1.00 0.05 C ATOM 588 C VAL A 47 3.638 9.666 7.666 1.00 64.10 C ATOM 589 O VAL A 47 3.919 10.537 8.490 1.00 20.40 O ATOM 590 CB VAL A 47 1.412 9.647 6.540 1.00 51.50 C ATOM 591 CG1 VAL A 47 0.760 10.506 7.612 1.00 24.20 C ATOM 592 CG2 VAL A 47 0.680 9.790 5.214 1.00 44.10 C ATOM 0 H VAL A 47 2.946 8.561 4.872 1.00 0.33 H new ATOM 0 HA VAL A 47 2.983 11.087 6.196 1.00 0.05 H new ATOM 0 HB VAL A 47 1.348 8.605 6.854 1.00 51.50 H new ATOM 0 HG11 VAL A 47 -0.290 10.230 7.710 1.00 24.20 H new ATOM 0 HG12 VAL A 47 1.267 10.348 8.564 1.00 24.20 H new ATOM 0 HG13 VAL A 47 0.835 11.557 7.332 1.00 24.20 H new ATOM 0 HG21 VAL A 47 -0.369 9.525 5.347 1.00 44.10 H new ATOM 0 HG22 VAL A 47 0.753 10.821 4.868 1.00 44.10 H new ATOM 0 HG23 VAL A 47 1.131 9.127 4.476 1.00 44.10 H new ATOM 602 N VAL A 48 3.952 8.385 7.832 1.00 43.40 N ATOM 603 CA VAL A 48 4.660 7.919 9.019 1.00 23.00 C ATOM 604 C VAL A 48 6.083 8.466 9.058 1.00 63.40 C ATOM 605 O VAL A 48 6.609 8.780 10.126 1.00 62.10 O ATOM 606 CB VAL A 48 4.711 6.380 9.076 1.00 10.10 C ATOM 607 CG1 VAL A 48 5.312 5.913 10.393 1.00 31.30 C ATOM 608 CG2 VAL A 48 3.322 5.790 8.878 1.00 64.10 C ATOM 0 H VAL A 48 3.727 7.651 7.160 1.00 43.40 H new ATOM 0 HA VAL A 48 4.107 8.288 9.883 1.00 23.00 H new ATOM 0 HB VAL A 48 5.349 6.027 8.266 1.00 10.10 H new ATOM 0 HG11 VAL A 48 5.340 4.824 10.414 1.00 31.30 H new ATOM 0 HG12 VAL A 48 6.325 6.304 10.489 1.00 31.30 H new ATOM 0 HG13 VAL A 48 4.703 6.277 11.220 1.00 31.30 H new ATOM 0 HG21 VAL A 48 3.379 4.702 8.922 1.00 64.10 H new ATOM 0 HG22 VAL A 48 2.658 6.150 9.664 1.00 64.10 H new ATOM 0 HG23 VAL A 48 2.933 6.094 7.906 1.00 64.10 H new ATOM 618 N LYS A 49 6.702 8.577 7.887 1.00 23.40 N ATOM 619 CA LYS A 49 8.065 9.085 7.787 1.00 30.20 C ATOM 620 C LYS A 49 8.099 10.595 8.001 1.00 53.30 C ATOM 621 O LYS A 49 8.971 11.114 8.697 1.00 24.00 O ATOM 622 CB LYS A 49 8.663 8.738 6.423 1.00 0.11 C ATOM 623 CG LYS A 49 10.182 8.752 6.403 1.00 3.13 C ATOM 624 CD LYS A 49 10.723 10.142 6.107 1.00 73.40 C ATOM 625 CE LYS A 49 11.084 10.298 4.639 1.00 40.50 C ATOM 626 NZ LYS A 49 12.519 9.996 4.385 1.00 24.30 N ATOM 0 H LYS A 49 6.281 8.322 6.994 1.00 23.40 H new ATOM 0 HA LYS A 49 8.661 8.611 8.567 1.00 30.20 H new ATOM 0 HB2 LYS A 49 8.313 7.750 6.123 1.00 0.11 H new ATOM 0 HB3 LYS A 49 8.292 9.446 5.682 1.00 0.11 H new ATOM 0 HG2 LYS A 49 10.563 8.410 7.365 1.00 3.13 H new ATOM 0 HG3 LYS A 49 10.543 8.052 5.650 1.00 3.13 H new ATOM 0 HD2 LYS A 49 9.978 10.889 6.381 1.00 73.40 H new ATOM 0 HD3 LYS A 49 11.604 10.329 6.721 1.00 73.40 H new ATOM 0 HE2 LYS A 49 10.462 9.634 4.040 1.00 40.50 H new ATOM 0 HE3 LYS A 49 10.865 11.316 4.318 1.00 40.50 H new ATOM 0 HZ1 LYS A 49 12.725 10.114 3.372 1.00 24.30 H new ATOM 0 HZ2 LYS A 49 13.114 10.646 4.937 1.00 24.30 H new ATOM 0 HZ3 LYS A 49 12.723 9.016 4.668 1.00 24.30 H new ATOM 640 N TYR A 50 7.143 11.295 7.397 1.00 25.30 N ATOM 641 CA TYR A 50 7.064 12.746 7.521 1.00 24.30 C ATOM 642 C TYR A 50 6.533 13.146 8.894 1.00 64.20 C ATOM 643 O TYR A 50 7.284 13.619 9.747 1.00 0.13 O ATOM 644 CB TYR A 50 6.167 13.324 6.426 1.00 30.10 C ATOM 645 CG TYR A 50 6.877 13.534 5.108 1.00 54.40 C ATOM 646 CD1 TYR A 50 7.477 12.471 4.443 1.00 52.20 C ATOM 647 CD2 TYR A 50 6.949 14.794 4.528 1.00 71.30 C ATOM 648 CE1 TYR A 50 8.128 12.659 3.239 1.00 64.50 C ATOM 649 CE2 TYR A 50 7.597 14.990 3.324 1.00 71.10 C ATOM 650 CZ TYR A 50 8.185 13.920 2.683 1.00 20.20 C ATOM 651 OH TYR A 50 8.832 14.111 1.484 1.00 12.00 O ATOM 0 H TYR A 50 6.413 10.881 6.817 1.00 25.30 H new ATOM 0 HA TYR A 50 8.070 13.151 7.408 1.00 24.30 H new ATOM 0 HB2 TYR A 50 5.321 12.655 6.270 1.00 30.10 H new ATOM 0 HB3 TYR A 50 5.761 14.277 6.766 1.00 30.10 H new ATOM 0 HD1 TYR A 50 7.434 11.482 4.875 1.00 52.20 H new ATOM 0 HD2 TYR A 50 6.490 15.635 5.027 1.00 71.30 H new ATOM 0 HE1 TYR A 50 8.590 11.823 2.736 1.00 64.50 H new ATOM 0 HE2 TYR A 50 7.643 15.976 2.887 1.00 71.10 H new ATOM 0 HH TYR A 50 8.780 15.056 1.231 1.00 12.00 H new ATOM 661 N GLU A 51 5.234 12.953 9.099 1.00 73.10 N ATOM 662 CA GLU A 51 4.603 13.294 10.369 1.00 1.42 C ATOM 663 C GLU A 51 3.270 12.569 10.526 1.00 72.00 C ATOM 664 O GLU A 51 2.240 13.027 10.032 1.00 43.30 O ATOM 665 CB GLU A 51 4.388 14.806 10.466 1.00 65.00 C ATOM 666 CG GLU A 51 3.745 15.409 9.228 1.00 71.50 C ATOM 667 CD GLU A 51 2.711 16.466 9.564 1.00 53.30 C ATOM 668 OE1 GLU A 51 1.912 16.239 10.498 1.00 4.25 O ATOM 669 OE2 GLU A 51 2.699 17.520 8.894 1.00 51.20 O ATOM 0 H GLU A 51 4.599 12.563 8.403 1.00 73.10 H new ATOM 0 HA GLU A 51 5.267 12.976 11.173 1.00 1.42 H new ATOM 0 HB2 GLU A 51 3.762 15.021 11.332 1.00 65.00 H new ATOM 0 HB3 GLU A 51 5.349 15.291 10.639 1.00 65.00 H new ATOM 0 HG2 GLU A 51 4.519 15.850 8.599 1.00 71.50 H new ATOM 0 HG3 GLU A 51 3.274 14.617 8.646 1.00 71.50 H new ATOM 676 N ALA A 52 3.298 11.434 11.217 1.00 23.10 N ATOM 677 CA ALA A 52 2.093 10.644 11.439 1.00 31.50 C ATOM 678 C ALA A 52 1.115 11.380 12.348 1.00 43.10 C ATOM 679 O ALA A 52 1.354 12.524 12.737 1.00 42.40 O ATOM 680 CB ALA A 52 2.451 9.290 12.032 1.00 75.20 C ATOM 0 H ALA A 52 4.142 11.041 11.633 1.00 23.10 H new ATOM 0 HA ALA A 52 1.607 10.489 10.476 1.00 31.50 H new ATOM 0 HB1 ALA A 52 1.541 8.711 12.192 1.00 75.20 H new ATOM 0 HB2 ALA A 52 3.106 8.754 11.345 1.00 75.20 H new ATOM 0 HB3 ALA A 52 2.962 9.433 12.984 1.00 75.20 H new ATOM 686 N GLN A 53 0.013 10.717 12.684 1.00 44.40 N ATOM 687 CA GLN A 53 -1.001 11.309 13.548 1.00 12.20 C ATOM 688 C GLN A 53 -0.644 11.115 15.018 1.00 61.40 C ATOM 689 O GLN A 53 -0.898 11.987 15.850 1.00 15.20 O ATOM 690 CB GLN A 53 -2.371 10.692 13.259 1.00 34.50 C ATOM 691 CG GLN A 53 -2.780 10.777 11.797 1.00 13.20 C ATOM 692 CD GLN A 53 -2.266 9.609 10.979 1.00 72.20 C ATOM 693 OE1 GLN A 53 -1.092 9.561 10.613 1.00 34.20 O ATOM 694 NE2 GLN A 53 -3.146 8.658 10.687 1.00 32.40 N ATOM 0 H GLN A 53 -0.200 9.770 12.371 1.00 44.40 H new ATOM 0 HA GLN A 53 -1.040 12.378 13.340 1.00 12.20 H new ATOM 0 HB2 GLN A 53 -2.361 9.646 13.565 1.00 34.50 H new ATOM 0 HB3 GLN A 53 -3.122 11.195 13.868 1.00 34.50 H new ATOM 0 HG2 GLN A 53 -3.867 10.813 11.729 1.00 13.20 H new ATOM 0 HG3 GLN A 53 -2.403 11.707 11.372 1.00 13.20 H new ATOM 0 HE21 GLN A 53 -4.110 8.738 11.011 1.00 32.40 H new ATOM 0 HE22 GLN A 53 -2.858 7.847 10.139 1.00 32.40 H new ATOM 703 N GLY A 54 -0.053 9.967 15.332 1.00 23.50 N ATOM 704 CA GLY A 54 0.329 9.679 16.702 1.00 72.20 C ATOM 705 C GLY A 54 0.977 8.317 16.850 1.00 74.10 C ATOM 706 O GLY A 54 1.203 7.619 15.862 1.00 60.10 O ATOM 0 H GLY A 54 0.168 9.231 14.662 1.00 23.50 H new ATOM 0 HA2 GLY A 54 1.020 10.446 17.052 1.00 72.20 H new ATOM 0 HA3 GLY A 54 -0.553 9.729 17.340 1.00 72.20 H new ATOM 710 N ASP A 55 1.275 7.937 18.088 1.00 61.10 N ATOM 711 CA ASP A 55 1.901 6.649 18.363 1.00 12.10 C ATOM 712 C ASP A 55 1.017 5.502 17.885 1.00 74.20 C ATOM 713 O ASP A 55 1.454 4.646 17.117 1.00 52.30 O ATOM 714 CB ASP A 55 2.182 6.503 19.860 1.00 51.30 C ATOM 715 CG ASP A 55 3.481 5.773 20.136 1.00 30.40 C ATOM 716 OD1 ASP A 55 4.556 6.355 19.879 1.00 10.50 O ATOM 717 OD2 ASP A 55 3.424 4.618 20.609 1.00 22.10 O ATOM 0 H ASP A 55 1.093 8.503 18.917 1.00 61.10 H new ATOM 0 HA ASP A 55 2.844 6.608 17.819 1.00 12.10 H new ATOM 0 HB2 ASP A 55 2.220 7.491 20.318 1.00 51.30 H new ATOM 0 HB3 ASP A 55 1.359 5.965 20.331 1.00 51.30 H new ATOM 722 N LYS A 56 -0.230 5.491 18.346 1.00 41.40 N ATOM 723 CA LYS A 56 -1.176 4.449 17.966 1.00 12.20 C ATOM 724 C LYS A 56 -1.432 4.468 16.462 1.00 14.20 C ATOM 725 O LYS A 56 -1.686 3.429 15.852 1.00 10.20 O ATOM 726 CB LYS A 56 -2.495 4.628 18.721 1.00 50.40 C ATOM 727 CG LYS A 56 -2.466 4.072 20.135 1.00 71.20 C ATOM 728 CD LYS A 56 -3.863 3.985 20.728 1.00 55.10 C ATOM 729 CE LYS A 56 -4.018 2.757 21.611 1.00 53.10 C ATOM 730 NZ LYS A 56 -3.201 2.858 22.851 1.00 72.30 N ATOM 0 H LYS A 56 -0.608 6.192 18.983 1.00 41.40 H new ATOM 0 HA LYS A 56 -0.741 3.485 18.231 1.00 12.20 H new ATOM 0 HB2 LYS A 56 -2.740 5.689 18.762 1.00 50.40 H new ATOM 0 HB3 LYS A 56 -3.293 4.138 18.163 1.00 50.40 H new ATOM 0 HG2 LYS A 56 -2.010 3.082 20.129 1.00 71.20 H new ATOM 0 HG3 LYS A 56 -1.841 4.706 20.764 1.00 71.20 H new ATOM 0 HD2 LYS A 56 -4.068 4.882 21.312 1.00 55.10 H new ATOM 0 HD3 LYS A 56 -4.599 3.952 19.925 1.00 55.10 H new ATOM 0 HE2 LYS A 56 -5.068 2.631 21.877 1.00 53.10 H new ATOM 0 HE3 LYS A 56 -3.722 1.869 21.053 1.00 53.10 H new ATOM 0 HZ1 LYS A 56 -3.335 2.001 23.425 1.00 72.30 H new ATOM 0 HZ2 LYS A 56 -2.197 2.952 22.598 1.00 72.30 H new ATOM 0 HZ3 LYS A 56 -3.500 3.691 23.397 1.00 72.30 H new ATOM 744 N ALA A 57 -1.362 5.656 15.870 1.00 74.50 N ATOM 745 CA ALA A 57 -1.585 5.810 14.438 1.00 71.40 C ATOM 746 C ALA A 57 -0.437 5.207 13.635 1.00 22.10 C ATOM 747 O ALA A 57 -0.657 4.517 12.640 1.00 75.20 O ATOM 748 CB ALA A 57 -1.762 7.279 14.087 1.00 33.10 C ATOM 0 H ALA A 57 -1.153 6.526 16.360 1.00 74.50 H new ATOM 0 HA ALA A 57 -2.497 5.273 14.178 1.00 71.40 H new ATOM 0 HB1 ALA A 57 -1.928 7.379 13.014 1.00 33.10 H new ATOM 0 HB2 ALA A 57 -2.620 7.681 14.626 1.00 33.10 H new ATOM 0 HB3 ALA A 57 -0.865 7.831 14.369 1.00 33.10 H new ATOM 754 N LYS A 58 0.789 5.473 14.075 1.00 52.40 N ATOM 755 CA LYS A 58 1.972 4.957 13.397 1.00 13.20 C ATOM 756 C LYS A 58 1.966 3.432 13.377 1.00 52.30 C ATOM 757 O LYS A 58 2.188 2.814 12.336 1.00 74.30 O ATOM 758 CB LYS A 58 3.241 5.465 14.084 1.00 60.10 C ATOM 759 CG LYS A 58 3.419 6.972 13.995 1.00 4.52 C ATOM 760 CD LYS A 58 4.231 7.506 15.164 1.00 70.00 C ATOM 761 CE LYS A 58 4.217 9.026 15.203 1.00 34.30 C ATOM 762 NZ LYS A 58 5.413 9.610 14.537 1.00 75.00 N ATOM 0 H LYS A 58 0.989 6.042 14.897 1.00 52.40 H new ATOM 0 HA LYS A 58 1.956 5.316 12.368 1.00 13.20 H new ATOM 0 HB2 LYS A 58 3.218 5.171 15.133 1.00 60.10 H new ATOM 0 HB3 LYS A 58 4.107 4.978 13.635 1.00 60.10 H new ATOM 0 HG2 LYS A 58 3.916 7.226 13.059 1.00 4.52 H new ATOM 0 HG3 LYS A 58 2.442 7.455 13.978 1.00 4.52 H new ATOM 0 HD2 LYS A 58 3.829 7.113 16.098 1.00 70.00 H new ATOM 0 HD3 LYS A 58 5.259 7.152 15.086 1.00 70.00 H new ATOM 0 HE2 LYS A 58 3.314 9.393 14.715 1.00 34.30 H new ATOM 0 HE3 LYS A 58 4.178 9.362 16.239 1.00 34.30 H new ATOM 0 HZ1 LYS A 58 5.365 10.648 14.585 1.00 75.00 H new ATOM 0 HZ2 LYS A 58 6.274 9.280 15.018 1.00 75.00 H new ATOM 0 HZ3 LYS A 58 5.437 9.311 13.541 1.00 75.00 H new ATOM 776 N GLN A 59 1.712 2.831 14.535 1.00 45.50 N ATOM 777 CA GLN A 59 1.677 1.378 14.651 1.00 43.30 C ATOM 778 C GLN A 59 0.604 0.786 13.743 1.00 14.20 C ATOM 779 O GLN A 59 0.760 -0.317 13.218 1.00 64.30 O ATOM 780 CB GLN A 59 1.417 0.967 16.101 1.00 3.02 C ATOM 781 CG GLN A 59 0.140 1.552 16.680 1.00 2.12 C ATOM 782 CD GLN A 59 -0.159 1.036 18.074 1.00 62.50 C ATOM 783 OE1 GLN A 59 -1.075 0.238 18.270 1.00 2.54 O ATOM 784 NE2 GLN A 59 0.616 1.491 19.052 1.00 31.20 N ATOM 0 H GLN A 59 1.527 3.328 15.406 1.00 45.50 H new ATOM 0 HA GLN A 59 2.647 0.990 14.339 1.00 43.30 H new ATOM 0 HB2 GLN A 59 1.367 -0.120 16.158 1.00 3.02 H new ATOM 0 HB3 GLN A 59 2.261 1.280 16.715 1.00 3.02 H new ATOM 0 HG2 GLN A 59 0.223 2.638 16.709 1.00 2.12 H new ATOM 0 HG3 GLN A 59 -0.695 1.314 16.022 1.00 2.12 H new ATOM 0 HE21 GLN A 59 1.364 2.152 18.844 1.00 31.20 H new ATOM 0 HE22 GLN A 59 0.463 1.179 20.011 1.00 31.20 H new ATOM 793 N SER A 60 -0.486 1.525 13.562 1.00 61.30 N ATOM 794 CA SER A 60 -1.585 1.073 12.717 1.00 20.40 C ATOM 795 C SER A 60 -1.138 0.948 11.264 1.00 2.11 C ATOM 796 O SER A 60 -1.440 -0.040 10.594 1.00 30.10 O ATOM 797 CB SER A 60 -2.765 2.041 12.819 1.00 62.30 C ATOM 798 OG SER A 60 -3.678 1.628 13.820 1.00 32.40 O ATOM 0 H SER A 60 -0.632 2.440 13.989 1.00 61.30 H new ATOM 0 HA SER A 60 -1.899 0.090 13.067 1.00 20.40 H new ATOM 0 HB2 SER A 60 -2.399 3.042 13.047 1.00 62.30 H new ATOM 0 HB3 SER A 60 -3.276 2.099 11.858 1.00 62.30 H new ATOM 0 HG SER A 60 -4.422 2.264 13.867 1.00 32.40 H new ATOM 804 N ILE A 61 -0.417 1.955 10.783 1.00 70.10 N ATOM 805 CA ILE A 61 0.072 1.958 9.410 1.00 43.50 C ATOM 806 C ILE A 61 1.199 0.947 9.226 1.00 21.40 C ATOM 807 O ILE A 61 1.334 0.339 8.164 1.00 63.00 O ATOM 808 CB ILE A 61 0.576 3.353 8.995 1.00 13.30 C ATOM 809 CG1 ILE A 61 -0.467 4.419 9.335 1.00 21.30 C ATOM 810 CG2 ILE A 61 0.902 3.379 7.509 1.00 24.40 C ATOM 811 CD1 ILE A 61 -0.038 5.823 8.968 1.00 45.10 C ATOM 0 H ILE A 61 -0.158 2.780 11.324 1.00 70.10 H new ATOM 0 HA ILE A 61 -0.769 1.681 8.775 1.00 43.50 H new ATOM 0 HB ILE A 61 1.487 3.573 9.551 1.00 13.30 H new ATOM 0 HG12 ILE A 61 -1.397 4.185 8.816 1.00 21.30 H new ATOM 0 HG13 ILE A 61 -0.679 4.380 10.403 1.00 21.30 H new ATOM 0 HG21 ILE A 61 1.257 4.372 7.232 1.00 24.40 H new ATOM 0 HG22 ILE A 61 1.677 2.643 7.294 1.00 24.40 H new ATOM 0 HG23 ILE A 61 0.006 3.141 6.936 1.00 24.40 H new ATOM 0 HD11 ILE A 61 -0.826 6.526 9.237 1.00 45.10 H new ATOM 0 HD12 ILE A 61 0.875 6.077 9.507 1.00 45.10 H new ATOM 0 HD13 ILE A 61 0.146 5.878 7.895 1.00 45.10 H new ATOM 823 N ARG A 62 2.005 0.772 10.267 1.00 43.30 N ATOM 824 CA ARG A 62 3.121 -0.166 10.221 1.00 32.20 C ATOM 825 C ARG A 62 2.627 -1.586 9.960 1.00 44.50 C ATOM 826 O ARG A 62 3.222 -2.326 9.177 1.00 12.40 O ATOM 827 CB ARG A 62 3.908 -0.121 11.531 1.00 33.10 C ATOM 828 CG ARG A 62 4.861 1.059 11.628 1.00 33.40 C ATOM 829 CD ARG A 62 5.298 1.307 13.063 1.00 73.10 C ATOM 830 NE ARG A 62 6.598 0.705 13.350 1.00 62.00 N ATOM 831 CZ ARG A 62 7.759 1.229 12.962 1.00 11.20 C ATOM 832 NH1 ARG A 62 7.786 2.361 12.271 1.00 63.10 N ATOM 833 NH2 ARG A 62 8.896 0.617 13.266 1.00 42.20 N ATOM 0 H ARG A 62 1.907 1.267 11.153 1.00 43.30 H new ATOM 0 HA ARG A 62 3.777 0.129 9.402 1.00 32.20 H new ATOM 0 HB2 ARG A 62 3.207 -0.081 12.365 1.00 33.10 H new ATOM 0 HB3 ARG A 62 4.476 -1.045 11.636 1.00 33.10 H new ATOM 0 HG2 ARG A 62 5.737 0.872 11.007 1.00 33.40 H new ATOM 0 HG3 ARG A 62 4.376 1.953 11.235 1.00 33.40 H new ATOM 0 HD2 ARG A 62 5.347 2.380 13.247 1.00 73.10 H new ATOM 0 HD3 ARG A 62 4.551 0.900 13.745 1.00 73.10 H new ATOM 0 HE ARG A 62 6.617 -0.167 13.878 1.00 62.00 H new ATOM 0 HH11 ARG A 62 6.914 2.835 12.034 1.00 63.10 H new ATOM 0 HH12 ARG A 62 8.678 2.758 11.977 1.00 63.10 H new ATOM 0 HH21 ARG A 62 8.880 -0.254 13.796 1.00 42.20 H new ATOM 0 HH22 ARG A 62 9.786 1.017 12.969 1.00 42.20 H new ATOM 847 N ALA A 63 1.536 -1.958 10.620 1.00 24.20 N ATOM 848 CA ALA A 63 0.962 -3.288 10.459 1.00 24.40 C ATOM 849 C ALA A 63 0.324 -3.448 9.084 1.00 30.30 C ATOM 850 O ALA A 63 0.381 -4.521 8.483 1.00 25.30 O ATOM 851 CB ALA A 63 -0.062 -3.556 11.552 1.00 22.30 C ATOM 0 H ALA A 63 1.031 -1.357 11.272 1.00 24.20 H new ATOM 0 HA ALA A 63 1.768 -4.017 10.544 1.00 24.40 H new ATOM 0 HB1 ALA A 63 -0.483 -4.553 11.420 1.00 22.30 H new ATOM 0 HB2 ALA A 63 0.421 -3.493 12.527 1.00 22.30 H new ATOM 0 HB3 ALA A 63 -0.859 -2.815 11.493 1.00 22.30 H new ATOM 857 N LYS A 64 -0.284 -2.374 8.591 1.00 31.40 N ATOM 858 CA LYS A 64 -0.933 -2.395 7.285 1.00 52.00 C ATOM 859 C LYS A 64 0.099 -2.349 6.163 1.00 24.10 C ATOM 860 O LYS A 64 -0.043 -3.029 5.147 1.00 70.20 O ATOM 861 CB LYS A 64 -1.899 -1.216 7.154 1.00 44.40 C ATOM 862 CG LYS A 64 -3.086 -1.293 8.101 1.00 54.40 C ATOM 863 CD LYS A 64 -4.343 -0.719 7.467 1.00 11.40 C ATOM 864 CE LYS A 64 -4.297 0.799 7.418 1.00 15.10 C ATOM 865 NZ LYS A 64 -5.367 1.359 6.546 1.00 21.30 N ATOM 0 H LYS A 64 -0.341 -1.478 9.076 1.00 31.40 H new ATOM 0 HA LYS A 64 -1.493 -3.326 7.200 1.00 52.00 H new ATOM 0 HB2 LYS A 64 -1.356 -0.290 7.340 1.00 44.40 H new ATOM 0 HB3 LYS A 64 -2.266 -1.170 6.129 1.00 44.40 H new ATOM 0 HG2 LYS A 64 -3.261 -2.331 8.383 1.00 54.40 H new ATOM 0 HG3 LYS A 64 -2.858 -0.748 9.017 1.00 54.40 H new ATOM 0 HD2 LYS A 64 -4.456 -1.114 6.457 1.00 11.40 H new ATOM 0 HD3 LYS A 64 -5.217 -1.040 8.034 1.00 11.40 H new ATOM 0 HE2 LYS A 64 -4.405 1.198 8.427 1.00 15.10 H new ATOM 0 HE3 LYS A 64 -3.323 1.121 7.050 1.00 15.10 H new ATOM 0 HZ1 LYS A 64 -4.935 1.906 5.774 1.00 21.30 H new ATOM 0 HZ2 LYS A 64 -5.931 0.582 6.146 1.00 21.30 H new ATOM 0 HZ3 LYS A 64 -5.983 1.981 7.108 1.00 21.30 H new ATOM 879 N CYS A 65 1.138 -1.542 6.355 1.00 21.30 N ATOM 880 CA CYS A 65 2.194 -1.407 5.359 1.00 61.10 C ATOM 881 C CYS A 65 2.918 -2.733 5.150 1.00 44.30 C ATOM 882 O CYS A 65 3.399 -3.023 4.055 1.00 2.35 O ATOM 883 CB CYS A 65 3.193 -0.330 5.788 1.00 72.50 C ATOM 884 SG CYS A 65 2.789 1.329 5.194 1.00 21.00 S ATOM 0 H CYS A 65 1.271 -0.972 7.191 1.00 21.30 H new ATOM 0 HA CYS A 65 1.734 -1.112 4.416 1.00 61.10 H new ATOM 0 HB2 CYS A 65 3.246 -0.312 6.877 1.00 72.50 H new ATOM 0 HB3 CYS A 65 4.184 -0.603 5.425 1.00 72.50 H new ATOM 0 HG CYS A 65 2.157 1.242 4.061 1.00 21.00 H new ATOM 890 N THR A 66 2.990 -3.535 6.208 1.00 41.40 N ATOM 891 CA THR A 66 3.655 -4.832 6.140 1.00 32.00 C ATOM 892 C THR A 66 2.729 -5.887 5.543 1.00 51.30 C ATOM 893 O THR A 66 3.182 -6.820 4.879 1.00 30.40 O ATOM 894 CB THR A 66 4.112 -5.267 7.533 1.00 64.30 C ATOM 895 OG1 THR A 66 4.806 -6.500 7.470 1.00 22.10 O ATOM 896 CG2 THR A 66 2.970 -5.433 8.513 1.00 74.30 C ATOM 0 H THR A 66 2.596 -3.310 7.122 1.00 41.40 H new ATOM 0 HA THR A 66 4.527 -4.732 5.494 1.00 32.00 H new ATOM 0 HB THR A 66 4.760 -4.466 7.888 1.00 64.30 H new ATOM 0 HG1 THR A 66 5.092 -6.761 8.370 1.00 22.10 H new ATOM 0 HG21 THR A 66 3.363 -5.743 9.481 1.00 74.30 H new ATOM 0 HG22 THR A 66 2.443 -4.485 8.622 1.00 74.30 H new ATOM 0 HG23 THR A 66 2.280 -6.191 8.143 1.00 74.30 H new ATOM 904 N GLU A 67 1.431 -5.732 5.782 1.00 73.40 N ATOM 905 CA GLU A 67 0.442 -6.672 5.268 1.00 35.30 C ATOM 906 C GLU A 67 0.252 -6.493 3.765 1.00 12.20 C ATOM 907 O GLU A 67 0.257 -7.464 3.008 1.00 13.20 O ATOM 908 CB GLU A 67 -0.894 -6.484 5.988 1.00 20.30 C ATOM 909 CG GLU A 67 -1.972 -7.455 5.534 1.00 63.00 C ATOM 910 CD GLU A 67 -3.117 -7.558 6.523 1.00 14.40 C ATOM 911 OE1 GLU A 67 -3.384 -6.563 7.229 1.00 75.30 O ATOM 912 OE2 GLU A 67 -3.747 -8.635 6.590 1.00 44.50 O ATOM 0 H GLU A 67 1.040 -4.965 6.328 1.00 73.40 H new ATOM 0 HA GLU A 67 0.807 -7.682 5.453 1.00 35.30 H new ATOM 0 HB2 GLU A 67 -0.739 -6.602 7.060 1.00 20.30 H new ATOM 0 HB3 GLU A 67 -1.244 -5.464 5.827 1.00 20.30 H new ATOM 0 HG2 GLU A 67 -2.360 -7.136 4.567 1.00 63.00 H new ATOM 0 HG3 GLU A 67 -1.531 -8.441 5.391 1.00 63.00 H new ATOM 919 N TYR A 68 0.084 -5.245 3.339 1.00 74.00 N ATOM 920 CA TYR A 68 -0.108 -4.939 1.927 1.00 30.30 C ATOM 921 C TYR A 68 1.151 -5.256 1.125 1.00 45.40 C ATOM 922 O TYR A 68 1.075 -5.764 0.007 1.00 10.10 O ATOM 923 CB TYR A 68 -0.483 -3.467 1.749 1.00 30.30 C ATOM 924 CG TYR A 68 -1.810 -3.099 2.374 1.00 32.40 C ATOM 925 CD1 TYR A 68 -2.939 -3.882 2.163 1.00 11.30 C ATOM 926 CD2 TYR A 68 -1.934 -1.970 3.174 1.00 2.12 C ATOM 927 CE1 TYR A 68 -4.153 -3.549 2.732 1.00 73.10 C ATOM 928 CE2 TYR A 68 -3.145 -1.631 3.747 1.00 55.40 C ATOM 929 CZ TYR A 68 -4.251 -2.424 3.523 1.00 61.00 C ATOM 930 OH TYR A 68 -5.459 -2.089 4.091 1.00 20.00 O ATOM 0 H TYR A 68 0.077 -4.430 3.952 1.00 74.00 H new ATOM 0 HA TYR A 68 -0.921 -5.562 1.554 1.00 30.30 H new ATOM 0 HB2 TYR A 68 0.299 -2.846 2.186 1.00 30.30 H new ATOM 0 HB3 TYR A 68 -0.516 -3.236 0.684 1.00 30.30 H new ATOM 0 HD1 TYR A 68 -2.866 -4.764 1.545 1.00 11.30 H new ATOM 0 HD2 TYR A 68 -1.070 -1.347 3.351 1.00 2.12 H new ATOM 0 HE1 TYR A 68 -5.021 -4.167 2.558 1.00 73.10 H new ATOM 0 HE2 TYR A 68 -3.225 -0.750 4.367 1.00 55.40 H new ATOM 0 HH TYR A 68 -5.472 -2.379 5.027 1.00 20.00 H new ATOM 940 N LEU A 69 2.307 -4.952 1.705 1.00 70.20 N ATOM 941 CA LEU A 69 3.583 -5.204 1.045 1.00 10.40 C ATOM 942 C LEU A 69 3.832 -6.701 0.897 1.00 12.10 C ATOM 943 O LEU A 69 4.464 -7.144 -0.062 1.00 1.43 O ATOM 944 CB LEU A 69 4.725 -4.561 1.834 1.00 13.00 C ATOM 945 CG LEU A 69 5.011 -3.099 1.484 1.00 2.33 C ATOM 946 CD1 LEU A 69 6.057 -2.520 2.424 1.00 61.30 C ATOM 947 CD2 LEU A 69 5.466 -2.978 0.038 1.00 10.00 C ATOM 0 H LEU A 69 2.387 -4.531 2.631 1.00 70.20 H new ATOM 0 HA LEU A 69 3.543 -4.760 0.050 1.00 10.40 H new ATOM 0 HB2 LEU A 69 4.493 -4.626 2.897 1.00 13.00 H new ATOM 0 HB3 LEU A 69 5.632 -5.142 1.670 1.00 13.00 H new ATOM 0 HG LEU A 69 4.090 -2.529 1.604 1.00 2.33 H new ATOM 0 HD11 LEU A 69 6.248 -1.480 2.160 1.00 61.30 H new ATOM 0 HD12 LEU A 69 5.693 -2.573 3.450 1.00 61.30 H new ATOM 0 HD13 LEU A 69 6.981 -3.092 2.337 1.00 61.30 H new ATOM 0 HD21 LEU A 69 5.665 -1.932 -0.194 1.00 10.00 H new ATOM 0 HD22 LEU A 69 6.375 -3.561 -0.107 1.00 10.00 H new ATOM 0 HD23 LEU A 69 4.684 -3.354 -0.622 1.00 10.00 H new ATOM 959 N ASP A 70 3.331 -7.477 1.853 1.00 14.10 N ATOM 960 CA ASP A 70 3.499 -8.925 1.829 1.00 52.20 C ATOM 961 C ASP A 70 2.775 -9.537 0.634 1.00 14.40 C ATOM 962 O ASP A 70 3.371 -10.260 -0.157 1.00 42.20 O ATOM 963 CB ASP A 70 2.976 -9.542 3.127 1.00 50.10 C ATOM 964 CG ASP A 70 3.344 -11.000 3.260 1.00 5.34 C ATOM 965 OD1 ASP A 70 2.657 -11.840 2.646 1.00 12.50 O ATOM 966 OD2 ASP A 70 4.319 -11.310 3.979 1.00 75.10 O ATOM 0 H ASP A 70 2.805 -7.127 2.654 1.00 14.10 H new ATOM 0 HA ASP A 70 4.563 -9.140 1.736 1.00 52.20 H new ATOM 0 HB2 ASP A 70 3.378 -8.990 3.976 1.00 50.10 H new ATOM 0 HB3 ASP A 70 1.892 -9.439 3.164 1.00 50.10 H new ATOM 971 N ARG A 71 1.487 -9.233 0.510 1.00 31.30 N ATOM 972 CA ARG A 71 0.682 -9.753 -0.589 1.00 70.40 C ATOM 973 C ARG A 71 1.160 -9.196 -1.926 1.00 71.30 C ATOM 974 O ARG A 71 1.306 -9.933 -2.901 1.00 13.40 O ATOM 975 CB ARG A 71 -0.793 -9.407 -0.377 1.00 0.22 C ATOM 976 CG ARG A 71 -1.060 -7.913 -0.289 1.00 72.30 C ATOM 977 CD ARG A 71 -2.460 -7.627 0.229 1.00 15.40 C ATOM 978 NE ARG A 71 -3.473 -8.422 -0.461 1.00 71.10 N ATOM 979 CZ ARG A 71 -4.700 -8.630 0.009 1.00 74.40 C ATOM 980 NH1 ARG A 71 -5.071 -8.104 1.171 1.00 64.10 N ATOM 981 NH2 ARG A 71 -5.560 -9.365 -0.683 1.00 54.00 N ATOM 0 H ARG A 71 0.979 -8.630 1.157 1.00 31.30 H new ATOM 0 HA ARG A 71 0.795 -10.837 -0.607 1.00 70.40 H new ATOM 0 HB2 ARG A 71 -1.377 -9.825 -1.197 1.00 0.22 H new ATOM 0 HB3 ARG A 71 -1.142 -9.885 0.538 1.00 0.22 H new ATOM 0 HG2 ARG A 71 -0.326 -7.449 0.369 1.00 72.30 H new ATOM 0 HG3 ARG A 71 -0.936 -7.462 -1.273 1.00 72.30 H new ATOM 0 HD2 ARG A 71 -2.501 -7.837 1.298 1.00 15.40 H new ATOM 0 HD3 ARG A 71 -2.683 -6.568 0.103 1.00 15.40 H new ATOM 0 HE ARG A 71 -3.225 -8.843 -1.356 1.00 71.10 H new ATOM 0 HH11 ARG A 71 -4.414 -7.538 1.707 1.00 64.10 H new ATOM 0 HH12 ARG A 71 -6.013 -8.267 1.527 1.00 64.10 H new ATOM 0 HH21 ARG A 71 -5.281 -9.771 -1.576 1.00 54.00 H new ATOM 0 HH22 ARG A 71 -6.501 -9.524 -0.322 1.00 54.00 H new ATOM 995 N ALA A 72 1.402 -7.889 -1.964 1.00 12.40 N ATOM 996 CA ALA A 72 1.864 -7.233 -3.181 1.00 4.24 C ATOM 997 C ALA A 72 3.208 -7.795 -3.631 1.00 11.30 C ATOM 998 O ALA A 72 3.439 -7.998 -4.823 1.00 61.40 O ATOM 999 CB ALA A 72 1.963 -5.731 -2.964 1.00 3.53 C ATOM 0 H ALA A 72 1.286 -7.264 -1.166 1.00 12.40 H new ATOM 0 HA ALA A 72 1.137 -7.428 -3.969 1.00 4.24 H new ATOM 0 HB1 ALA A 72 2.309 -5.253 -3.880 1.00 3.53 H new ATOM 0 HB2 ALA A 72 0.983 -5.337 -2.697 1.00 3.53 H new ATOM 0 HB3 ALA A 72 2.668 -5.525 -2.159 1.00 3.53 H new ATOM 1005 N GLU A 73 4.092 -8.043 -2.670 1.00 21.00 N ATOM 1006 CA GLU A 73 5.414 -8.581 -2.969 1.00 64.30 C ATOM 1007 C GLU A 73 5.306 -9.937 -3.659 1.00 44.40 C ATOM 1008 O GLU A 73 6.031 -10.210 -4.613 1.00 55.10 O ATOM 1009 CB GLU A 73 6.235 -8.713 -1.685 1.00 33.40 C ATOM 1010 CG GLU A 73 7.029 -7.464 -1.339 1.00 35.10 C ATOM 1011 CD GLU A 73 8.499 -7.592 -1.688 1.00 14.10 C ATOM 1012 OE1 GLU A 73 9.217 -8.322 -0.974 1.00 71.40 O ATOM 1013 OE2 GLU A 73 8.931 -6.961 -2.676 1.00 33.00 O ATOM 0 H GLU A 73 3.917 -7.880 -1.678 1.00 21.00 H new ATOM 0 HA GLU A 73 5.917 -7.889 -3.645 1.00 64.30 H new ATOM 0 HB2 GLU A 73 5.565 -8.948 -0.858 1.00 33.40 H new ATOM 0 HB3 GLU A 73 6.922 -9.553 -1.788 1.00 33.40 H new ATOM 0 HG2 GLU A 73 6.606 -6.611 -1.870 1.00 35.10 H new ATOM 0 HG3 GLU A 73 6.929 -7.258 -0.273 1.00 35.10 H new ATOM 1020 N LYS A 74 4.396 -10.770 -3.170 1.00 61.50 N ATOM 1021 CA LYS A 74 4.193 -12.100 -3.740 1.00 45.00 C ATOM 1022 C LYS A 74 3.539 -12.000 -5.115 1.00 72.00 C ATOM 1023 O LYS A 74 3.906 -12.730 -6.039 1.00 13.30 O ATOM 1024 CB LYS A 74 3.328 -12.950 -2.808 1.00 72.20 C ATOM 1025 CG LYS A 74 3.422 -14.440 -3.086 1.00 25.00 C ATOM 1026 CD LYS A 74 3.306 -15.250 -1.807 1.00 70.30 C ATOM 1027 CE LYS A 74 2.809 -16.660 -2.085 1.00 15.40 C ATOM 1028 NZ LYS A 74 3.114 -17.590 -0.963 1.00 52.00 N ATOM 0 H LYS A 74 3.787 -10.551 -2.382 1.00 61.50 H new ATOM 0 HA LYS A 74 5.166 -12.578 -3.852 1.00 45.00 H new ATOM 0 HB2 LYS A 74 3.626 -12.761 -1.776 1.00 72.20 H new ATOM 0 HB3 LYS A 74 2.289 -12.636 -2.903 1.00 72.20 H new ATOM 0 HG2 LYS A 74 2.632 -14.733 -3.777 1.00 25.00 H new ATOM 0 HG3 LYS A 74 4.371 -14.662 -3.574 1.00 25.00 H new ATOM 0 HD2 LYS A 74 4.277 -15.296 -1.314 1.00 70.30 H new ATOM 0 HD3 LYS A 74 2.623 -14.751 -1.119 1.00 70.30 H new ATOM 0 HE2 LYS A 74 1.733 -16.638 -2.255 1.00 15.40 H new ATOM 0 HE3 LYS A 74 3.269 -17.033 -3.000 1.00 15.40 H new ATOM 0 HZ1 LYS A 74 2.758 -18.540 -1.193 1.00 52.00 H new ATOM 0 HZ2 LYS A 74 4.143 -17.631 -0.816 1.00 52.00 H new ATOM 0 HZ3 LYS A 74 2.654 -17.249 -0.095 1.00 52.00 H new ATOM 1042 N LEU A 75 2.568 -11.100 -5.244 1.00 11.40 N ATOM 1043 CA LEU A 75 1.863 -10.920 -6.507 1.00 12.30 C ATOM 1044 C LEU A 75 2.834 -10.530 -7.618 1.00 30.10 C ATOM 1045 O LEU A 75 2.855 -11.150 -8.681 1.00 15.20 O ATOM 1046 CB LEU A 75 0.782 -9.847 -6.356 1.00 42.50 C ATOM 1047 CG LEU A 75 -0.639 -10.380 -6.170 1.00 31.40 C ATOM 1048 CD1 LEU A 75 -0.937 -10.600 -4.695 1.00 44.10 C ATOM 1049 CD2 LEU A 75 -1.652 -9.427 -6.784 1.00 52.20 C ATOM 0 H LEU A 75 2.253 -10.487 -4.492 1.00 11.40 H new ATOM 0 HA LEU A 75 1.393 -11.866 -6.776 1.00 12.30 H new ATOM 0 HB2 LEU A 75 1.033 -9.219 -5.501 1.00 42.50 H new ATOM 0 HB3 LEU A 75 0.801 -9.207 -7.238 1.00 42.50 H new ATOM 0 HG LEU A 75 -0.716 -11.339 -6.683 1.00 31.40 H new ATOM 0 HD11 LEU A 75 -1.953 -10.979 -4.582 1.00 44.10 H new ATOM 0 HD12 LEU A 75 -0.232 -11.323 -4.285 1.00 44.10 H new ATOM 0 HD13 LEU A 75 -0.841 -9.655 -4.160 1.00 44.10 H new ATOM 0 HD21 LEU A 75 -2.657 -9.823 -6.642 1.00 52.20 H new ATOM 0 HD22 LEU A 75 -1.574 -8.453 -6.301 1.00 52.20 H new ATOM 0 HD23 LEU A 75 -1.452 -9.320 -7.850 1.00 52.20 H new ATOM 1061 N LYS A 76 3.638 -9.508 -7.365 1.00 32.40 N ATOM 1062 CA LYS A 76 4.613 -9.042 -8.343 1.00 41.10 C ATOM 1063 C LYS A 76 5.641 -10.120 -8.644 1.00 14.30 C ATOM 1064 O LYS A 76 6.208 -10.170 -9.735 1.00 33.40 O ATOM 1065 CB LYS A 76 5.318 -7.784 -7.833 1.00 75.40 C ATOM 1066 CG LYS A 76 6.087 -7.999 -6.539 1.00 40.10 C ATOM 1067 CD LYS A 76 6.661 -6.696 -6.009 1.00 62.00 C ATOM 1068 CE LYS A 76 8.043 -6.899 -5.409 1.00 31.30 C ATOM 1069 NZ LYS A 76 8.612 -5.629 -4.881 1.00 31.10 N ATOM 0 H LYS A 76 3.635 -8.984 -6.490 1.00 32.40 H new ATOM 0 HA LYS A 76 4.078 -8.806 -9.263 1.00 41.10 H new ATOM 0 HB2 LYS A 76 6.006 -7.427 -8.600 1.00 75.40 H new ATOM 0 HB3 LYS A 76 4.577 -6.999 -7.679 1.00 75.40 H new ATOM 0 HG2 LYS A 76 5.427 -8.438 -5.791 1.00 40.10 H new ATOM 0 HG3 LYS A 76 6.895 -8.711 -6.709 1.00 40.10 H new ATOM 0 HD2 LYS A 76 6.718 -5.967 -6.817 1.00 62.00 H new ATOM 0 HD3 LYS A 76 5.992 -6.283 -5.254 1.00 62.00 H new ATOM 0 HE2 LYS A 76 7.985 -7.633 -4.605 1.00 31.30 H new ATOM 0 HE3 LYS A 76 8.711 -7.308 -6.167 1.00 31.30 H new ATOM 0 HZ1 LYS A 76 9.455 -5.370 -5.433 1.00 31.10 H new ATOM 0 HZ2 LYS A 76 7.903 -4.872 -4.958 1.00 31.10 H new ATOM 0 HZ3 LYS A 76 8.877 -5.756 -3.883 1.00 31.10 H new ATOM 1083 N GLU A 77 5.875 -11.000 -7.668 1.00 44.00 N ATOM 1084 CA GLU A 77 6.835 -12.080 -7.826 1.00 13.30 C ATOM 1085 C GLU A 77 6.466 -12.970 -9.010 1.00 63.10 C ATOM 1086 O GLU A 77 7.281 -13.200 -9.904 1.00 12.10 O ATOM 1087 CB GLU A 77 6.904 -12.920 -6.548 1.00 2.44 C ATOM 1088 CG GLU A 77 8.281 -13.500 -6.276 1.00 32.10 C ATOM 1089 CD GLU A 77 9.202 -12.520 -5.580 1.00 24.10 C ATOM 1090 OE1 GLU A 77 9.527 -11.480 -6.187 1.00 21.20 O ATOM 1091 OE2 GLU A 77 9.599 -12.790 -4.427 1.00 64.50 O ATOM 0 H GLU A 77 5.409 -10.981 -6.761 1.00 44.00 H new ATOM 0 HA GLU A 77 7.812 -11.637 -8.017 1.00 13.30 H new ATOM 0 HB2 GLU A 77 6.605 -12.303 -5.701 1.00 2.44 H new ATOM 0 HB3 GLU A 77 6.183 -13.735 -6.619 1.00 2.44 H new ATOM 0 HG2 GLU A 77 8.179 -14.395 -5.662 1.00 32.10 H new ATOM 0 HG3 GLU A 77 8.733 -13.810 -7.218 1.00 32.10 H new ATOM 1098 N TYR A 78 5.234 -13.470 -9.010 1.00 1.03 N ATOM 1099 CA TYR A 78 4.764 -14.340 -10.080 1.00 74.20 C ATOM 1100 C TYR A 78 4.321 -13.510 -11.290 1.00 72.10 C ATOM 1101 O TYR A 78 4.523 -13.920 -12.440 1.00 24.40 O ATOM 1102 CB TYR A 78 3.617 -15.230 -9.593 1.00 74.40 C ATOM 1103 CG TYR A 78 2.258 -14.560 -9.592 1.00 42.30 C ATOM 1104 CD1 TYR A 78 1.533 -14.410 -10.760 1.00 12.40 C ATOM 1105 CD2 TYR A 78 1.700 -14.080 -8.414 1.00 73.20 C ATOM 1106 CE1 TYR A 78 0.292 -13.810 -10.770 1.00 23.10 C ATOM 1107 CE2 TYR A 78 0.459 -13.470 -8.409 1.00 13.00 C ATOM 1108 CZ TYR A 78 -0.241 -13.340 -9.590 1.00 41.40 C ATOM 1109 OH TYR A 78 -1.477 -12.730 -9.589 1.00 40.00 O ATOM 0 H TYR A 78 4.544 -13.287 -8.281 1.00 1.03 H new ATOM 0 HA TYR A 78 5.590 -14.983 -10.384 1.00 74.20 H new ATOM 0 HB2 TYR A 78 3.570 -16.118 -10.224 1.00 74.40 H new ATOM 0 HB3 TYR A 78 3.841 -15.569 -8.582 1.00 74.40 H new ATOM 0 HD1 TYR A 78 1.950 -14.772 -11.688 1.00 12.40 H new ATOM 0 HD2 TYR A 78 2.244 -14.185 -7.487 1.00 73.20 H new ATOM 0 HE1 TYR A 78 -0.257 -13.709 -11.694 1.00 23.10 H new ATOM 0 HE2 TYR A 78 0.040 -13.098 -7.486 1.00 13.00 H new ATOM 0 HH TYR A 78 -1.973 -12.997 -8.787 1.00 40.00 H new ATOM 1119 N LEU A 79 3.717 -12.360 -11.020 1.00 12.40 N ATOM 1120 CA LEU A 79 3.246 -11.480 -12.090 1.00 75.40 C ATOM 1121 C LEU A 79 4.402 -11.040 -12.980 1.00 61.10 C ATOM 1122 O LEU A 79 4.232 -10.840 -14.180 1.00 43.00 O ATOM 1123 CB LEU A 79 2.542 -10.260 -11.500 1.00 13.10 C ATOM 1124 CG LEU A 79 1.076 -10.480 -11.120 1.00 62.50 C ATOM 1125 CD1 LEU A 79 0.592 -9.372 -10.200 1.00 41.10 C ATOM 1126 CD2 LEU A 79 0.211 -10.550 -12.370 1.00 2.43 C ATOM 0 H LEU A 79 3.541 -12.013 -10.077 1.00 12.40 H new ATOM 0 HA LEU A 79 2.536 -12.037 -12.701 1.00 75.40 H new ATOM 0 HB2 LEU A 79 3.087 -9.938 -10.613 1.00 13.10 H new ATOM 0 HB3 LEU A 79 2.596 -9.444 -12.221 1.00 13.10 H new ATOM 0 HG LEU A 79 0.995 -11.428 -10.588 1.00 62.50 H new ATOM 0 HD11 LEU A 79 -0.452 -9.545 -9.940 1.00 41.10 H new ATOM 0 HD12 LEU A 79 1.195 -9.363 -9.292 1.00 41.10 H new ATOM 0 HD13 LEU A 79 0.686 -8.411 -10.707 1.00 41.10 H new ATOM 0 HD21 LEU A 79 -0.829 -10.707 -12.084 1.00 2.43 H new ATOM 0 HD22 LEU A 79 0.298 -9.616 -12.925 1.00 2.43 H new ATOM 0 HD23 LEU A 79 0.544 -11.377 -12.997 1.00 2.43 H new ATOM 1138 N LYS A 80 5.578 -10.880 -12.380 1.00 52.00 N ATOM 1139 CA LYS A 80 6.763 -10.460 -13.120 1.00 14.30 C ATOM 1140 C LYS A 80 7.472 -11.660 -13.740 1.00 65.30 C ATOM 1141 O LYS A 80 8.083 -11.550 -14.800 1.00 73.10 O ATOM 1142 CB LYS A 80 7.723 -9.712 -12.190 1.00 52.40 C ATOM 1143 CG LYS A 80 8.682 -8.793 -12.930 1.00 65.20 C ATOM 1144 CD LYS A 80 8.171 -7.362 -12.960 1.00 45.50 C ATOM 1145 CE LYS A 80 8.984 -6.499 -13.910 1.00 55.20 C ATOM 1146 NZ LYS A 80 10.040 -5.729 -13.200 1.00 32.10 N ATOM 0 H LYS A 80 5.735 -11.035 -11.384 1.00 52.00 H new ATOM 0 HA LYS A 80 6.446 -9.795 -13.923 1.00 14.30 H new ATOM 0 HB2 LYS A 80 7.144 -9.124 -11.478 1.00 52.40 H new ATOM 0 HB3 LYS A 80 8.297 -10.437 -11.613 1.00 52.40 H new ATOM 0 HG2 LYS A 80 9.659 -8.821 -12.448 1.00 65.20 H new ATOM 0 HG3 LYS A 80 8.819 -9.153 -13.950 1.00 65.20 H new ATOM 0 HD2 LYS A 80 7.125 -7.355 -13.266 1.00 45.50 H new ATOM 0 HD3 LYS A 80 8.213 -6.939 -11.956 1.00 45.50 H new ATOM 0 HE2 LYS A 80 9.445 -7.131 -14.669 1.00 55.20 H new ATOM 0 HE3 LYS A 80 8.320 -5.809 -14.430 1.00 55.20 H new ATOM 0 HZ1 LYS A 80 10.570 -5.154 -13.885 1.00 32.10 H new ATOM 0 HZ2 LYS A 80 9.600 -5.106 -12.493 1.00 32.10 H new ATOM 0 HZ3 LYS A 80 10.689 -6.388 -12.724 1.00 32.10 H new ATOM 1160 N ASN A 81 7.387 -12.800 -13.070 1.00 53.10 N ATOM 1161 CA ASN A 81 8.021 -14.020 -13.560 1.00 13.40 C ATOM 1162 C ASN A 81 7.274 -14.580 -14.770 1.00 62.00 C ATOM 1163 O ASN A 81 7.884 -15.090 -15.700 1.00 73.00 O ATOM 1164 CB ASN A 81 8.073 -15.070 -12.450 1.00 21.40 C ATOM 1165 CG ASN A 81 9.351 -14.990 -11.640 1.00 30.30 C ATOM 1166 OD1 ASN A 81 9.336 -14.600 -10.470 1.00 41.10 O ATOM 1167 ND2 ASN A 81 10.467 -15.370 -12.250 1.00 44.10 N ATOM 0 H ASN A 81 6.887 -12.908 -12.188 1.00 53.10 H new ATOM 0 HA ASN A 81 9.037 -13.772 -13.868 1.00 13.40 H new ATOM 0 HB2 ASN A 81 7.217 -14.938 -11.788 1.00 21.40 H new ATOM 0 HB3 ASN A 81 7.986 -16.064 -12.889 1.00 21.40 H new ATOM 0 HD21 ASN A 81 11.355 -15.346 -11.749 1.00 44.10 H new ATOM 0 HD22 ASN A 81 10.436 -15.686 -13.219 1.00 44.10 H new