USER MOD reduce.3.24.130724 H: found=0, std=0, add=1085, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1084 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 Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 13 LYS NZ :NH3+ -155:sc= -0.0607 (180deg=-0.376) USER MOD Single : A 15 THR OG1 : rot -71:sc= 1.26 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0.189 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0.378 K(o=0.38,f=-5.1!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -149:sc= 1.22 (180deg=0.884) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -150:sc= 0.00653 USER MOD Single : A 44 GLN : amide:sc= -0.512 K(o=-0.51,f=-1.2) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -162:sc= 0.789 (180deg=0.571) USER MOD Single : A 60 THR OG1 : rot -160:sc= -0.0422 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 40:sc= 0.177 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 133:sc= 1.25 USER MOD Single : A 77 HIS : no HD1:sc= -0.231 X(o=-0.23,f=-0.0074) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0104 USER MOD Single : A 81 ASN : amide:sc= 0.312 X(o=0.31,f=-0.078) USER MOD Single : A 85 HIS : no HD1:sc=-0.00763 X(o=-0.0076,f=0) USER MOD Single : A 86 LYS NZ :NH3+ -137:sc= 0.231 (180deg=-0.22) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 167:sc= 2.4 (180deg=1.75) USER MOD Single : A 111 TYR OH : rot 180:sc= -0.191 USER MOD Single : A 113 THR OG1 : rot -173:sc= -0.678 USER MOD Single : A 115 CYS SG : rot 156:sc= 0.63 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= -0.498 K(o=-0.5,f=-6.6!) USER MOD Single : A 120 TYR OH : rot -145:sc= 1.12 USER MOD Single : A 121 ASN : amide:sc= 1.64 K(o=1.6,f=-4.9!) USER MOD Single : A 127 ASN : amide:sc= 0.0433 K(o=0.043,f=-1.9!) USER MOD Single : A 132 THR OG1 : rot -100:sc= 0 USER MOD Single : A 134 GLN : amide:sc= -0.0447 K(o=-0.045,f=-0.71) USER MOD Single : A 137 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 140 ASN : amide:sc= -1.62 K(o=-1.6,f=-4.2) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 HIS : no HD1:sc=-0.00257 X(o=-0.0026,f=0) USER MOD ----------------------------------------------------------------- ATOM 33 N GLU A 4 22.495 4.687 -5.653 1.00 42.43 N ATOM 34 CA GLU A 4 21.056 4.791 -5.487 1.00 22.12 C ATOM 35 C GLU A 4 20.620 4.294 -4.101 1.00 72.32 C ATOM 36 O GLU A 4 21.441 3.899 -3.271 1.00 42.24 O ATOM 37 CB GLU A 4 20.389 4.076 -6.667 1.00 22.34 C ATOM 38 CG GLU A 4 20.687 4.798 -7.992 1.00 52.32 C ATOM 39 CD GLU A 4 21.831 4.248 -8.844 1.00 64.40 C ATOM 40 OE1 GLU A 4 22.725 3.519 -8.352 1.00 30.12 O ATOM 41 OE2 GLU A 4 21.834 4.567 -10.054 1.00 74.12 O ATOM 0 HA GLU A 4 20.728 5.830 -5.509 1.00 22.12 H new ATOM 0 HB2 GLU A 4 20.746 3.047 -6.722 1.00 22.34 H new ATOM 0 HB3 GLU A 4 19.312 4.032 -6.508 1.00 22.34 H new ATOM 0 HG2 GLU A 4 19.779 4.785 -8.596 1.00 52.32 H new ATOM 0 HG3 GLU A 4 20.905 5.842 -7.767 1.00 52.32 H new ATOM 48 N GLU A 5 19.335 4.407 -3.780 1.00 5.31 N ATOM 49 CA GLU A 5 18.738 3.960 -2.531 1.00 74.33 C ATOM 50 C GLU A 5 18.446 2.456 -2.649 1.00 42.20 C ATOM 51 O GLU A 5 18.217 1.939 -3.744 1.00 25.35 O ATOM 52 CB GLU A 5 17.509 4.855 -2.296 1.00 54.42 C ATOM 53 CG GLU A 5 16.862 4.720 -0.915 1.00 1.34 C ATOM 54 CD GLU A 5 17.690 5.282 0.255 1.00 3.13 C ATOM 55 OE1 GLU A 5 18.831 5.768 0.084 1.00 45.04 O ATOM 56 OE2 GLU A 5 17.213 5.202 1.410 1.00 24.32 O ATOM 0 H GLU A 5 18.655 4.831 -4.411 1.00 5.31 H new ATOM 0 HA GLU A 5 19.383 4.060 -1.658 1.00 74.33 H new ATOM 0 HB2 GLU A 5 17.802 5.894 -2.443 1.00 54.42 H new ATOM 0 HB3 GLU A 5 16.761 4.625 -3.055 1.00 54.42 H new ATOM 0 HG2 GLU A 5 15.897 5.227 -0.933 1.00 1.34 H new ATOM 0 HG3 GLU A 5 16.665 3.665 -0.726 1.00 1.34 H new ATOM 63 N ASP A 6 18.512 1.734 -1.532 1.00 43.12 N ATOM 64 CA ASP A 6 18.560 0.274 -1.511 1.00 14.02 C ATOM 65 C ASP A 6 17.153 -0.331 -1.600 1.00 63.13 C ATOM 66 O ASP A 6 16.165 0.397 -1.654 1.00 64.52 O ATOM 67 CB ASP A 6 19.258 -0.154 -0.217 1.00 4.11 C ATOM 68 CG ASP A 6 19.672 -1.614 -0.264 1.00 61.11 C ATOM 69 OD1 ASP A 6 20.473 -1.975 -1.157 1.00 53.40 O ATOM 70 OD2 ASP A 6 19.098 -2.382 0.538 1.00 33.21 O ATOM 0 H ASP A 6 18.534 2.153 -0.602 1.00 43.12 H new ATOM 0 HA ASP A 6 19.113 -0.091 -2.376 1.00 14.02 H new ATOM 0 HB2 ASP A 6 20.137 0.469 -0.053 1.00 4.11 H new ATOM 0 HB3 ASP A 6 18.590 0.009 0.629 1.00 4.11 H new ATOM 75 N PHE A 7 17.022 -1.661 -1.575 1.00 54.24 N ATOM 76 CA PHE A 7 15.744 -2.359 -1.467 1.00 30.45 C ATOM 77 C PHE A 7 15.383 -2.723 -0.021 1.00 31.21 C ATOM 78 O PHE A 7 14.199 -2.870 0.283 1.00 65.50 O ATOM 79 CB PHE A 7 15.751 -3.613 -2.348 1.00 5.14 C ATOM 80 CG PHE A 7 16.745 -4.690 -1.952 1.00 62.11 C ATOM 81 CD1 PHE A 7 16.491 -5.545 -0.860 1.00 65.14 C ATOM 82 CD2 PHE A 7 17.911 -4.870 -2.713 1.00 22.42 C ATOM 83 CE1 PHE A 7 17.419 -6.538 -0.512 1.00 70.22 C ATOM 84 CE2 PHE A 7 18.815 -5.895 -2.396 1.00 63.22 C ATOM 85 CZ PHE A 7 18.575 -6.716 -1.286 1.00 51.43 C ATOM 0 H PHE A 7 17.821 -2.293 -1.631 1.00 54.24 H new ATOM 0 HA PHE A 7 14.975 -1.670 -1.817 1.00 30.45 H new ATOM 0 HB2 PHE A 7 14.751 -4.046 -2.339 1.00 5.14 H new ATOM 0 HB3 PHE A 7 15.959 -3.312 -3.375 1.00 5.14 H new ATOM 0 HD1 PHE A 7 15.580 -5.435 -0.290 1.00 65.14 H new ATOM 0 HD2 PHE A 7 18.113 -4.215 -3.548 1.00 22.42 H new ATOM 0 HE1 PHE A 7 17.244 -7.164 0.350 1.00 70.22 H new ATOM 0 HE2 PHE A 7 19.693 -6.051 -3.005 1.00 63.22 H new ATOM 0 HZ PHE A 7 19.283 -7.489 -1.026 1.00 51.43 H new ATOM 95 N LYS A 8 16.361 -2.870 0.875 1.00 21.21 N ATOM 96 CA LYS A 8 16.157 -3.200 2.283 1.00 1.02 C ATOM 97 C LYS A 8 16.283 -1.929 3.103 1.00 63.42 C ATOM 98 O LYS A 8 15.389 -1.609 3.882 1.00 61.33 O ATOM 99 CB LYS A 8 17.187 -4.257 2.713 1.00 3.12 C ATOM 100 CG LYS A 8 17.219 -4.474 4.237 1.00 45.44 C ATOM 101 CD LYS A 8 18.228 -5.559 4.623 1.00 30.42 C ATOM 102 CE LYS A 8 19.662 -5.040 4.479 1.00 63.21 C ATOM 103 NZ LYS A 8 20.653 -6.128 4.467 1.00 62.31 N ATOM 0 H LYS A 8 17.345 -2.759 0.632 1.00 21.21 H new ATOM 0 HA LYS A 8 15.163 -3.618 2.443 1.00 1.02 H new ATOM 0 HB2 LYS A 8 16.958 -5.202 2.221 1.00 3.12 H new ATOM 0 HB3 LYS A 8 18.177 -3.952 2.373 1.00 3.12 H new ATOM 0 HG2 LYS A 8 17.479 -3.539 4.734 1.00 45.44 H new ATOM 0 HG3 LYS A 8 16.226 -4.756 4.587 1.00 45.44 H new ATOM 0 HD2 LYS A 8 18.052 -5.877 5.651 1.00 30.42 H new ATOM 0 HD3 LYS A 8 18.088 -6.435 3.990 1.00 30.42 H new ATOM 0 HE2 LYS A 8 19.747 -4.465 3.557 1.00 63.21 H new ATOM 0 HE3 LYS A 8 19.884 -4.359 5.301 1.00 63.21 H new ATOM 0 HZ1 LYS A 8 21.607 -5.727 4.368 1.00 62.31 H new ATOM 0 HZ2 LYS A 8 20.593 -6.662 5.357 1.00 62.31 H new ATOM 0 HZ3 LYS A 8 20.460 -6.764 3.667 1.00 62.31 H new ATOM 117 N THR A 9 17.390 -1.210 2.951 1.00 51.31 N ATOM 118 CA THR A 9 17.651 -0.044 3.780 1.00 25.51 C ATOM 119 C THR A 9 16.593 1.050 3.550 1.00 74.53 C ATOM 120 O THR A 9 16.233 1.738 4.508 1.00 52.04 O ATOM 121 CB THR A 9 19.107 0.380 3.545 1.00 11.32 C ATOM 122 OG1 THR A 9 19.954 -0.680 3.959 1.00 3.42 O ATOM 123 CG2 THR A 9 19.511 1.665 4.263 1.00 21.24 C ATOM 0 H THR A 9 18.116 -1.414 2.265 1.00 51.31 H new ATOM 0 HA THR A 9 17.551 -0.269 4.842 1.00 25.51 H new ATOM 0 HB THR A 9 19.208 0.591 2.480 1.00 11.32 H new ATOM 0 HG1 THR A 9 20.890 -0.427 3.814 1.00 3.42 H new ATOM 0 HG21 THR A 9 20.554 1.892 4.043 1.00 21.24 H new ATOM 0 HG22 THR A 9 18.881 2.486 3.921 1.00 21.24 H new ATOM 0 HG23 THR A 9 19.387 1.536 5.338 1.00 21.24 H new ATOM 131 N PHE A 10 16.000 1.168 2.346 1.00 25.44 N ATOM 132 CA PHE A 10 14.960 2.176 2.125 1.00 34.31 C ATOM 133 C PHE A 10 13.739 1.774 2.962 1.00 24.54 C ATOM 134 O PHE A 10 13.077 2.631 3.540 1.00 53.44 O ATOM 135 CB PHE A 10 14.541 2.301 0.642 1.00 64.51 C ATOM 136 CG PHE A 10 13.287 1.542 0.214 1.00 41.22 C ATOM 137 CD1 PHE A 10 12.019 2.149 0.345 1.00 54.24 C ATOM 138 CD2 PHE A 10 13.361 0.210 -0.219 1.00 32.21 C ATOM 139 CE1 PHE A 10 10.849 1.427 0.040 1.00 34.25 C ATOM 140 CE2 PHE A 10 12.197 -0.497 -0.566 1.00 11.23 C ATOM 141 CZ PHE A 10 10.942 0.116 -0.451 1.00 74.21 C ATOM 0 H PHE A 10 16.220 0.591 1.534 1.00 25.44 H new ATOM 0 HA PHE A 10 15.359 3.147 2.418 1.00 34.31 H new ATOM 0 HB2 PHE A 10 14.391 3.357 0.419 1.00 64.51 H new ATOM 0 HB3 PHE A 10 15.372 1.960 0.024 1.00 64.51 H new ATOM 0 HD1 PHE A 10 11.946 3.173 0.681 1.00 54.24 H new ATOM 0 HD2 PHE A 10 14.322 -0.277 -0.286 1.00 32.21 H new ATOM 0 HE1 PHE A 10 9.880 1.882 0.184 1.00 34.25 H new ATOM 0 HE2 PHE A 10 12.270 -1.514 -0.922 1.00 11.23 H new ATOM 0 HZ PHE A 10 10.049 -0.419 -0.739 1.00 74.21 H new ATOM 151 N LEU A 11 13.461 0.464 3.021 1.00 12.43 N ATOM 152 CA LEU A 11 12.306 -0.155 3.645 1.00 30.33 C ATOM 153 C LEU A 11 12.262 0.246 5.122 1.00 51.33 C ATOM 154 O LEU A 11 11.248 0.751 5.600 1.00 2.52 O ATOM 155 CB LEU A 11 12.367 -1.678 3.452 1.00 5.22 C ATOM 156 CG LEU A 11 10.988 -2.330 3.291 1.00 63.14 C ATOM 157 CD1 LEU A 11 9.917 -1.758 4.211 1.00 34.44 C ATOM 158 CD2 LEU A 11 10.451 -2.282 1.859 1.00 5.31 C ATOM 0 H LEU A 11 14.084 -0.228 2.604 1.00 12.43 H new ATOM 0 HA LEU A 11 11.384 0.191 3.178 1.00 30.33 H new ATOM 0 HB2 LEU A 11 12.970 -1.901 2.572 1.00 5.22 H new ATOM 0 HB3 LEU A 11 12.874 -2.125 4.307 1.00 5.22 H new ATOM 0 HG LEU A 11 11.181 -3.365 3.573 1.00 63.14 H new ATOM 0 HD11 LEU A 11 8.973 -2.273 4.034 1.00 34.44 H new ATOM 0 HD12 LEU A 11 10.217 -1.897 5.250 1.00 34.44 H new ATOM 0 HD13 LEU A 11 9.794 -0.694 4.008 1.00 34.44 H new ATOM 0 HD21 LEU A 11 9.473 -2.761 1.821 1.00 5.31 H new ATOM 0 HD22 LEU A 11 10.359 -1.244 1.539 1.00 5.31 H new ATOM 0 HD23 LEU A 11 11.138 -2.807 1.195 1.00 5.31 H new ATOM 170 N GLN A 12 13.390 0.102 5.825 1.00 1.23 N ATOM 171 CA GLN A 12 13.527 0.495 7.227 1.00 74.13 C ATOM 172 C GLN A 12 13.035 1.929 7.439 1.00 2.43 C ATOM 173 O GLN A 12 12.219 2.187 8.317 1.00 1.22 O ATOM 174 CB GLN A 12 14.991 0.395 7.675 1.00 54.41 C ATOM 175 CG GLN A 12 15.583 -1.017 7.643 1.00 71.54 C ATOM 176 CD GLN A 12 17.032 -0.965 8.116 1.00 5.41 C ATOM 177 OE1 GLN A 12 17.967 -0.917 7.313 1.00 11.45 O ATOM 178 NE2 GLN A 12 17.256 -0.916 9.419 1.00 71.23 N ATOM 0 H GLN A 12 14.242 -0.296 5.430 1.00 1.23 H new ATOM 0 HA GLN A 12 12.919 -0.185 7.823 1.00 74.13 H new ATOM 0 HB2 GLN A 12 15.595 1.040 7.037 1.00 54.41 H new ATOM 0 HB3 GLN A 12 15.072 0.784 8.690 1.00 54.41 H new ATOM 0 HG2 GLN A 12 15.003 -1.682 8.283 1.00 71.54 H new ATOM 0 HG3 GLN A 12 15.532 -1.423 6.633 1.00 71.54 H new ATOM 0 HE21 GLN A 12 16.474 -0.957 10.073 1.00 71.23 H new ATOM 0 HE22 GLN A 12 18.211 -0.838 9.770 1.00 71.23 H new ATOM 187 N LYS A 13 13.517 2.863 6.618 1.00 3.55 N ATOM 188 CA LYS A 13 13.198 4.285 6.734 1.00 73.11 C ATOM 189 C LYS A 13 11.743 4.536 6.379 1.00 41.22 C ATOM 190 O LYS A 13 11.041 5.246 7.090 1.00 32.23 O ATOM 191 CB LYS A 13 14.119 5.090 5.814 1.00 54.01 C ATOM 192 CG LYS A 13 15.572 4.886 6.239 1.00 42.21 C ATOM 193 CD LYS A 13 16.538 5.708 5.387 1.00 73.42 C ATOM 194 CE LYS A 13 17.817 5.919 6.195 1.00 30.40 C ATOM 195 NZ LYS A 13 17.615 6.926 7.257 1.00 51.34 N ATOM 0 H LYS A 13 14.147 2.650 5.845 1.00 3.55 H new ATOM 0 HA LYS A 13 13.354 4.602 7.765 1.00 73.11 H new ATOM 0 HB2 LYS A 13 13.984 4.773 4.780 1.00 54.01 H new ATOM 0 HB3 LYS A 13 13.861 6.148 5.860 1.00 54.01 H new ATOM 0 HG2 LYS A 13 15.686 5.164 7.287 1.00 42.21 H new ATOM 0 HG3 LYS A 13 15.828 3.829 6.160 1.00 42.21 H new ATOM 0 HD2 LYS A 13 16.758 5.190 4.453 1.00 73.42 H new ATOM 0 HD3 LYS A 13 16.092 6.667 5.122 1.00 73.42 H new ATOM 0 HE2 LYS A 13 18.130 4.974 6.640 1.00 30.40 H new ATOM 0 HE3 LYS A 13 18.621 6.241 5.532 1.00 30.40 H new ATOM 0 HZ1 LYS A 13 18.528 7.360 7.502 1.00 51.34 H new ATOM 0 HZ2 LYS A 13 16.962 7.661 6.919 1.00 51.34 H new ATOM 0 HZ3 LYS A 13 17.213 6.467 8.099 1.00 51.34 H new ATOM 209 N PHE A 14 11.278 3.905 5.303 1.00 2.02 N ATOM 210 CA PHE A 14 9.901 3.947 4.850 1.00 54.41 C ATOM 211 C PHE A 14 8.927 3.495 5.939 1.00 51.12 C ATOM 212 O PHE A 14 7.792 3.959 5.946 1.00 34.34 O ATOM 213 CB PHE A 14 9.784 3.119 3.565 1.00 74.21 C ATOM 214 CG PHE A 14 8.458 3.238 2.846 1.00 74.50 C ATOM 215 CD1 PHE A 14 8.115 4.431 2.182 1.00 65.15 C ATOM 216 CD2 PHE A 14 7.574 2.144 2.821 1.00 72.23 C ATOM 217 CE1 PHE A 14 6.897 4.522 1.485 1.00 25.23 C ATOM 218 CE2 PHE A 14 6.348 2.243 2.145 1.00 74.43 C ATOM 219 CZ PHE A 14 6.004 3.435 1.487 1.00 4.21 C ATOM 0 H PHE A 14 11.875 3.332 4.706 1.00 2.02 H new ATOM 0 HA PHE A 14 9.620 4.976 4.628 1.00 54.41 H new ATOM 0 HB2 PHE A 14 10.579 3.421 2.883 1.00 74.21 H new ATOM 0 HB3 PHE A 14 9.955 2.071 3.809 1.00 74.21 H new ATOM 0 HD1 PHE A 14 8.787 5.276 2.208 1.00 65.15 H new ATOM 0 HD2 PHE A 14 7.839 1.226 3.323 1.00 72.23 H new ATOM 0 HE1 PHE A 14 6.647 5.426 0.949 1.00 25.23 H new ATOM 0 HE2 PHE A 14 5.669 1.403 2.131 1.00 74.43 H new ATOM 0 HZ PHE A 14 5.053 3.517 0.982 1.00 4.21 H new ATOM 229 N THR A 15 9.368 2.658 6.875 1.00 45.50 N ATOM 230 CA THR A 15 8.551 2.097 7.940 1.00 13.15 C ATOM 231 C THR A 15 8.908 2.697 9.313 1.00 32.05 C ATOM 232 O THR A 15 8.313 2.322 10.330 1.00 1.55 O ATOM 233 CB THR A 15 8.637 0.564 7.849 1.00 53.41 C ATOM 234 OG1 THR A 15 9.982 0.111 7.864 1.00 14.22 O ATOM 235 CG2 THR A 15 8.023 0.070 6.543 1.00 22.41 C ATOM 0 H THR A 15 10.337 2.343 6.911 1.00 45.50 H new ATOM 0 HA THR A 15 7.503 2.370 7.816 1.00 13.15 H new ATOM 0 HB THR A 15 8.099 0.175 8.714 1.00 53.41 H new ATOM 0 HG1 THR A 15 10.415 0.344 7.016 1.00 14.22 H new ATOM 0 HG21 THR A 15 8.093 -1.017 6.496 1.00 22.41 H new ATOM 0 HG22 THR A 15 6.976 0.369 6.498 1.00 22.41 H new ATOM 0 HG23 THR A 15 8.561 0.505 5.701 1.00 22.41 H new ATOM 243 N SER A 16 9.807 3.690 9.359 1.00 74.42 N ATOM 244 CA SER A 16 10.240 4.397 10.559 1.00 43.35 C ATOM 245 C SER A 16 10.430 5.888 10.211 1.00 45.31 C ATOM 246 O SER A 16 11.528 6.435 10.348 1.00 30.24 O ATOM 247 CB SER A 16 11.487 3.679 11.117 1.00 4.42 C ATOM 248 OG SER A 16 11.413 3.443 12.515 1.00 5.43 O ATOM 0 H SER A 16 10.270 4.034 8.518 1.00 74.42 H new ATOM 0 HA SER A 16 9.501 4.378 11.360 1.00 43.35 H new ATOM 0 HB2 SER A 16 11.613 2.728 10.600 1.00 4.42 H new ATOM 0 HB3 SER A 16 12.371 4.279 10.902 1.00 4.42 H new ATOM 0 HG SER A 16 12.227 2.985 12.813 1.00 5.43 H new ATOM 254 N SER A 17 9.375 6.513 9.670 1.00 64.22 N ATOM 255 CA SER A 17 9.067 7.943 9.676 1.00 10.34 C ATOM 256 C SER A 17 7.833 8.158 8.788 1.00 45.12 C ATOM 257 O SER A 17 7.896 7.940 7.572 1.00 72.01 O ATOM 258 CB SER A 17 10.262 8.807 9.234 1.00 32.34 C ATOM 259 OG SER A 17 9.917 10.166 9.013 1.00 52.41 O ATOM 0 H SER A 17 8.657 5.983 9.176 1.00 64.22 H new ATOM 0 HA SER A 17 8.853 8.267 10.695 1.00 10.34 H new ATOM 0 HB2 SER A 17 11.041 8.756 9.995 1.00 32.34 H new ATOM 0 HB3 SER A 17 10.683 8.392 8.318 1.00 32.34 H new ATOM 0 HG SER A 17 10.714 10.665 8.737 1.00 52.41 H new ATOM 265 N ALA A 18 6.727 8.645 9.359 1.00 74.35 N ATOM 266 CA ALA A 18 5.519 9.045 8.630 1.00 22.12 C ATOM 267 C ALA A 18 5.853 10.010 7.479 1.00 13.40 C ATOM 268 O ALA A 18 5.448 9.778 6.339 1.00 41.34 O ATOM 269 CB ALA A 18 4.525 9.669 9.607 1.00 23.14 C ATOM 0 H ALA A 18 6.645 8.775 10.367 1.00 74.35 H new ATOM 0 HA ALA A 18 5.067 8.161 8.180 1.00 22.12 H new ATOM 0 HB1 ALA A 18 3.625 9.968 9.069 1.00 23.14 H new ATOM 0 HB2 ALA A 18 4.264 8.941 10.375 1.00 23.14 H new ATOM 0 HB3 ALA A 18 4.976 10.544 10.075 1.00 23.14 H new ATOM 275 N SER A 19 6.605 11.087 7.735 1.00 45.21 N ATOM 276 CA SER A 19 6.955 12.024 6.668 1.00 71.14 C ATOM 277 C SER A 19 8.016 11.479 5.702 1.00 42.31 C ATOM 278 O SER A 19 8.005 11.884 4.538 1.00 5.33 O ATOM 279 CB SER A 19 7.351 13.384 7.243 1.00 25.12 C ATOM 280 OG SER A 19 6.181 14.045 7.690 1.00 42.55 O ATOM 0 H SER A 19 6.976 11.326 8.655 1.00 45.21 H new ATOM 0 HA SER A 19 6.056 12.158 6.066 1.00 71.14 H new ATOM 0 HB2 SER A 19 8.052 13.256 8.068 1.00 25.12 H new ATOM 0 HB3 SER A 19 7.857 13.982 6.485 1.00 25.12 H new ATOM 0 HG SER A 19 6.421 14.919 8.063 1.00 42.55 H new ATOM 286 N PHE A 20 8.885 10.532 6.092 1.00 33.44 N ATOM 287 CA PHE A 20 9.719 9.851 5.100 1.00 5.34 C ATOM 288 C PHE A 20 8.813 9.103 4.127 1.00 73.11 C ATOM 289 O PHE A 20 8.969 9.288 2.917 1.00 24.53 O ATOM 290 CB PHE A 20 10.762 8.910 5.717 1.00 70.42 C ATOM 291 CG PHE A 20 11.689 8.250 4.703 1.00 42.04 C ATOM 292 CD1 PHE A 20 11.233 7.164 3.931 1.00 11.34 C ATOM 293 CD2 PHE A 20 13.016 8.690 4.542 1.00 24.31 C ATOM 294 CE1 PHE A 20 12.087 6.502 3.033 1.00 21.31 C ATOM 295 CE2 PHE A 20 13.873 8.034 3.638 1.00 61.53 C ATOM 296 CZ PHE A 20 13.416 6.936 2.890 1.00 73.45 C ATOM 0 H PHE A 20 9.024 10.231 7.057 1.00 33.44 H new ATOM 0 HA PHE A 20 10.295 10.612 4.574 1.00 5.34 H new ATOM 0 HB2 PHE A 20 11.364 9.472 6.430 1.00 70.42 H new ATOM 0 HB3 PHE A 20 10.245 8.132 6.279 1.00 70.42 H new ATOM 0 HD1 PHE A 20 10.209 6.834 4.031 1.00 11.34 H new ATOM 0 HD2 PHE A 20 13.378 9.532 5.113 1.00 24.31 H new ATOM 0 HE1 PHE A 20 11.724 5.664 2.456 1.00 21.31 H new ATOM 0 HE2 PHE A 20 14.890 8.378 3.519 1.00 61.53 H new ATOM 0 HZ PHE A 20 14.083 6.428 2.209 1.00 73.45 H new ATOM 306 N GLN A 21 7.882 8.288 4.650 1.00 31.32 N ATOM 307 CA GLN A 21 6.877 7.558 3.892 1.00 10.32 C ATOM 308 C GLN A 21 6.209 8.508 2.893 1.00 73.34 C ATOM 309 O GLN A 21 6.357 8.308 1.687 1.00 70.52 O ATOM 310 CB GLN A 21 5.895 6.822 4.822 1.00 50.11 C ATOM 311 CG GLN A 21 4.854 6.056 3.984 1.00 43.34 C ATOM 312 CD GLN A 21 4.345 4.730 4.534 1.00 2.50 C ATOM 313 OE1 GLN A 21 3.223 4.359 4.213 1.00 5.34 O ATOM 314 NE2 GLN A 21 5.121 3.982 5.294 1.00 30.31 N ATOM 0 H GLN A 21 7.814 8.119 5.654 1.00 31.32 H new ATOM 0 HA GLN A 21 7.348 6.766 3.310 1.00 10.32 H new ATOM 0 HB2 GLN A 21 6.439 6.129 5.464 1.00 50.11 H new ATOM 0 HB3 GLN A 21 5.394 7.537 5.475 1.00 50.11 H new ATOM 0 HG2 GLN A 21 3.995 6.710 3.835 1.00 43.34 H new ATOM 0 HG3 GLN A 21 5.286 5.869 3.001 1.00 43.34 H new ATOM 0 HE21 GLN A 21 6.052 4.309 5.550 1.00 30.31 H new ATOM 0 HE22 GLN A 21 4.790 3.076 5.626 1.00 30.31 H new ATOM 323 N TYR A 22 5.539 9.567 3.361 1.00 53.55 N ATOM 324 CA TYR A 22 4.855 10.524 2.488 1.00 74.22 C ATOM 325 C TYR A 22 5.779 11.124 1.429 1.00 65.41 C ATOM 326 O TYR A 22 5.431 11.133 0.244 1.00 63.14 O ATOM 327 CB TYR A 22 4.171 11.626 3.308 1.00 24.41 C ATOM 328 CG TYR A 22 2.830 11.203 3.866 1.00 4.24 C ATOM 329 CD1 TYR A 22 1.795 10.879 2.971 1.00 33.44 C ATOM 330 CD2 TYR A 22 2.604 11.146 5.255 1.00 10.24 C ATOM 331 CE1 TYR A 22 0.544 10.480 3.462 1.00 72.43 C ATOM 332 CE2 TYR A 22 1.350 10.746 5.752 1.00 43.43 C ATOM 333 CZ TYR A 22 0.317 10.402 4.852 1.00 73.01 C ATOM 334 OH TYR A 22 -0.884 9.950 5.299 1.00 42.12 O ATOM 0 H TYR A 22 5.456 9.783 4.354 1.00 53.55 H new ATOM 0 HA TYR A 22 4.089 9.964 1.952 1.00 74.22 H new ATOM 0 HB2 TYR A 22 4.824 11.918 4.130 1.00 24.41 H new ATOM 0 HB3 TYR A 22 4.035 12.507 2.680 1.00 24.41 H new ATOM 0 HD1 TYR A 22 1.964 10.938 1.906 1.00 33.44 H new ATOM 0 HD2 TYR A 22 3.396 11.410 5.941 1.00 10.24 H new ATOM 0 HE1 TYR A 22 -0.250 10.231 2.773 1.00 72.43 H new ATOM 0 HE2 TYR A 22 1.178 10.702 6.817 1.00 43.43 H new ATOM 0 HH TYR A 22 -0.890 9.952 6.279 1.00 42.12 H new ATOM 344 N SER A 23 6.969 11.589 1.814 1.00 4.33 N ATOM 345 CA SER A 23 7.932 12.151 0.875 1.00 43.11 C ATOM 346 C SER A 23 8.423 11.141 -0.176 1.00 73.42 C ATOM 347 O SER A 23 9.039 11.565 -1.154 1.00 74.42 O ATOM 348 CB SER A 23 9.118 12.753 1.644 1.00 74.43 C ATOM 349 OG SER A 23 8.779 13.994 2.251 1.00 51.25 O ATOM 0 H SER A 23 7.288 11.585 2.783 1.00 4.33 H new ATOM 0 HA SER A 23 7.414 12.933 0.320 1.00 43.11 H new ATOM 0 HB2 SER A 23 9.448 12.052 2.410 1.00 74.43 H new ATOM 0 HB3 SER A 23 9.957 12.899 0.963 1.00 74.43 H new ATOM 0 HG SER A 23 9.557 14.346 2.732 1.00 51.25 H new ATOM 355 N ARG A 24 8.154 9.836 -0.047 1.00 4.20 N ATOM 356 CA ARG A 24 8.597 8.807 -0.975 1.00 24.53 C ATOM 357 C ARG A 24 7.421 8.284 -1.797 1.00 71.21 C ATOM 358 O ARG A 24 7.519 7.190 -2.342 1.00 62.55 O ATOM 359 CB ARG A 24 9.311 7.690 -0.182 1.00 13.12 C ATOM 360 CG ARG A 24 10.438 7.012 -0.974 1.00 14.03 C ATOM 361 CD ARG A 24 11.833 7.653 -0.851 1.00 53.42 C ATOM 362 NE ARG A 24 11.834 9.123 -0.888 1.00 64.14 N ATOM 363 CZ ARG A 24 11.914 9.959 -1.929 1.00 50.41 C ATOM 364 NH1 ARG A 24 11.938 9.544 -3.190 1.00 33.54 N ATOM 365 NH2 ARG A 24 11.968 11.254 -1.657 1.00 14.32 N ATOM 0 H ARG A 24 7.607 9.464 0.729 1.00 4.20 H new ATOM 0 HA ARG A 24 9.309 9.223 -1.688 1.00 24.53 H new ATOM 0 HB2 ARG A 24 9.723 8.111 0.735 1.00 13.12 H new ATOM 0 HB3 ARG A 24 8.579 6.938 0.113 1.00 13.12 H new ATOM 0 HG2 ARG A 24 10.508 5.973 -0.651 1.00 14.03 H new ATOM 0 HG3 ARG A 24 10.158 7.000 -2.027 1.00 14.03 H new ATOM 0 HD2 ARG A 24 12.288 7.325 0.084 1.00 53.42 H new ATOM 0 HD3 ARG A 24 12.462 7.281 -1.660 1.00 53.42 H new ATOM 0 HE ARG A 24 11.762 9.576 0.023 1.00 64.14 H new ATOM 0 HH11 ARG A 24 11.895 8.547 -3.400 1.00 33.54 H new ATOM 0 HH12 ARG A 24 12.000 10.222 -3.949 1.00 33.54 H new ATOM 0 HH21 ARG A 24 11.948 11.573 -0.688 1.00 14.32 H new ATOM 0 HH22 ARG A 24 12.030 11.932 -2.416 1.00 14.32 H new ATOM 379 N ILE A 25 6.302 9.007 -1.889 1.00 70.32 N ATOM 380 CA ILE A 25 5.127 8.583 -2.646 1.00 50.02 C ATOM 381 C ILE A 25 4.779 9.717 -3.618 1.00 42.05 C ATOM 382 O ILE A 25 4.764 10.891 -3.232 1.00 30.43 O ATOM 383 CB ILE A 25 3.971 8.205 -1.685 1.00 71.45 C ATOM 384 CG1 ILE A 25 4.354 7.116 -0.653 1.00 52.12 C ATOM 385 CG2 ILE A 25 2.776 7.694 -2.501 1.00 74.25 C ATOM 386 CD1 ILE A 25 3.396 7.040 0.539 1.00 52.03 C ATOM 0 H ILE A 25 6.188 9.913 -1.434 1.00 70.32 H new ATOM 0 HA ILE A 25 5.320 7.680 -3.225 1.00 50.02 H new ATOM 0 HB ILE A 25 3.726 9.111 -1.130 1.00 71.45 H new ATOM 0 HG12 ILE A 25 4.379 6.147 -1.151 1.00 52.12 H new ATOM 0 HG13 ILE A 25 5.362 7.312 -0.287 1.00 52.12 H new ATOM 0 HG21 ILE A 25 1.962 7.428 -1.827 1.00 74.25 H new ATOM 0 HG22 ILE A 25 2.441 8.475 -3.184 1.00 74.25 H new ATOM 0 HG23 ILE A 25 3.075 6.816 -3.073 1.00 74.25 H new ATOM 0 HD11 ILE A 25 3.725 6.256 1.221 1.00 52.03 H new ATOM 0 HD12 ILE A 25 3.389 7.996 1.062 1.00 52.03 H new ATOM 0 HD13 ILE A 25 2.391 6.813 0.184 1.00 52.03 H new ATOM 398 N LYS A 26 4.561 9.392 -4.898 1.00 71.41 N ATOM 399 CA LYS A 26 4.032 10.349 -5.872 1.00 25.21 C ATOM 400 C LYS A 26 2.535 10.556 -5.632 1.00 12.04 C ATOM 401 O LYS A 26 1.863 9.672 -5.100 1.00 22.20 O ATOM 402 CB LYS A 26 4.284 9.812 -7.298 1.00 33.54 C ATOM 403 CG LYS A 26 5.003 10.813 -8.210 1.00 51.23 C ATOM 404 CD LYS A 26 6.449 11.093 -7.757 1.00 10.12 C ATOM 405 CE LYS A 26 6.637 12.526 -7.240 1.00 42.32 C ATOM 406 NZ LYS A 26 6.749 13.516 -8.329 1.00 45.32 N ATOM 0 H LYS A 26 4.745 8.466 -5.283 1.00 71.41 H new ATOM 0 HA LYS A 26 4.535 11.309 -5.760 1.00 25.21 H new ATOM 0 HB2 LYS A 26 4.877 8.899 -7.235 1.00 33.54 H new ATOM 0 HB3 LYS A 26 3.330 9.541 -7.750 1.00 33.54 H new ATOM 0 HG2 LYS A 26 5.014 10.428 -9.230 1.00 51.23 H new ATOM 0 HG3 LYS A 26 4.444 11.749 -8.229 1.00 51.23 H new ATOM 0 HD2 LYS A 26 6.723 10.388 -6.972 1.00 10.12 H new ATOM 0 HD3 LYS A 26 7.128 10.920 -8.592 1.00 10.12 H new ATOM 0 HE2 LYS A 26 5.795 12.790 -6.600 1.00 42.32 H new ATOM 0 HE3 LYS A 26 7.533 12.570 -6.622 1.00 42.32 H new ATOM 0 HZ1 LYS A 26 6.874 14.465 -7.923 1.00 45.32 H new ATOM 0 HZ2 LYS A 26 7.568 13.284 -8.926 1.00 45.32 H new ATOM 0 HZ3 LYS A 26 5.884 13.497 -8.906 1.00 45.32 H new ATOM 420 N PHE A 27 1.977 11.672 -6.094 1.00 32.11 N ATOM 421 CA PHE A 27 0.536 11.827 -6.246 1.00 44.23 C ATOM 422 C PHE A 27 0.239 12.500 -7.592 1.00 5.03 C ATOM 423 O PHE A 27 1.082 13.257 -8.074 1.00 5.20 O ATOM 424 CB PHE A 27 -0.061 12.611 -5.070 1.00 4.23 C ATOM 425 CG PHE A 27 0.690 13.863 -4.648 1.00 24.54 C ATOM 426 CD1 PHE A 27 0.687 15.007 -5.467 1.00 33.21 C ATOM 427 CD2 PHE A 27 1.414 13.878 -3.438 1.00 30.51 C ATOM 428 CE1 PHE A 27 1.421 16.142 -5.095 1.00 44.33 C ATOM 429 CE2 PHE A 27 2.133 15.022 -3.056 1.00 2.44 C ATOM 430 CZ PHE A 27 2.139 16.153 -3.890 1.00 5.00 C ATOM 0 H PHE A 27 2.513 12.494 -6.373 1.00 32.11 H new ATOM 0 HA PHE A 27 0.063 10.845 -6.238 1.00 44.23 H new ATOM 0 HB2 PHE A 27 -1.081 12.895 -5.330 1.00 4.23 H new ATOM 0 HB3 PHE A 27 -0.125 11.944 -4.211 1.00 4.23 H new ATOM 0 HD1 PHE A 27 0.118 15.011 -6.385 1.00 33.21 H new ATOM 0 HD2 PHE A 27 1.415 13.005 -2.802 1.00 30.51 H new ATOM 0 HE1 PHE A 27 1.434 17.010 -5.738 1.00 44.33 H new ATOM 0 HE2 PHE A 27 2.679 15.033 -2.125 1.00 2.44 H new ATOM 0 HZ PHE A 27 2.697 17.032 -3.603 1.00 5.00 H new ATOM 440 N PRO A 28 -0.948 12.293 -8.192 1.00 65.25 N ATOM 441 CA PRO A 28 -1.846 11.183 -7.893 1.00 41.02 C ATOM 442 C PRO A 28 -1.146 9.845 -8.194 1.00 51.42 C ATOM 443 O PRO A 28 -0.078 9.819 -8.811 1.00 61.42 O ATOM 444 CB PRO A 28 -3.075 11.418 -8.774 1.00 50.44 C ATOM 445 CG PRO A 28 -2.506 12.135 -9.996 1.00 63.51 C ATOM 446 CD PRO A 28 -1.370 12.972 -9.410 1.00 74.11 C ATOM 0 HA PRO A 28 -2.133 11.134 -6.843 1.00 41.02 H new ATOM 0 HB2 PRO A 28 -3.558 10.480 -9.048 1.00 50.44 H new ATOM 0 HB3 PRO A 28 -3.824 12.025 -8.265 1.00 50.44 H new ATOM 0 HG2 PRO A 28 -2.143 11.430 -10.744 1.00 63.51 H new ATOM 0 HG3 PRO A 28 -3.256 12.758 -10.483 1.00 63.51 H new ATOM 0 HD2 PRO A 28 -0.543 13.054 -10.116 1.00 74.11 H new ATOM 0 HD3 PRO A 28 -1.706 13.986 -9.193 1.00 74.11 H new ATOM 454 N LEU A 29 -1.706 8.742 -7.700 1.00 45.33 N ATOM 455 CA LEU A 29 -1.155 7.403 -7.915 1.00 44.23 C ATOM 456 C LEU A 29 -1.549 6.904 -9.318 1.00 1.32 C ATOM 457 O LEU A 29 -1.917 7.704 -10.184 1.00 24.33 O ATOM 458 CB LEU A 29 -1.604 6.484 -6.761 1.00 12.10 C ATOM 459 CG LEU A 29 -1.048 6.943 -5.394 1.00 5.34 C ATOM 460 CD1 LEU A 29 -1.862 6.406 -4.215 1.00 44.01 C ATOM 461 CD2 LEU A 29 0.413 6.522 -5.228 1.00 4.14 C ATOM 0 H LEU A 29 -2.557 8.751 -7.138 1.00 45.33 H new ATOM 0 HA LEU A 29 -0.065 7.409 -7.897 1.00 44.23 H new ATOM 0 HB2 LEU A 29 -2.693 6.463 -6.719 1.00 12.10 H new ATOM 0 HB3 LEU A 29 -1.273 5.465 -6.961 1.00 12.10 H new ATOM 0 HG LEU A 29 -1.123 8.030 -5.388 1.00 5.34 H new ATOM 0 HD11 LEU A 29 -1.426 6.760 -3.281 1.00 44.01 H new ATOM 0 HD12 LEU A 29 -2.890 6.759 -4.292 1.00 44.01 H new ATOM 0 HD13 LEU A 29 -1.850 5.316 -4.231 1.00 44.01 H new ATOM 0 HD21 LEU A 29 0.780 6.857 -4.258 1.00 4.14 H new ATOM 0 HD22 LEU A 29 0.488 5.436 -5.289 1.00 4.14 H new ATOM 0 HD23 LEU A 29 1.013 6.972 -6.018 1.00 4.14 H new ATOM 473 N LYS A 30 -1.447 5.599 -9.582 1.00 72.52 N ATOM 474 CA LYS A 30 -1.836 5.012 -10.872 1.00 64.52 C ATOM 475 C LYS A 30 -3.113 4.161 -10.814 1.00 71.31 C ATOM 476 O LYS A 30 -3.688 3.900 -11.869 1.00 61.12 O ATOM 477 CB LYS A 30 -0.676 4.223 -11.482 1.00 64.32 C ATOM 478 CG LYS A 30 0.618 5.023 -11.715 1.00 25.20 C ATOM 479 CD LYS A 30 1.630 4.127 -12.438 1.00 62.45 C ATOM 480 CE LYS A 30 3.075 4.624 -12.324 1.00 50.13 C ATOM 481 NZ LYS A 30 3.965 3.793 -13.157 1.00 3.34 N ATOM 0 H LYS A 30 -1.093 4.918 -8.910 1.00 72.52 H new ATOM 0 HA LYS A 30 -2.076 5.854 -11.521 1.00 64.52 H new ATOM 0 HB2 LYS A 30 -0.449 3.380 -10.829 1.00 64.32 H new ATOM 0 HB3 LYS A 30 -1.003 3.808 -12.435 1.00 64.32 H new ATOM 0 HG2 LYS A 30 0.410 5.913 -12.309 1.00 25.20 H new ATOM 0 HG3 LYS A 30 1.027 5.364 -10.764 1.00 25.20 H new ATOM 0 HD2 LYS A 30 1.568 3.118 -12.030 1.00 62.45 H new ATOM 0 HD3 LYS A 30 1.358 4.062 -13.492 1.00 62.45 H new ATOM 0 HE2 LYS A 30 3.136 5.665 -12.641 1.00 50.13 H new ATOM 0 HE3 LYS A 30 3.399 4.588 -11.284 1.00 50.13 H new ATOM 0 HZ1 LYS A 30 4.909 3.751 -12.722 1.00 3.34 H new ATOM 0 HZ2 LYS A 30 3.574 2.832 -13.231 1.00 3.34 H new ATOM 0 HZ3 LYS A 30 4.040 4.210 -14.107 1.00 3.34 H new ATOM 495 N SER A 31 -3.579 3.784 -9.621 1.00 41.14 N ATOM 496 CA SER A 31 -4.662 2.843 -9.352 1.00 70.44 C ATOM 497 C SER A 31 -6.000 3.561 -9.105 1.00 71.54 C ATOM 498 O SER A 31 -6.228 3.990 -7.965 1.00 73.43 O ATOM 499 CB SER A 31 -4.270 1.894 -8.213 1.00 71.22 C ATOM 500 OG SER A 31 -5.293 0.963 -7.939 1.00 53.40 O ATOM 0 H SER A 31 -3.180 4.156 -8.759 1.00 41.14 H new ATOM 0 HA SER A 31 -4.820 2.234 -10.242 1.00 70.44 H new ATOM 0 HB2 SER A 31 -3.356 1.363 -8.479 1.00 71.22 H new ATOM 0 HB3 SER A 31 -4.053 2.472 -7.315 1.00 71.22 H new ATOM 0 HG SER A 31 -5.011 0.372 -7.210 1.00 53.40 H new ATOM 506 N PRO A 32 -6.834 3.859 -10.126 1.00 44.21 N ATOM 507 CA PRO A 32 -8.217 4.246 -9.873 1.00 41.25 C ATOM 508 C PRO A 32 -8.895 3.256 -8.935 1.00 2.03 C ATOM 509 O PRO A 32 -8.787 2.041 -9.086 1.00 21.43 O ATOM 510 CB PRO A 32 -8.919 4.314 -11.227 1.00 54.45 C ATOM 511 CG PRO A 32 -8.084 3.376 -12.095 1.00 50.12 C ATOM 512 CD PRO A 32 -6.672 3.581 -11.544 1.00 71.25 C ATOM 0 HA PRO A 32 -8.265 5.216 -9.378 1.00 41.25 H new ATOM 0 HB2 PRO A 32 -9.956 3.986 -11.161 1.00 54.45 H new ATOM 0 HB3 PRO A 32 -8.931 5.329 -11.625 1.00 54.45 H new ATOM 0 HG2 PRO A 32 -8.409 2.340 -12.001 1.00 50.12 H new ATOM 0 HG3 PRO A 32 -8.149 3.636 -13.152 1.00 50.12 H new ATOM 0 HD2 PRO A 32 -6.059 2.693 -11.700 1.00 71.25 H new ATOM 0 HD3 PRO A 32 -6.172 4.407 -12.049 1.00 71.25 H new ATOM 520 N ILE A 33 -9.608 3.809 -7.959 1.00 70.52 N ATOM 521 CA ILE A 33 -10.336 3.049 -6.959 1.00 30.24 C ATOM 522 C ILE A 33 -11.742 2.917 -7.528 1.00 22.21 C ATOM 523 O ILE A 33 -12.467 3.912 -7.613 1.00 53.32 O ATOM 524 CB ILE A 33 -10.299 3.772 -5.596 1.00 51.12 C ATOM 525 CG1 ILE A 33 -8.853 4.019 -5.117 1.00 63.13 C ATOM 526 CG2 ILE A 33 -11.061 2.970 -4.530 1.00 12.44 C ATOM 527 CD1 ILE A 33 -8.800 5.117 -4.061 1.00 53.11 C ATOM 0 H ILE A 33 -9.695 4.819 -7.842 1.00 70.52 H new ATOM 0 HA ILE A 33 -9.904 2.067 -6.764 1.00 30.24 H new ATOM 0 HB ILE A 33 -10.784 4.738 -5.737 1.00 51.12 H new ATOM 0 HG12 ILE A 33 -8.441 3.097 -4.707 1.00 63.13 H new ATOM 0 HG13 ILE A 33 -8.229 4.297 -5.966 1.00 63.13 H new ATOM 0 HG21 ILE A 33 -11.021 3.500 -3.578 1.00 12.44 H new ATOM 0 HG22 ILE A 33 -12.100 2.853 -4.837 1.00 12.44 H new ATOM 0 HG23 ILE A 33 -10.603 1.987 -4.418 1.00 12.44 H new ATOM 0 HD11 ILE A 33 -7.768 5.267 -3.744 1.00 53.11 H new ATOM 0 HD12 ILE A 33 -9.189 6.045 -4.481 1.00 53.11 H new ATOM 0 HD13 ILE A 33 -9.405 4.825 -3.202 1.00 53.11 H new ATOM 539 N ALA A 34 -12.098 1.719 -7.978 1.00 74.52 N ATOM 540 CA ALA A 34 -13.388 1.405 -8.565 1.00 1.40 C ATOM 541 C ALA A 34 -14.103 0.455 -7.619 1.00 13.43 C ATOM 542 O ALA A 34 -13.624 -0.664 -7.427 1.00 53.30 O ATOM 543 CB ALA A 34 -13.177 0.755 -9.936 1.00 61.31 C ATOM 0 H ALA A 34 -11.472 0.914 -7.941 1.00 74.52 H new ATOM 0 HA ALA A 34 -13.988 2.304 -8.707 1.00 1.40 H new ATOM 0 HB1 ALA A 34 -14.144 0.518 -10.379 1.00 61.31 H new ATOM 0 HB2 ALA A 34 -12.639 1.444 -10.587 1.00 61.31 H new ATOM 0 HB3 ALA A 34 -12.597 -0.161 -9.819 1.00 61.31 H new ATOM 549 N LEU A 35 -15.197 0.895 -6.990 1.00 62.04 N ATOM 550 CA LEU A 35 -16.054 0.006 -6.208 1.00 74.01 C ATOM 551 C LEU A 35 -17.348 -0.250 -6.969 1.00 4.20 C ATOM 552 O LEU A 35 -17.631 0.455 -7.943 1.00 25.44 O ATOM 553 CB LEU A 35 -16.356 0.587 -4.824 1.00 44.13 C ATOM 554 CG LEU A 35 -15.135 0.901 -3.947 1.00 63.35 C ATOM 555 CD1 LEU A 35 -13.939 -0.036 -4.103 1.00 3.44 C ATOM 556 CD2 LEU A 35 -14.686 2.344 -4.080 1.00 54.14 C ATOM 0 H LEU A 35 -15.509 1.866 -7.009 1.00 62.04 H new ATOM 0 HA LEU A 35 -15.525 -0.935 -6.058 1.00 74.01 H new ATOM 0 HB2 LEU A 35 -16.931 1.504 -4.954 1.00 44.13 H new ATOM 0 HB3 LEU A 35 -16.993 -0.116 -4.287 1.00 44.13 H new ATOM 0 HG LEU A 35 -15.511 0.725 -2.939 1.00 63.35 H new ATOM 0 HD11 LEU A 35 -13.138 0.282 -3.436 1.00 3.44 H new ATOM 0 HD12 LEU A 35 -14.238 -1.053 -3.851 1.00 3.44 H new ATOM 0 HD13 LEU A 35 -13.586 -0.007 -5.134 1.00 3.44 H new ATOM 0 HD21 LEU A 35 -13.820 2.516 -3.441 1.00 54.14 H new ATOM 0 HD22 LEU A 35 -14.418 2.548 -5.117 1.00 54.14 H new ATOM 0 HD23 LEU A 35 -15.497 3.007 -3.778 1.00 54.14 H new ATOM 568 N LEU A 36 -18.134 -1.225 -6.522 1.00 73.22 N ATOM 569 CA LEU A 36 -19.362 -1.658 -7.174 1.00 50.44 C ATOM 570 C LEU A 36 -20.563 -0.939 -6.576 1.00 31.22 C ATOM 571 O LEU A 36 -20.668 -0.777 -5.357 1.00 61.44 O ATOM 572 CB LEU A 36 -19.496 -3.185 -7.040 1.00 44.23 C ATOM 573 CG LEU A 36 -19.544 -3.924 -8.385 1.00 72.42 C ATOM 574 CD1 LEU A 36 -18.357 -3.640 -9.322 1.00 2.52 C ATOM 575 CD2 LEU A 36 -19.592 -5.427 -8.081 1.00 5.41 C ATOM 0 H LEU A 36 -17.927 -1.749 -5.672 1.00 73.22 H new ATOM 0 HA LEU A 36 -19.325 -1.404 -8.233 1.00 50.44 H new ATOM 0 HB2 LEU A 36 -18.656 -3.564 -6.458 1.00 44.23 H new ATOM 0 HB3 LEU A 36 -20.402 -3.413 -6.478 1.00 44.23 H new ATOM 0 HG LEU A 36 -20.425 -3.565 -8.917 1.00 72.42 H new ATOM 0 HD11 LEU A 36 -18.479 -4.206 -10.246 1.00 2.52 H new ATOM 0 HD12 LEU A 36 -18.321 -2.575 -9.551 1.00 2.52 H new ATOM 0 HD13 LEU A 36 -17.429 -3.938 -8.834 1.00 2.52 H new ATOM 0 HD21 LEU A 36 -19.627 -5.986 -9.016 1.00 5.41 H new ATOM 0 HD22 LEU A 36 -18.702 -5.713 -7.520 1.00 5.41 H new ATOM 0 HD23 LEU A 36 -20.481 -5.651 -7.491 1.00 5.41 H new ATOM 587 N LYS A 37 -21.497 -0.532 -7.433 1.00 74.25 N ATOM 588 CA LYS A 37 -22.707 0.197 -7.056 1.00 32.30 C ATOM 589 C LYS A 37 -23.818 -0.696 -6.517 1.00 14.33 C ATOM 590 O LYS A 37 -24.988 -0.343 -6.651 1.00 50.33 O ATOM 591 CB LYS A 37 -23.178 1.006 -8.269 1.00 10.12 C ATOM 592 CG LYS A 37 -22.120 2.012 -8.728 1.00 45.23 C ATOM 593 CD LYS A 37 -22.593 2.742 -9.976 1.00 44.33 C ATOM 594 CE LYS A 37 -23.463 3.936 -9.559 1.00 70.24 C ATOM 595 NZ LYS A 37 -24.212 4.519 -10.684 1.00 22.20 N ATOM 0 H LYS A 37 -21.432 -0.705 -8.436 1.00 74.25 H new ATOM 0 HA LYS A 37 -22.458 0.860 -6.227 1.00 32.30 H new ATOM 0 HB2 LYS A 37 -23.414 0.327 -9.089 1.00 10.12 H new ATOM 0 HB3 LYS A 37 -24.098 1.535 -8.018 1.00 10.12 H new ATOM 0 HG2 LYS A 37 -21.921 2.730 -7.932 1.00 45.23 H new ATOM 0 HG3 LYS A 37 -21.182 1.496 -8.934 1.00 45.23 H new ATOM 0 HD2 LYS A 37 -21.738 3.085 -10.558 1.00 44.33 H new ATOM 0 HD3 LYS A 37 -23.162 2.066 -10.614 1.00 44.33 H new ATOM 0 HE2 LYS A 37 -24.165 3.616 -8.789 1.00 70.24 H new ATOM 0 HE3 LYS A 37 -22.829 4.703 -9.114 1.00 70.24 H new ATOM 0 HZ1 LYS A 37 -24.781 5.320 -10.344 1.00 22.20 H new ATOM 0 HZ2 LYS A 37 -23.545 4.851 -11.410 1.00 22.20 H new ATOM 0 HZ3 LYS A 37 -24.839 3.798 -11.094 1.00 22.20 H new ATOM 609 N ASP A 38 -23.466 -1.821 -5.898 1.00 63.12 N ATOM 610 CA ASP A 38 -24.420 -2.816 -5.404 1.00 52.12 C ATOM 611 C ASP A 38 -25.330 -3.306 -6.537 1.00 43.43 C ATOM 612 O ASP A 38 -26.547 -3.440 -6.388 1.00 25.05 O ATOM 613 CB ASP A 38 -25.190 -2.246 -4.206 1.00 32.04 C ATOM 614 CG ASP A 38 -25.953 -3.287 -3.386 1.00 53.12 C ATOM 615 OD1 ASP A 38 -25.709 -4.515 -3.523 1.00 30.33 O ATOM 616 OD2 ASP A 38 -26.749 -2.854 -2.524 1.00 50.54 O ATOM 0 H ASP A 38 -22.493 -2.073 -5.722 1.00 63.12 H new ATOM 0 HA ASP A 38 -23.886 -3.697 -5.049 1.00 52.12 H new ATOM 0 HB2 ASP A 38 -24.487 -1.731 -3.551 1.00 32.04 H new ATOM 0 HB3 ASP A 38 -25.896 -1.498 -4.567 1.00 32.04 H new ATOM 621 N ASP A 39 -24.734 -3.520 -7.714 1.00 1.34 N ATOM 622 CA ASP A 39 -25.454 -3.878 -8.941 1.00 21.12 C ATOM 623 C ASP A 39 -24.690 -4.896 -9.796 1.00 13.35 C ATOM 624 O ASP A 39 -25.100 -5.241 -10.904 1.00 34.45 O ATOM 625 CB ASP A 39 -25.759 -2.615 -9.748 1.00 73.21 C ATOM 626 CG ASP A 39 -27.035 -2.775 -10.575 1.00 73.22 C ATOM 627 OD1 ASP A 39 -28.078 -3.139 -9.989 1.00 53.11 O ATOM 628 OD2 ASP A 39 -27.030 -2.424 -11.781 1.00 11.41 O ATOM 0 H ASP A 39 -23.725 -3.449 -7.844 1.00 1.34 H new ATOM 0 HA ASP A 39 -26.387 -4.358 -8.647 1.00 21.12 H new ATOM 0 HB2 ASP A 39 -25.866 -1.767 -9.072 1.00 73.21 H new ATOM 0 HB3 ASP A 39 -24.921 -2.393 -10.409 1.00 73.21 H new ATOM 633 N GLY A 40 -23.547 -5.371 -9.296 1.00 65.04 N ATOM 634 CA GLY A 40 -22.664 -6.281 -10.001 1.00 45.12 C ATOM 635 C GLY A 40 -21.939 -5.563 -11.131 1.00 4.51 C ATOM 636 O GLY A 40 -20.899 -4.957 -10.907 1.00 32.41 O ATOM 0 H GLY A 40 -23.208 -5.123 -8.366 1.00 65.04 H new ATOM 0 HA2 GLY A 40 -21.937 -6.702 -9.306 1.00 45.12 H new ATOM 0 HA3 GLY A 40 -23.239 -7.115 -10.404 1.00 45.12 H new ATOM 640 N GLU A 41 -22.465 -5.582 -12.349 1.00 30.23 N ATOM 641 CA GLU A 41 -21.756 -5.090 -13.521 1.00 51.44 C ATOM 642 C GLU A 41 -21.992 -3.592 -13.674 1.00 33.41 C ATOM 643 O GLU A 41 -22.645 -3.110 -14.607 1.00 24.33 O ATOM 644 CB GLU A 41 -22.154 -5.881 -14.761 1.00 12.21 C ATOM 645 CG GLU A 41 -21.626 -7.317 -14.685 1.00 25.42 C ATOM 646 CD GLU A 41 -21.697 -7.965 -16.061 1.00 54.42 C ATOM 647 OE1 GLU A 41 -22.797 -8.441 -16.426 1.00 41.03 O ATOM 648 OE2 GLU A 41 -20.666 -7.907 -16.775 1.00 2.15 O ATOM 0 H GLU A 41 -23.398 -5.940 -12.551 1.00 30.23 H new ATOM 0 HA GLU A 41 -20.684 -5.239 -13.392 1.00 51.44 H new ATOM 0 HB2 GLU A 41 -23.240 -5.893 -14.857 1.00 12.21 H new ATOM 0 HB3 GLU A 41 -21.761 -5.391 -15.652 1.00 12.21 H new ATOM 0 HG2 GLU A 41 -20.597 -7.318 -14.325 1.00 25.42 H new ATOM 0 HG3 GLU A 41 -22.214 -7.893 -13.971 1.00 25.42 H new ATOM 655 N THR A 42 -21.382 -2.850 -12.766 1.00 50.32 N ATOM 656 CA THR A 42 -21.331 -1.401 -12.756 1.00 64.44 C ATOM 657 C THR A 42 -19.893 -0.887 -12.765 1.00 73.12 C ATOM 658 O THR A 42 -19.011 -1.409 -12.076 1.00 50.04 O ATOM 659 CB THR A 42 -22.132 -0.873 -11.555 1.00 65.11 C ATOM 660 OG1 THR A 42 -22.119 -1.746 -10.431 1.00 50.15 O ATOM 661 CG2 THR A 42 -23.569 -0.636 -12.007 1.00 43.12 C ATOM 0 H THR A 42 -20.885 -3.264 -11.977 1.00 50.32 H new ATOM 0 HA THR A 42 -21.789 -1.022 -13.669 1.00 64.44 H new ATOM 0 HB THR A 42 -21.657 0.050 -11.223 1.00 65.11 H new ATOM 0 HG1 THR A 42 -22.952 -1.641 -9.926 1.00 50.15 H new ATOM 0 HG21 THR A 42 -24.157 -0.260 -11.169 1.00 43.12 H new ATOM 0 HG22 THR A 42 -23.580 0.095 -12.815 1.00 43.12 H new ATOM 0 HG23 THR A 42 -23.999 -1.573 -12.360 1.00 43.12 H new ATOM 669 N GLU A 43 -19.684 0.199 -13.508 1.00 70.24 N ATOM 670 CA GLU A 43 -18.448 0.960 -13.541 1.00 3.31 C ATOM 671 C GLU A 43 -18.613 2.248 -12.738 1.00 4.43 C ATOM 672 O GLU A 43 -19.593 2.987 -12.902 1.00 73.32 O ATOM 673 CB GLU A 43 -18.057 1.332 -14.975 1.00 4.22 C ATOM 674 CG GLU A 43 -17.712 0.139 -15.864 1.00 43.34 C ATOM 675 CD GLU A 43 -18.823 -0.148 -16.880 1.00 70.31 C ATOM 676 OE1 GLU A 43 -19.956 -0.488 -16.483 1.00 73.14 O ATOM 677 OE2 GLU A 43 -18.569 -0.069 -18.107 1.00 2.32 O ATOM 0 H GLU A 43 -20.401 0.582 -14.124 1.00 70.24 H new ATOM 0 HA GLU A 43 -17.665 0.335 -13.111 1.00 3.31 H new ATOM 0 HB2 GLU A 43 -18.879 1.884 -15.431 1.00 4.22 H new ATOM 0 HB3 GLU A 43 -17.200 2.005 -14.942 1.00 4.22 H new ATOM 0 HG2 GLU A 43 -16.778 0.335 -16.391 1.00 43.34 H new ATOM 0 HG3 GLU A 43 -17.549 -0.742 -15.244 1.00 43.34 H new ATOM 684 N GLN A 44 -17.610 2.539 -11.913 1.00 71.11 N ATOM 685 CA GLN A 44 -17.515 3.703 -11.037 1.00 33.10 C ATOM 686 C GLN A 44 -16.027 3.890 -10.702 1.00 54.14 C ATOM 687 O GLN A 44 -15.315 2.888 -10.657 1.00 43.24 O ATOM 688 CB GLN A 44 -18.373 3.392 -9.798 1.00 64.24 C ATOM 689 CG GLN A 44 -18.724 4.568 -8.891 1.00 3.20 C ATOM 690 CD GLN A 44 -17.533 5.162 -8.170 1.00 61.45 C ATOM 691 OE1 GLN A 44 -17.226 6.335 -8.325 1.00 43.11 O ATOM 692 NE2 GLN A 44 -16.820 4.357 -7.406 1.00 4.42 N ATOM 0 H GLN A 44 -16.794 1.932 -11.834 1.00 71.11 H new ATOM 0 HA GLN A 44 -17.879 4.628 -11.483 1.00 33.10 H new ATOM 0 HB2 GLN A 44 -19.303 2.934 -10.135 1.00 64.24 H new ATOM 0 HB3 GLN A 44 -17.849 2.647 -9.200 1.00 64.24 H new ATOM 0 HG2 GLN A 44 -19.200 5.346 -9.488 1.00 3.20 H new ATOM 0 HG3 GLN A 44 -19.456 4.240 -8.153 1.00 3.20 H new ATOM 0 HE21 GLN A 44 -17.098 3.382 -7.293 1.00 4.42 H new ATOM 0 HE22 GLN A 44 -15.991 4.709 -6.928 1.00 4.42 H new ATOM 701 N THR A 45 -15.532 5.115 -10.476 1.00 54.23 N ATOM 702 CA THR A 45 -14.143 5.385 -10.089 1.00 34.10 C ATOM 703 C THR A 45 -13.991 6.655 -9.237 1.00 12.02 C ATOM 704 O THR A 45 -14.755 7.616 -9.383 1.00 64.25 O ATOM 705 CB THR A 45 -13.261 5.562 -11.343 1.00 23.33 C ATOM 706 OG1 THR A 45 -13.788 6.529 -12.237 1.00 43.32 O ATOM 707 CG2 THR A 45 -13.095 4.279 -12.130 1.00 22.34 C ATOM 0 H THR A 45 -16.097 5.960 -10.559 1.00 54.23 H new ATOM 0 HA THR A 45 -13.829 4.526 -9.496 1.00 34.10 H new ATOM 0 HB THR A 45 -12.296 5.886 -10.952 1.00 23.33 H new ATOM 0 HG1 THR A 45 -13.198 6.611 -13.015 1.00 43.32 H new ATOM 0 HG21 THR A 45 -12.465 4.465 -13.000 1.00 22.34 H new ATOM 0 HG22 THR A 45 -12.628 3.523 -11.499 1.00 22.34 H new ATOM 0 HG23 THR A 45 -14.072 3.924 -12.458 1.00 22.34 H new ATOM 715 N PHE A 46 -12.921 6.713 -8.434 1.00 34.23 N ATOM 716 CA PHE A 46 -12.589 7.839 -7.555 1.00 41.25 C ATOM 717 C PHE A 46 -11.156 8.336 -7.765 1.00 12.03 C ATOM 718 O PHE A 46 -10.337 7.597 -8.323 1.00 41.32 O ATOM 719 CB PHE A 46 -12.768 7.412 -6.094 1.00 44.11 C ATOM 720 CG PHE A 46 -14.208 7.192 -5.710 1.00 70.13 C ATOM 721 CD1 PHE A 46 -15.133 8.245 -5.833 1.00 54.43 C ATOM 722 CD2 PHE A 46 -14.621 5.937 -5.233 1.00 2.33 C ATOM 723 CE1 PHE A 46 -16.479 8.039 -5.501 1.00 42.23 C ATOM 724 CE2 PHE A 46 -15.973 5.742 -4.896 1.00 12.54 C ATOM 725 CZ PHE A 46 -16.901 6.788 -5.037 1.00 21.20 C ATOM 0 H PHE A 46 -12.242 5.954 -8.377 1.00 34.23 H new ATOM 0 HA PHE A 46 -13.263 8.660 -7.801 1.00 41.25 H new ATOM 0 HB2 PHE A 46 -12.208 6.493 -5.920 1.00 44.11 H new ATOM 0 HB3 PHE A 46 -12.338 8.175 -5.444 1.00 44.11 H new ATOM 0 HD1 PHE A 46 -14.806 9.213 -6.183 1.00 54.43 H new ATOM 0 HD2 PHE A 46 -13.909 5.132 -5.126 1.00 2.33 H new ATOM 0 HE1 PHE A 46 -17.190 8.845 -5.603 1.00 42.23 H new ATOM 0 HE2 PHE A 46 -16.300 4.781 -4.526 1.00 12.54 H new ATOM 0 HZ PHE A 46 -17.939 6.626 -4.787 1.00 21.20 H new ATOM 735 N PRO A 47 -10.838 9.574 -7.332 1.00 34.50 N ATOM 736 CA PRO A 47 -9.492 10.136 -7.367 1.00 4.10 C ATOM 737 C PRO A 47 -8.587 9.527 -6.296 1.00 32.33 C ATOM 738 O PRO A 47 -9.000 9.283 -5.158 1.00 24.12 O ATOM 739 CB PRO A 47 -9.655 11.645 -7.171 1.00 25.41 C ATOM 740 CG PRO A 47 -10.973 11.769 -6.413 1.00 41.53 C ATOM 741 CD PRO A 47 -11.793 10.585 -6.899 1.00 53.33 C ATOM 0 HA PRO A 47 -9.006 9.911 -8.316 1.00 4.10 H new ATOM 0 HB2 PRO A 47 -8.825 12.067 -6.604 1.00 25.41 H new ATOM 0 HB3 PRO A 47 -9.690 12.172 -8.125 1.00 25.41 H new ATOM 0 HG2 PRO A 47 -10.818 11.731 -5.335 1.00 41.53 H new ATOM 0 HG3 PRO A 47 -11.470 12.714 -6.630 1.00 41.53 H new ATOM 0 HD2 PRO A 47 -12.431 10.201 -6.103 1.00 53.33 H new ATOM 0 HD3 PRO A 47 -12.448 10.877 -7.720 1.00 53.33 H new ATOM 749 N PHE A 48 -7.325 9.321 -6.665 1.00 70.43 N ATOM 750 CA PHE A 48 -6.318 8.578 -5.919 1.00 61.22 C ATOM 751 C PHE A 48 -5.192 9.544 -5.538 1.00 11.31 C ATOM 752 O PHE A 48 -4.240 9.738 -6.298 1.00 24.30 O ATOM 753 CB PHE A 48 -5.790 7.408 -6.778 1.00 54.25 C ATOM 754 CG PHE A 48 -5.912 7.594 -8.285 1.00 23.53 C ATOM 755 CD1 PHE A 48 -7.134 7.346 -8.923 1.00 63.55 C ATOM 756 CD2 PHE A 48 -4.837 8.066 -9.047 1.00 71.43 C ATOM 757 CE1 PHE A 48 -7.264 7.532 -10.310 1.00 71.24 C ATOM 758 CE2 PHE A 48 -4.963 8.275 -10.430 1.00 31.50 C ATOM 759 CZ PHE A 48 -6.176 7.990 -11.067 1.00 14.41 C ATOM 0 H PHE A 48 -6.959 9.690 -7.543 1.00 70.43 H new ATOM 0 HA PHE A 48 -6.746 8.153 -5.011 1.00 61.22 H new ATOM 0 HB2 PHE A 48 -4.740 7.245 -6.533 1.00 54.25 H new ATOM 0 HB3 PHE A 48 -6.327 6.502 -6.497 1.00 54.25 H new ATOM 0 HD1 PHE A 48 -7.982 7.010 -8.345 1.00 63.55 H new ATOM 0 HD2 PHE A 48 -3.894 8.273 -8.563 1.00 71.43 H new ATOM 0 HE1 PHE A 48 -8.206 7.321 -10.795 1.00 71.24 H new ATOM 0 HE2 PHE A 48 -4.127 8.654 -11.000 1.00 31.50 H new ATOM 0 HZ PHE A 48 -6.274 8.122 -12.134 1.00 14.41 H new ATOM 769 N THR A 49 -5.308 10.183 -4.379 1.00 61.21 N ATOM 770 CA THR A 49 -4.441 11.276 -3.948 1.00 71.32 C ATOM 771 C THR A 49 -3.839 10.968 -2.568 1.00 3.24 C ATOM 772 O THR A 49 -4.140 9.934 -1.968 1.00 31.44 O ATOM 773 CB THR A 49 -5.269 12.575 -3.979 1.00 31.52 C ATOM 774 OG1 THR A 49 -6.497 12.396 -3.297 1.00 14.13 O ATOM 775 CG2 THR A 49 -5.578 13.013 -5.418 1.00 14.20 C ATOM 0 H THR A 49 -6.027 9.949 -3.694 1.00 61.21 H new ATOM 0 HA THR A 49 -3.590 11.398 -4.618 1.00 71.32 H new ATOM 0 HB THR A 49 -4.672 13.344 -3.489 1.00 31.52 H new ATOM 0 HG1 THR A 49 -7.011 13.230 -3.324 1.00 14.13 H new ATOM 0 HG21 THR A 49 -6.163 13.932 -5.401 1.00 14.20 H new ATOM 0 HG22 THR A 49 -4.645 13.187 -5.954 1.00 14.20 H new ATOM 0 HG23 THR A 49 -6.146 12.231 -5.922 1.00 14.20 H new ATOM 783 N ARG A 50 -2.977 11.852 -2.046 1.00 4.34 N ATOM 784 CA ARG A 50 -2.340 11.658 -0.739 1.00 21.14 C ATOM 785 C ARG A 50 -3.382 11.525 0.375 1.00 51.52 C ATOM 786 O ARG A 50 -3.185 10.756 1.310 1.00 34.34 O ATOM 787 CB ARG A 50 -1.359 12.817 -0.472 1.00 73.44 C ATOM 788 CG ARG A 50 -0.672 12.687 0.894 1.00 30.24 C ATOM 789 CD ARG A 50 0.422 13.737 1.107 1.00 74.44 C ATOM 790 NE ARG A 50 0.717 13.890 2.538 1.00 70.13 N ATOM 791 CZ ARG A 50 1.680 14.607 3.121 1.00 63.01 C ATOM 792 NH1 ARG A 50 2.617 15.208 2.388 1.00 24.41 N ATOM 793 NH2 ARG A 50 1.688 14.690 4.446 1.00 72.04 N ATOM 0 H ARG A 50 -2.704 12.715 -2.515 1.00 4.34 H new ATOM 0 HA ARG A 50 -1.779 10.723 -0.750 1.00 21.14 H new ATOM 0 HB2 ARG A 50 -0.603 12.840 -1.257 1.00 73.44 H new ATOM 0 HB3 ARG A 50 -1.896 13.764 -0.519 1.00 73.44 H new ATOM 0 HG2 ARG A 50 -1.419 12.781 1.682 1.00 30.24 H new ATOM 0 HG3 ARG A 50 -0.237 11.692 0.984 1.00 30.24 H new ATOM 0 HD2 ARG A 50 1.325 13.443 0.573 1.00 74.44 H new ATOM 0 HD3 ARG A 50 0.103 14.693 0.691 1.00 74.44 H new ATOM 0 HE ARG A 50 0.103 13.379 3.172 1.00 70.13 H new ATOM 0 HH11 ARG A 50 2.602 15.122 1.372 1.00 24.41 H new ATOM 0 HH12 ARG A 50 3.349 15.754 2.843 1.00 24.41 H new ATOM 0 HH21 ARG A 50 0.970 14.213 4.991 1.00 72.04 H new ATOM 0 HH22 ARG A 50 2.412 15.231 4.919 1.00 72.04 H new ATOM 807 N GLU A 51 -4.507 12.227 0.248 1.00 22.10 N ATOM 808 CA GLU A 51 -5.545 12.413 1.262 1.00 61.41 C ATOM 809 C GLU A 51 -6.458 11.176 1.393 1.00 72.04 C ATOM 810 O GLU A 51 -7.657 11.292 1.643 1.00 1.42 O ATOM 811 CB GLU A 51 -6.329 13.678 0.866 1.00 50.51 C ATOM 812 CG GLU A 51 -7.025 14.364 2.052 1.00 12.24 C ATOM 813 CD GLU A 51 -6.644 15.852 2.130 1.00 45.14 C ATOM 814 OE1 GLU A 51 -5.441 16.193 2.264 1.00 31.20 O ATOM 815 OE2 GLU A 51 -7.523 16.720 1.910 1.00 62.42 O ATOM 0 H GLU A 51 -4.733 12.712 -0.621 1.00 22.10 H new ATOM 0 HA GLU A 51 -5.099 12.535 2.249 1.00 61.41 H new ATOM 0 HB2 GLU A 51 -5.647 14.386 0.396 1.00 50.51 H new ATOM 0 HB3 GLU A 51 -7.078 13.413 0.119 1.00 50.51 H new ATOM 0 HG2 GLU A 51 -8.106 14.267 1.950 1.00 12.24 H new ATOM 0 HG3 GLU A 51 -6.746 13.865 2.980 1.00 12.24 H new ATOM 822 N LYS A 52 -5.922 9.985 1.131 1.00 50.44 N ATOM 823 CA LYS A 52 -6.516 8.675 1.396 1.00 4.51 C ATOM 824 C LYS A 52 -5.384 7.651 1.571 1.00 51.23 C ATOM 825 O LYS A 52 -5.485 6.509 1.117 1.00 54.14 O ATOM 826 CB LYS A 52 -7.556 8.310 0.322 1.00 14.11 C ATOM 827 CG LYS A 52 -7.048 8.533 -1.106 1.00 64.11 C ATOM 828 CD LYS A 52 -7.826 7.710 -2.127 1.00 63.44 C ATOM 829 CE LYS A 52 -9.335 7.925 -2.270 1.00 65.02 C ATOM 830 NZ LYS A 52 -9.778 9.324 -2.411 1.00 21.04 N ATOM 0 H LYS A 52 -5.001 9.904 0.700 1.00 50.44 H new ATOM 0 HA LYS A 52 -7.084 8.685 2.326 1.00 4.51 H new ATOM 0 HB2 LYS A 52 -7.841 7.265 0.441 1.00 14.11 H new ATOM 0 HB3 LYS A 52 -8.456 8.905 0.478 1.00 14.11 H new ATOM 0 HG2 LYS A 52 -7.127 9.591 -1.357 1.00 64.11 H new ATOM 0 HG3 LYS A 52 -5.991 8.271 -1.159 1.00 64.11 H new ATOM 0 HD2 LYS A 52 -7.376 7.889 -3.103 1.00 63.44 H new ATOM 0 HD3 LYS A 52 -7.666 6.658 -1.890 1.00 63.44 H new ATOM 0 HE2 LYS A 52 -9.681 7.366 -3.139 1.00 65.02 H new ATOM 0 HE3 LYS A 52 -9.827 7.495 -1.398 1.00 65.02 H new ATOM 0 HZ1 LYS A 52 -10.793 9.390 -2.196 1.00 21.04 H new ATOM 0 HZ2 LYS A 52 -9.245 9.925 -1.751 1.00 21.04 H new ATOM 0 HZ3 LYS A 52 -9.609 9.645 -3.386 1.00 21.04 H new ATOM 844 N TRP A 53 -4.255 8.060 2.148 1.00 54.44 N ATOM 845 CA TRP A 53 -3.143 7.163 2.457 1.00 54.23 C ATOM 846 C TRP A 53 -3.196 6.709 3.926 1.00 63.41 C ATOM 847 O TRP A 53 -3.846 7.338 4.760 1.00 45.13 O ATOM 848 CB TRP A 53 -1.832 7.908 2.172 1.00 31.40 C ATOM 849 CG TRP A 53 -0.629 7.023 2.136 1.00 30.43 C ATOM 850 CD1 TRP A 53 0.329 6.925 3.087 1.00 64.12 C ATOM 851 CD2 TRP A 53 -0.353 5.970 1.176 1.00 31.20 C ATOM 852 NE1 TRP A 53 1.128 5.822 2.826 1.00 3.50 N ATOM 853 CE2 TRP A 53 0.715 5.172 1.682 1.00 45.21 C ATOM 854 CE3 TRP A 53 -0.960 5.567 -0.031 1.00 70.02 C ATOM 855 CZ2 TRP A 53 1.120 3.984 1.056 1.00 72.03 C ATOM 856 CZ3 TRP A 53 -0.520 4.415 -0.695 1.00 70.14 C ATOM 857 CH2 TRP A 53 0.508 3.620 -0.155 1.00 44.15 C ATOM 0 H TRP A 53 -4.085 9.029 2.416 1.00 54.44 H new ATOM 0 HA TRP A 53 -3.209 6.269 1.837 1.00 54.23 H new ATOM 0 HB2 TRP A 53 -1.920 8.425 1.216 1.00 31.40 H new ATOM 0 HB3 TRP A 53 -1.686 8.672 2.936 1.00 31.40 H new ATOM 0 HD1 TRP A 53 0.452 7.601 3.920 1.00 64.12 H new ATOM 0 HE1 TRP A 53 1.916 5.530 3.404 1.00 3.50 H new ATOM 0 HE3 TRP A 53 -1.769 6.150 -0.446 1.00 70.02 H new ATOM 0 HZ2 TRP A 53 1.886 3.362 1.496 1.00 72.03 H new ATOM 0 HZ3 TRP A 53 -0.975 4.133 -1.633 1.00 70.14 H new ATOM 0 HH2 TRP A 53 0.827 2.728 -0.673 1.00 44.15 H new ATOM 868 N ALA A 54 -2.435 5.664 4.241 1.00 12.23 N ATOM 869 CA ALA A 54 -2.136 5.144 5.564 1.00 33.12 C ATOM 870 C ALA A 54 -0.816 4.464 5.487 1.00 72.43 C ATOM 871 O ALA A 54 -0.338 4.028 4.433 1.00 63.43 O ATOM 872 CB ALA A 54 -3.121 4.038 5.974 1.00 70.41 C ATOM 0 H ALA A 54 -1.975 5.117 3.513 1.00 12.23 H new ATOM 0 HA ALA A 54 -2.178 5.974 6.269 1.00 33.12 H new ATOM 0 HB1 ALA A 54 -2.865 3.674 6.969 1.00 70.41 H new ATOM 0 HB2 ALA A 54 -4.135 4.439 5.983 1.00 70.41 H new ATOM 0 HB3 ALA A 54 -3.063 3.216 5.261 1.00 70.41 H new ATOM 878 N LEU A 55 -0.261 4.459 6.675 1.00 45.53 N ATOM 879 CA LEU A 55 1.116 4.191 6.881 1.00 50.21 C ATOM 880 C LEU A 55 1.280 2.708 7.133 1.00 71.42 C ATOM 881 O LEU A 55 0.305 2.010 7.435 1.00 21.24 O ATOM 882 CB LEU A 55 1.609 5.119 7.983 1.00 31.32 C ATOM 883 CG LEU A 55 1.198 6.604 7.835 1.00 65.15 C ATOM 884 CD1 LEU A 55 1.165 7.172 6.424 1.00 70.42 C ATOM 885 CD2 LEU A 55 0.062 7.108 8.709 1.00 3.52 C ATOM 0 H LEU A 55 -0.777 4.647 7.535 1.00 45.53 H new ATOM 0 HA LEU A 55 1.743 4.402 6.015 1.00 50.21 H new ATOM 0 HB2 LEU A 55 1.236 4.750 8.939 1.00 31.32 H new ATOM 0 HB3 LEU A 55 2.697 5.063 8.022 1.00 31.32 H new ATOM 0 HG LEU A 55 2.084 7.051 8.286 1.00 65.15 H new ATOM 0 HD11 LEU A 55 0.862 8.219 6.460 1.00 70.42 H new ATOM 0 HD12 LEU A 55 2.157 7.096 5.978 1.00 70.42 H new ATOM 0 HD13 LEU A 55 0.452 6.609 5.822 1.00 70.42 H new ATOM 0 HD21 LEU A 55 -0.118 8.163 8.500 1.00 3.52 H new ATOM 0 HD22 LEU A 55 -0.842 6.537 8.496 1.00 3.52 H new ATOM 0 HD23 LEU A 55 0.329 6.987 9.759 1.00 3.52 H new ATOM 897 N LEU A 56 2.496 2.219 6.890 1.00 63.24 N ATOM 898 CA LEU A 56 2.808 0.787 6.958 1.00 43.21 C ATOM 899 C LEU A 56 4.032 0.575 7.848 1.00 62.30 C ATOM 900 O LEU A 56 5.008 1.322 7.727 1.00 21.22 O ATOM 901 CB LEU A 56 3.085 0.253 5.547 1.00 61.44 C ATOM 902 CG LEU A 56 1.918 0.323 4.543 1.00 33.25 C ATOM 903 CD1 LEU A 56 2.454 -0.100 3.180 1.00 33.44 C ATOM 904 CD2 LEU A 56 0.785 -0.646 4.888 1.00 34.24 C ATOM 0 H LEU A 56 3.294 2.803 6.640 1.00 63.24 H new ATOM 0 HA LEU A 56 1.960 0.248 7.381 1.00 43.21 H new ATOM 0 HB2 LEU A 56 3.926 0.808 5.131 1.00 61.44 H new ATOM 0 HB3 LEU A 56 3.400 -0.787 5.632 1.00 61.44 H new ATOM 0 HG LEU A 56 1.526 1.340 4.561 1.00 33.25 H new ATOM 0 HD11 LEU A 56 1.650 -0.061 2.445 1.00 33.44 H new ATOM 0 HD12 LEU A 56 3.255 0.575 2.878 1.00 33.44 H new ATOM 0 HD13 LEU A 56 2.841 -1.117 3.241 1.00 33.44 H new ATOM 0 HD21 LEU A 56 -0.010 -0.554 4.148 1.00 34.24 H new ATOM 0 HD22 LEU A 56 1.166 -1.667 4.886 1.00 34.24 H new ATOM 0 HD23 LEU A 56 0.391 -0.408 5.876 1.00 34.24 H new ATOM 916 N ASP A 57 3.987 -0.436 8.720 1.00 10.51 N ATOM 917 CA ASP A 57 5.042 -0.772 9.674 1.00 2.55 C ATOM 918 C ASP A 57 6.056 -1.726 9.049 1.00 33.23 C ATOM 919 O ASP A 57 5.849 -2.279 7.965 1.00 5.32 O ATOM 920 CB ASP A 57 4.456 -1.444 10.927 1.00 63.34 C ATOM 921 CG ASP A 57 3.435 -0.592 11.669 1.00 13.53 C ATOM 922 OD1 ASP A 57 2.223 -0.717 11.388 1.00 51.53 O ATOM 923 OD2 ASP A 57 3.856 0.107 12.617 1.00 62.41 O ATOM 0 H ASP A 57 3.186 -1.064 8.781 1.00 10.51 H new ATOM 0 HA ASP A 57 5.533 0.161 9.951 1.00 2.55 H new ATOM 0 HB2 ASP A 57 3.987 -2.384 10.636 1.00 63.34 H new ATOM 0 HB3 ASP A 57 5.270 -1.692 11.608 1.00 63.34 H new ATOM 928 N GLU A 58 7.166 -1.961 9.751 1.00 73.32 N ATOM 929 CA GLU A 58 8.228 -2.818 9.234 1.00 24.05 C ATOM 930 C GLU A 58 7.827 -4.294 9.241 1.00 10.35 C ATOM 931 O GLU A 58 8.362 -5.086 8.468 1.00 42.53 O ATOM 932 CB GLU A 58 9.540 -2.623 9.983 1.00 30.02 C ATOM 933 CG GLU A 58 9.449 -2.465 11.490 1.00 32.03 C ATOM 934 CD GLU A 58 10.845 -2.637 12.096 1.00 44.13 C ATOM 935 OE1 GLU A 58 11.733 -1.769 11.906 1.00 73.02 O ATOM 936 OE2 GLU A 58 11.127 -3.723 12.651 1.00 45.33 O ATOM 0 H GLU A 58 7.350 -1.570 10.675 1.00 73.32 H new ATOM 0 HA GLU A 58 8.385 -2.514 8.199 1.00 24.05 H new ATOM 0 HB2 GLU A 58 10.184 -3.476 9.769 1.00 30.02 H new ATOM 0 HB3 GLU A 58 10.035 -1.740 9.578 1.00 30.02 H new ATOM 0 HG2 GLU A 58 9.048 -1.483 11.742 1.00 32.03 H new ATOM 0 HG3 GLU A 58 8.765 -3.205 11.905 1.00 32.03 H new ATOM 943 N GLU A 59 6.903 -4.668 10.122 1.00 52.54 N ATOM 944 CA GLU A 59 6.262 -5.978 10.105 1.00 11.35 C ATOM 945 C GLU A 59 5.207 -6.099 9.009 1.00 52.21 C ATOM 946 O GLU A 59 4.956 -7.198 8.517 1.00 2.43 O ATOM 947 CB GLU A 59 5.642 -6.276 11.475 1.00 53.21 C ATOM 948 CG GLU A 59 4.564 -5.280 11.949 1.00 45.31 C ATOM 949 CD GLU A 59 3.564 -5.945 12.890 1.00 3.43 C ATOM 950 OE1 GLU A 59 4.002 -6.591 13.868 1.00 72.41 O ATOM 951 OE2 GLU A 59 2.347 -5.857 12.602 1.00 63.42 O ATOM 0 H GLU A 59 6.575 -4.063 10.875 1.00 52.54 H new ATOM 0 HA GLU A 59 7.035 -6.714 9.884 1.00 11.35 H new ATOM 0 HB2 GLU A 59 5.202 -7.273 11.446 1.00 53.21 H new ATOM 0 HB3 GLU A 59 6.440 -6.301 12.217 1.00 53.21 H new ATOM 0 HG2 GLU A 59 5.040 -4.441 12.456 1.00 45.31 H new ATOM 0 HG3 GLU A 59 4.038 -4.873 11.085 1.00 45.31 H new ATOM 958 N THR A 60 4.585 -4.992 8.616 1.00 10.31 N ATOM 959 CA THR A 60 3.576 -4.992 7.580 1.00 5.23 C ATOM 960 C THR A 60 4.275 -5.272 6.252 1.00 1.42 C ATOM 961 O THR A 60 3.796 -6.072 5.443 1.00 70.10 O ATOM 962 CB THR A 60 2.871 -3.630 7.591 1.00 53.53 C ATOM 963 OG1 THR A 60 2.442 -3.275 8.892 1.00 25.24 O ATOM 964 CG2 THR A 60 1.676 -3.624 6.657 1.00 34.32 C ATOM 0 H THR A 60 4.772 -4.071 9.012 1.00 10.31 H new ATOM 0 HA THR A 60 2.818 -5.759 7.739 1.00 5.23 H new ATOM 0 HB THR A 60 3.602 -2.897 7.248 1.00 53.53 H new ATOM 0 HG1 THR A 60 1.742 -2.592 8.831 1.00 25.24 H new ATOM 0 HG21 THR A 60 1.196 -2.646 6.686 1.00 34.32 H new ATOM 0 HG22 THR A 60 2.008 -3.836 5.640 1.00 34.32 H new ATOM 0 HG23 THR A 60 0.964 -4.387 6.972 1.00 34.32 H new ATOM 972 N LEU A 61 5.431 -4.642 6.025 1.00 13.35 N ATOM 973 CA LEU A 61 6.183 -4.752 4.793 1.00 52.21 C ATOM 974 C LEU A 61 7.330 -5.724 5.020 1.00 2.42 C ATOM 975 O LEU A 61 8.508 -5.371 4.878 1.00 22.32 O ATOM 976 CB LEU A 61 6.659 -3.358 4.401 1.00 71.42 C ATOM 977 CG LEU A 61 5.530 -2.434 3.925 1.00 50.33 C ATOM 978 CD1 LEU A 61 5.920 -0.991 4.206 1.00 14.52 C ATOM 979 CD2 LEU A 61 5.338 -2.602 2.427 1.00 51.41 C ATOM 0 H LEU A 61 5.871 -4.031 6.713 1.00 13.35 H new ATOM 0 HA LEU A 61 5.579 -5.140 3.973 1.00 52.21 H new ATOM 0 HB2 LEU A 61 7.156 -2.899 5.256 1.00 71.42 H new ATOM 0 HB3 LEU A 61 7.403 -3.447 3.609 1.00 71.42 H new ATOM 0 HG LEU A 61 4.607 -2.686 4.448 1.00 50.33 H new ATOM 0 HD11 LEU A 61 5.123 -0.327 3.871 1.00 14.52 H new ATOM 0 HD12 LEU A 61 6.077 -0.858 5.276 1.00 14.52 H new ATOM 0 HD13 LEU A 61 6.840 -0.752 3.672 1.00 14.52 H new ATOM 0 HD21 LEU A 61 4.536 -1.946 2.087 1.00 51.41 H new ATOM 0 HD22 LEU A 61 6.262 -2.343 1.910 1.00 51.41 H new ATOM 0 HD23 LEU A 61 5.078 -3.637 2.207 1.00 51.41 H new ATOM 991 N LYS A 62 6.979 -6.957 5.378 1.00 33.44 N ATOM 992 CA LYS A 62 7.926 -8.054 5.506 1.00 33.02 C ATOM 993 C LYS A 62 7.534 -9.138 4.531 1.00 23.05 C ATOM 994 O LYS A 62 6.359 -9.282 4.196 1.00 12.15 O ATOM 995 CB LYS A 62 7.926 -8.621 6.928 1.00 24.02 C ATOM 996 CG LYS A 62 9.286 -8.503 7.617 1.00 53.12 C ATOM 997 CD LYS A 62 9.192 -8.994 9.070 1.00 34.43 C ATOM 998 CE LYS A 62 10.349 -8.446 9.910 1.00 11.45 C ATOM 999 NZ LYS A 62 10.211 -8.823 11.331 1.00 11.33 N ATOM 0 H LYS A 62 6.017 -7.222 5.589 1.00 33.44 H new ATOM 0 HA LYS A 62 8.929 -7.686 5.291 1.00 33.02 H new ATOM 0 HB2 LYS A 62 7.177 -8.098 7.522 1.00 24.02 H new ATOM 0 HB3 LYS A 62 7.631 -9.670 6.895 1.00 24.02 H new ATOM 0 HG2 LYS A 62 10.028 -9.089 7.075 1.00 53.12 H new ATOM 0 HG3 LYS A 62 9.623 -7.466 7.597 1.00 53.12 H new ATOM 0 HD2 LYS A 62 8.243 -8.680 9.503 1.00 34.43 H new ATOM 0 HD3 LYS A 62 9.207 -10.084 9.091 1.00 34.43 H new ATOM 0 HE2 LYS A 62 11.294 -8.826 9.522 1.00 11.45 H new ATOM 0 HE3 LYS A 62 10.382 -7.360 9.822 1.00 11.45 H new ATOM 0 HZ1 LYS A 62 11.011 -8.436 11.872 1.00 11.33 H new ATOM 0 HZ2 LYS A 62 9.321 -8.439 11.707 1.00 11.33 H new ATOM 0 HZ3 LYS A 62 10.205 -9.859 11.416 1.00 11.33 H new ATOM 1013 N GLU A 63 8.512 -9.928 4.118 1.00 63.23 N ATOM 1014 CA GLU A 63 8.289 -11.072 3.248 1.00 21.42 C ATOM 1015 C GLU A 63 8.238 -12.324 4.127 1.00 33.24 C ATOM 1016 O GLU A 63 9.070 -12.474 5.027 1.00 23.03 O ATOM 1017 CB GLU A 63 9.385 -11.198 2.174 1.00 23.54 C ATOM 1018 CG GLU A 63 10.005 -9.892 1.654 1.00 14.21 C ATOM 1019 CD GLU A 63 11.163 -9.378 2.513 1.00 25.42 C ATOM 1020 OE1 GLU A 63 12.043 -10.193 2.875 1.00 50.30 O ATOM 1021 OE2 GLU A 63 11.186 -8.165 2.841 1.00 5.44 O ATOM 0 H GLU A 63 9.489 -9.793 4.378 1.00 63.23 H new ATOM 0 HA GLU A 63 7.349 -10.944 2.711 1.00 21.42 H new ATOM 0 HB2 GLU A 63 10.187 -11.816 2.579 1.00 23.54 H new ATOM 0 HB3 GLU A 63 8.966 -11.736 1.324 1.00 23.54 H new ATOM 0 HG2 GLU A 63 10.361 -10.049 0.636 1.00 14.21 H new ATOM 0 HG3 GLU A 63 9.231 -9.126 1.607 1.00 14.21 H new ATOM 1028 N GLY A 64 7.325 -13.258 3.862 1.00 65.33 N ATOM 1029 CA GLY A 64 7.292 -14.531 4.569 1.00 24.15 C ATOM 1030 C GLY A 64 6.014 -15.299 4.280 1.00 34.23 C ATOM 1031 O GLY A 64 5.211 -14.888 3.446 1.00 2.43 O ATOM 0 H GLY A 64 6.595 -13.152 3.157 1.00 65.33 H new ATOM 0 HA2 GLY A 64 8.153 -15.133 4.276 1.00 24.15 H new ATOM 0 HA3 GLY A 64 7.376 -14.354 5.641 1.00 24.15 H new ATOM 1035 N ARG A 65 5.823 -16.419 4.980 1.00 13.22 N ATOM 1036 CA ARG A 65 4.595 -17.209 4.984 1.00 0.12 C ATOM 1037 C ARG A 65 4.122 -17.296 6.421 1.00 32.34 C ATOM 1038 O ARG A 65 4.839 -17.847 7.267 1.00 43.31 O ATOM 1039 CB ARG A 65 4.844 -18.620 4.450 1.00 74.30 C ATOM 1040 CG ARG A 65 4.915 -18.655 2.924 1.00 44.52 C ATOM 1041 CD ARG A 65 6.139 -19.432 2.442 1.00 73.32 C ATOM 1042 NE ARG A 65 6.114 -20.828 2.902 1.00 64.41 N ATOM 1043 CZ ARG A 65 6.936 -21.795 2.494 1.00 31.21 C ATOM 1044 NH1 ARG A 65 7.932 -21.526 1.658 1.00 41.34 N ATOM 1045 NH2 ARG A 65 6.748 -23.021 2.951 1.00 71.42 N ATOM 0 H ARG A 65 6.547 -16.813 5.581 1.00 13.22 H new ATOM 0 HA ARG A 65 3.851 -16.737 4.343 1.00 0.12 H new ATOM 0 HB2 ARG A 65 5.776 -19.004 4.864 1.00 74.30 H new ATOM 0 HB3 ARG A 65 4.047 -19.281 4.790 1.00 74.30 H new ATOM 0 HG2 ARG A 65 4.010 -19.115 2.526 1.00 44.52 H new ATOM 0 HG3 ARG A 65 4.952 -17.637 2.536 1.00 44.52 H new ATOM 0 HD2 ARG A 65 6.179 -19.409 1.353 1.00 73.32 H new ATOM 0 HD3 ARG A 65 7.045 -18.946 2.805 1.00 73.32 H new ATOM 0 HE ARG A 65 5.407 -21.078 3.593 1.00 64.41 H new ATOM 0 HH11 ARG A 65 8.073 -20.573 1.323 1.00 41.34 H new ATOM 0 HH12 ARG A 65 8.556 -22.272 1.351 1.00 41.34 H new ATOM 0 HH21 ARG A 65 5.986 -23.211 3.602 1.00 71.42 H new ATOM 0 HH22 ARG A 65 7.365 -23.777 2.653 1.00 71.42 H new ATOM 1059 N THR A 66 2.931 -16.796 6.684 1.00 71.12 N ATOM 1060 CA THR A 66 2.198 -17.018 7.926 1.00 0.12 C ATOM 1061 C THR A 66 1.281 -18.244 7.719 1.00 32.03 C ATOM 1062 O THR A 66 1.184 -18.756 6.595 1.00 54.20 O ATOM 1063 CB THR A 66 1.515 -15.684 8.307 1.00 73.14 C ATOM 1064 OG1 THR A 66 2.539 -14.711 8.469 1.00 35.13 O ATOM 1065 CG2 THR A 66 0.689 -15.700 9.594 1.00 24.25 C ATOM 0 H THR A 66 2.427 -16.205 6.023 1.00 71.12 H new ATOM 0 HA THR A 66 2.818 -17.275 8.785 1.00 0.12 H new ATOM 0 HB THR A 66 0.810 -15.470 7.503 1.00 73.14 H new ATOM 0 HG1 THR A 66 2.137 -13.850 8.710 1.00 35.13 H new ATOM 0 HG21 THR A 66 0.258 -14.713 9.762 1.00 24.25 H new ATOM 0 HG22 THR A 66 -0.111 -16.435 9.504 1.00 24.25 H new ATOM 0 HG23 THR A 66 1.331 -15.963 10.435 1.00 24.25 H new ATOM 1146 N THR A 73 -2.243 -20.314 4.245 1.00 43.24 N ATOM 1147 CA THR A 73 -0.871 -19.829 4.161 1.00 33.12 C ATOM 1148 C THR A 73 -0.862 -18.417 3.553 1.00 71.14 C ATOM 1149 O THR A 73 -1.024 -18.272 2.341 1.00 31.34 O ATOM 1150 CB THR A 73 -0.039 -20.836 3.340 1.00 42.50 C ATOM 1151 OG1 THR A 73 -0.183 -22.148 3.863 1.00 72.00 O ATOM 1152 CG2 THR A 73 1.458 -20.517 3.351 1.00 40.22 C ATOM 0 HA THR A 73 -0.420 -19.753 5.151 1.00 33.12 H new ATOM 0 HB THR A 73 -0.418 -20.765 2.320 1.00 42.50 H new ATOM 0 HG1 THR A 73 -1.114 -22.293 4.131 1.00 72.00 H new ATOM 0 HG21 THR A 73 1.992 -21.259 2.757 1.00 40.22 H new ATOM 0 HG22 THR A 73 1.622 -19.526 2.927 1.00 40.22 H new ATOM 0 HG23 THR A 73 1.827 -20.539 4.376 1.00 40.22 H new ATOM 1160 N TYR A 74 -0.697 -17.372 4.370 1.00 60.22 N ATOM 1161 CA TYR A 74 -0.591 -15.987 3.913 1.00 64.42 C ATOM 1162 C TYR A 74 0.852 -15.686 3.526 1.00 1.53 C ATOM 1163 O TYR A 74 1.730 -15.600 4.392 1.00 20.14 O ATOM 1164 CB TYR A 74 -1.051 -15.032 5.012 1.00 31.24 C ATOM 1165 CG TYR A 74 -1.055 -13.568 4.638 1.00 71.00 C ATOM 1166 CD1 TYR A 74 -1.867 -13.122 3.581 1.00 50.13 C ATOM 1167 CD2 TYR A 74 -0.311 -12.646 5.396 1.00 12.32 C ATOM 1168 CE1 TYR A 74 -1.986 -11.747 3.311 1.00 43.53 C ATOM 1169 CE2 TYR A 74 -0.429 -11.272 5.136 1.00 44.50 C ATOM 1170 CZ TYR A 74 -1.295 -10.815 4.119 1.00 45.33 C ATOM 1171 OH TYR A 74 -1.471 -9.476 3.945 1.00 14.35 O ATOM 0 H TYR A 74 -0.633 -17.469 5.383 1.00 60.22 H new ATOM 0 HA TYR A 74 -1.232 -15.848 3.042 1.00 64.42 H new ATOM 0 HB2 TYR A 74 -2.059 -15.314 5.317 1.00 31.24 H new ATOM 0 HB3 TYR A 74 -0.406 -15.166 5.880 1.00 31.24 H new ATOM 0 HD1 TYR A 74 -2.401 -13.838 2.974 1.00 50.13 H new ATOM 0 HD2 TYR A 74 0.349 -12.995 6.176 1.00 12.32 H new ATOM 0 HE1 TYR A 74 -2.601 -11.405 2.492 1.00 43.53 H new ATOM 0 HE2 TYR A 74 0.144 -10.563 5.715 1.00 44.50 H new ATOM 0 HH TYR A 74 -0.917 -8.987 4.589 1.00 14.35 H new ATOM 1181 N ILE A 75 1.125 -15.562 2.233 1.00 74.40 N ATOM 1182 CA ILE A 75 2.441 -15.231 1.717 1.00 62.11 C ATOM 1183 C ILE A 75 2.535 -13.713 1.576 1.00 3.23 C ATOM 1184 O ILE A 75 1.539 -13.036 1.318 1.00 2.35 O ATOM 1185 CB ILE A 75 2.662 -15.981 0.386 1.00 54.30 C ATOM 1186 CG1 ILE A 75 2.581 -17.506 0.635 1.00 54.40 C ATOM 1187 CG2 ILE A 75 4.014 -15.668 -0.277 1.00 65.51 C ATOM 1188 CD1 ILE A 75 1.454 -18.159 -0.146 1.00 61.50 C ATOM 0 H ILE A 75 0.424 -15.692 1.504 1.00 74.40 H new ATOM 0 HA ILE A 75 3.234 -15.547 2.394 1.00 62.11 H new ATOM 0 HB ILE A 75 1.879 -15.642 -0.292 1.00 54.30 H new ATOM 0 HG12 ILE A 75 3.528 -17.968 0.357 1.00 54.40 H new ATOM 0 HG13 ILE A 75 2.437 -17.691 1.700 1.00 54.40 H new ATOM 0 HG21 ILE A 75 4.102 -16.229 -1.207 1.00 65.51 H new ATOM 0 HG22 ILE A 75 4.077 -14.601 -0.490 1.00 65.51 H new ATOM 0 HG23 ILE A 75 4.823 -15.952 0.396 1.00 65.51 H new ATOM 0 HD11 ILE A 75 1.439 -19.229 0.063 1.00 61.50 H new ATOM 0 HD12 ILE A 75 0.502 -17.718 0.151 1.00 61.50 H new ATOM 0 HD13 ILE A 75 1.611 -18.000 -1.213 1.00 61.50 H new ATOM 1200 N SER A 76 3.752 -13.187 1.685 1.00 54.33 N ATOM 1201 CA SER A 76 4.125 -11.863 1.226 1.00 63.11 C ATOM 1202 C SER A 76 5.500 -11.954 0.563 1.00 13.14 C ATOM 1203 O SER A 76 6.376 -12.697 1.032 1.00 21.33 O ATOM 1204 CB SER A 76 4.097 -10.879 2.395 1.00 5.44 C ATOM 1205 OG SER A 76 4.860 -11.351 3.491 1.00 61.02 O ATOM 0 H SER A 76 4.529 -13.693 2.111 1.00 54.33 H new ATOM 0 HA SER A 76 3.415 -11.489 0.488 1.00 63.11 H new ATOM 0 HB2 SER A 76 4.486 -9.914 2.069 1.00 5.44 H new ATOM 0 HB3 SER A 76 3.066 -10.717 2.711 1.00 5.44 H new ATOM 0 HG SER A 76 5.437 -10.631 3.822 1.00 61.02 H new ATOM 1211 N HIS A 77 5.695 -11.232 -0.541 1.00 25.13 N ATOM 1212 CA HIS A 77 6.943 -11.221 -1.298 1.00 62.51 C ATOM 1213 C HIS A 77 6.962 -10.092 -2.325 1.00 23.53 C ATOM 1214 O HIS A 77 5.935 -9.495 -2.659 1.00 22.43 O ATOM 1215 CB HIS A 77 7.199 -12.578 -1.998 1.00 22.52 C ATOM 1216 CG HIS A 77 6.071 -13.203 -2.792 1.00 21.43 C ATOM 1217 ND1 HIS A 77 6.087 -14.492 -3.280 1.00 32.14 N ATOM 1218 CD2 HIS A 77 4.863 -12.652 -3.140 1.00 71.31 C ATOM 1219 CE1 HIS A 77 4.909 -14.719 -3.880 1.00 23.41 C ATOM 1220 NE2 HIS A 77 4.136 -13.624 -3.832 1.00 1.35 N ATOM 0 H HIS A 77 4.976 -10.628 -0.940 1.00 25.13 H new ATOM 0 HA HIS A 77 7.745 -11.050 -0.580 1.00 62.51 H new ATOM 0 HB2 HIS A 77 8.047 -12.450 -2.671 1.00 22.52 H new ATOM 0 HB3 HIS A 77 7.503 -13.293 -1.234 1.00 22.52 H new ATOM 0 HD2 HIS A 77 4.534 -11.648 -2.919 1.00 71.31 H new ATOM 0 HE1 HIS A 77 4.623 -15.654 -4.338 1.00 23.41 H new ATOM 0 HE2 HIS A 77 3.200 -13.521 -4.224 1.00 1.35 H new ATOM 1228 N PHE A 78 8.154 -9.833 -2.859 1.00 62.52 N ATOM 1229 CA PHE A 78 8.312 -9.143 -4.130 1.00 10.05 C ATOM 1230 C PHE A 78 8.186 -10.198 -5.232 1.00 3.05 C ATOM 1231 O PHE A 78 8.865 -11.224 -5.169 1.00 73.52 O ATOM 1232 CB PHE A 78 9.659 -8.405 -4.187 1.00 14.02 C ATOM 1233 CG PHE A 78 9.808 -7.335 -3.118 1.00 63.30 C ATOM 1234 CD1 PHE A 78 10.289 -7.678 -1.842 1.00 45.30 C ATOM 1235 CD2 PHE A 78 9.400 -6.011 -3.365 1.00 51.44 C ATOM 1236 CE1 PHE A 78 10.358 -6.707 -0.830 1.00 61.12 C ATOM 1237 CE2 PHE A 78 9.463 -5.040 -2.350 1.00 53.03 C ATOM 1238 CZ PHE A 78 9.947 -5.387 -1.079 1.00 73.40 C ATOM 0 H PHE A 78 9.036 -10.097 -2.420 1.00 62.52 H new ATOM 0 HA PHE A 78 7.546 -8.379 -4.260 1.00 10.05 H new ATOM 0 HB2 PHE A 78 10.466 -9.129 -4.080 1.00 14.02 H new ATOM 0 HB3 PHE A 78 9.771 -7.945 -5.169 1.00 14.02 H new ATOM 0 HD1 PHE A 78 10.606 -8.690 -1.640 1.00 45.30 H new ATOM 0 HD2 PHE A 78 9.035 -5.738 -4.344 1.00 51.44 H new ATOM 0 HE1 PHE A 78 10.730 -6.977 0.147 1.00 61.12 H new ATOM 0 HE2 PHE A 78 9.139 -4.029 -2.548 1.00 53.03 H new ATOM 0 HZ PHE A 78 10.003 -4.644 -0.297 1.00 73.40 H new ATOM 1248 N THR A 79 7.316 -9.977 -6.212 1.00 13.03 N ATOM 1249 CA THR A 79 7.062 -10.868 -7.340 1.00 74.44 C ATOM 1250 C THR A 79 7.996 -10.560 -8.525 1.00 31.44 C ATOM 1251 O THR A 79 7.949 -11.242 -9.548 1.00 64.20 O ATOM 1252 CB THR A 79 5.567 -10.790 -7.732 1.00 43.22 C ATOM 1253 OG1 THR A 79 5.113 -9.457 -7.893 1.00 43.02 O ATOM 1254 CG2 THR A 79 4.664 -11.458 -6.683 1.00 13.25 C ATOM 0 H THR A 79 6.743 -9.134 -6.243 1.00 13.03 H new ATOM 0 HA THR A 79 7.283 -11.893 -7.042 1.00 74.44 H new ATOM 0 HB THR A 79 5.500 -11.317 -8.684 1.00 43.22 H new ATOM 0 HG1 THR A 79 4.165 -9.462 -8.142 1.00 43.02 H new ATOM 0 HG21 THR A 79 3.623 -11.381 -6.997 1.00 13.25 H new ATOM 0 HG22 THR A 79 4.936 -12.509 -6.585 1.00 13.25 H new ATOM 0 HG23 THR A 79 4.791 -10.959 -5.722 1.00 13.25 H new ATOM 1262 N VAL A 80 8.873 -9.564 -8.384 1.00 2.01 N ATOM 1263 CA VAL A 80 9.745 -9.029 -9.416 1.00 51.00 C ATOM 1264 C VAL A 80 11.054 -8.594 -8.749 1.00 52.11 C ATOM 1265 O VAL A 80 11.056 -8.095 -7.620 1.00 74.11 O ATOM 1266 CB VAL A 80 9.009 -7.874 -10.151 1.00 52.32 C ATOM 1267 CG1 VAL A 80 8.303 -6.925 -9.180 1.00 74.50 C ATOM 1268 CG2 VAL A 80 9.944 -7.054 -11.057 1.00 12.14 C ATOM 0 H VAL A 80 8.996 -9.085 -7.492 1.00 2.01 H new ATOM 0 HA VAL A 80 9.992 -9.772 -10.174 1.00 51.00 H new ATOM 0 HB VAL A 80 8.263 -8.367 -10.775 1.00 52.32 H new ATOM 0 HG11 VAL A 80 7.804 -6.135 -9.741 1.00 74.50 H new ATOM 0 HG12 VAL A 80 7.566 -7.480 -8.600 1.00 74.50 H new ATOM 0 HG13 VAL A 80 9.036 -6.483 -8.506 1.00 74.50 H new ATOM 0 HG21 VAL A 80 9.376 -6.262 -11.544 1.00 12.14 H new ATOM 0 HG22 VAL A 80 10.739 -6.613 -10.455 1.00 12.14 H new ATOM 0 HG23 VAL A 80 10.381 -7.706 -11.814 1.00 12.14 H new ATOM 1278 N ASN A 81 12.158 -8.734 -9.483 1.00 50.42 N ATOM 1279 CA ASN A 81 13.491 -8.269 -9.134 1.00 62.51 C ATOM 1280 C ASN A 81 14.059 -7.690 -10.421 1.00 53.04 C ATOM 1281 O ASN A 81 14.578 -8.439 -11.252 1.00 72.21 O ATOM 1282 CB ASN A 81 14.334 -9.436 -8.587 1.00 21.45 C ATOM 1283 CG ASN A 81 15.823 -9.119 -8.412 1.00 73.31 C ATOM 1284 OD1 ASN A 81 16.340 -9.016 -7.305 1.00 42.10 O ATOM 1285 ND2 ASN A 81 16.588 -9.047 -9.486 1.00 24.42 N ATOM 0 H ASN A 81 12.140 -9.203 -10.389 1.00 50.42 H new ATOM 0 HA ASN A 81 13.487 -7.517 -8.345 1.00 62.51 H new ATOM 0 HB2 ASN A 81 13.925 -9.742 -7.624 1.00 21.45 H new ATOM 0 HB3 ASN A 81 14.234 -10.287 -9.261 1.00 21.45 H new ATOM 0 HD21 ASN A 81 17.594 -8.908 -9.387 1.00 24.42 H new ATOM 0 HD22 ASN A 81 16.173 -9.131 -10.414 1.00 24.42 H new ATOM 1292 N GLU A 82 13.921 -6.383 -10.617 1.00 32.53 N ATOM 1293 CA GLU A 82 14.567 -5.647 -11.698 1.00 14.23 C ATOM 1294 C GLU A 82 15.367 -4.500 -11.077 1.00 54.34 C ATOM 1295 O GLU A 82 15.089 -4.115 -9.936 1.00 54.00 O ATOM 1296 CB GLU A 82 13.507 -5.161 -12.706 1.00 2.15 C ATOM 1297 CG GLU A 82 13.113 -6.239 -13.725 1.00 74.10 C ATOM 1298 CD GLU A 82 14.274 -6.651 -14.644 1.00 61.54 C ATOM 1299 OE1 GLU A 82 15.073 -7.532 -14.246 1.00 61.22 O ATOM 1300 OE2 GLU A 82 14.385 -6.080 -15.754 1.00 2.24 O ATOM 0 H GLU A 82 13.345 -5.793 -10.016 1.00 32.53 H new ATOM 0 HA GLU A 82 15.255 -6.282 -12.256 1.00 14.23 H new ATOM 0 HB2 GLU A 82 12.618 -4.839 -12.164 1.00 2.15 H new ATOM 0 HB3 GLU A 82 13.890 -4.289 -13.237 1.00 2.15 H new ATOM 0 HG2 GLU A 82 12.749 -7.118 -13.193 1.00 74.10 H new ATOM 0 HG3 GLU A 82 12.288 -5.871 -14.334 1.00 74.10 H new ATOM 1307 N PRO A 83 16.363 -3.946 -11.789 1.00 23.14 N ATOM 1308 CA PRO A 83 17.350 -3.037 -11.210 1.00 11.25 C ATOM 1309 C PRO A 83 16.774 -1.710 -10.714 1.00 14.21 C ATOM 1310 O PRO A 83 17.484 -0.989 -10.011 1.00 64.23 O ATOM 1311 CB PRO A 83 18.391 -2.808 -12.315 1.00 3.32 C ATOM 1312 CG PRO A 83 17.618 -3.109 -13.597 1.00 11.23 C ATOM 1313 CD PRO A 83 16.743 -4.271 -13.155 1.00 12.22 C ATOM 0 HA PRO A 83 17.774 -3.485 -10.312 1.00 11.25 H new ATOM 0 HB2 PRO A 83 18.770 -1.786 -12.305 1.00 3.32 H new ATOM 0 HB3 PRO A 83 19.251 -3.468 -12.200 1.00 3.32 H new ATOM 0 HG2 PRO A 83 17.029 -2.255 -13.931 1.00 11.23 H new ATOM 0 HG3 PRO A 83 18.278 -3.382 -14.420 1.00 11.23 H new ATOM 0 HD2 PRO A 83 15.867 -4.374 -13.796 1.00 12.22 H new ATOM 0 HD3 PRO A 83 17.285 -5.215 -13.202 1.00 12.22 H new ATOM 1321 N ALA A 84 15.532 -1.385 -11.088 1.00 52.12 N ATOM 1322 CA ALA A 84 14.869 -0.132 -10.769 1.00 1.13 C ATOM 1323 C ALA A 84 13.339 -0.258 -10.655 1.00 44.43 C ATOM 1324 O ALA A 84 12.675 0.760 -10.453 1.00 10.45 O ATOM 1325 CB ALA A 84 15.255 0.875 -11.856 1.00 65.51 C ATOM 0 H ALA A 84 14.947 -2.013 -11.639 1.00 52.12 H new ATOM 0 HA ALA A 84 15.198 0.198 -9.784 1.00 1.13 H new ATOM 0 HB1 ALA A 84 14.776 1.832 -11.652 1.00 65.51 H new ATOM 0 HB2 ALA A 84 16.337 1.005 -11.863 1.00 65.51 H new ATOM 0 HB3 ALA A 84 14.927 0.505 -12.828 1.00 65.51 H new ATOM 1331 N HIS A 85 12.762 -1.464 -10.770 1.00 31.31 N ATOM 1332 CA HIS A 85 11.322 -1.667 -10.625 1.00 12.35 C ATOM 1333 C HIS A 85 11.113 -2.837 -9.677 1.00 72.34 C ATOM 1334 O HIS A 85 11.747 -3.879 -9.864 1.00 14.23 O ATOM 1335 CB HIS A 85 10.677 -1.944 -11.994 1.00 50.21 C ATOM 1336 CG HIS A 85 9.211 -1.573 -12.072 1.00 23.34 C ATOM 1337 ND1 HIS A 85 8.111 -2.387 -11.871 1.00 25.12 N ATOM 1338 CD2 HIS A 85 8.742 -0.341 -12.434 1.00 3.01 C ATOM 1339 CE1 HIS A 85 7.008 -1.648 -12.093 1.00 41.30 C ATOM 1340 NE2 HIS A 85 7.342 -0.395 -12.463 1.00 22.51 N ATOM 0 H HIS A 85 13.282 -2.319 -10.965 1.00 31.31 H new ATOM 0 HA HIS A 85 10.849 -0.772 -10.221 1.00 12.35 H new ATOM 0 HB2 HIS A 85 11.222 -1.391 -12.759 1.00 50.21 H new ATOM 0 HB3 HIS A 85 10.786 -3.003 -12.228 1.00 50.21 H new ATOM 0 HD2 HIS A 85 9.347 0.525 -12.659 1.00 3.01 H new ATOM 0 HE1 HIS A 85 5.995 -2.009 -11.989 1.00 41.30 H new ATOM 0 HE2 HIS A 85 6.704 0.361 -12.713 1.00 22.51 H new ATOM 1348 N LYS A 86 10.233 -2.696 -8.682 1.00 61.10 N ATOM 1349 CA LYS A 86 9.730 -3.830 -7.907 1.00 3.11 C ATOM 1350 C LYS A 86 8.258 -3.591 -7.591 1.00 65.22 C ATOM 1351 O LYS A 86 7.824 -2.444 -7.509 1.00 45.21 O ATOM 1352 CB LYS A 86 10.539 -4.049 -6.609 1.00 51.32 C ATOM 1353 CG LYS A 86 11.919 -4.680 -6.858 1.00 21.55 C ATOM 1354 CD LYS A 86 12.535 -5.372 -5.629 1.00 4.42 C ATOM 1355 CE LYS A 86 13.212 -4.388 -4.663 1.00 13.44 C ATOM 1356 NZ LYS A 86 12.391 -4.054 -3.479 1.00 1.11 N ATOM 0 H LYS A 86 9.851 -1.795 -8.393 1.00 61.10 H new ATOM 0 HA LYS A 86 9.843 -4.737 -8.501 1.00 3.11 H new ATOM 0 HB2 LYS A 86 10.669 -3.092 -6.103 1.00 51.32 H new ATOM 0 HB3 LYS A 86 9.969 -4.690 -5.936 1.00 51.32 H new ATOM 0 HG2 LYS A 86 11.831 -5.409 -7.664 1.00 21.55 H new ATOM 0 HG3 LYS A 86 12.602 -3.904 -7.203 1.00 21.55 H new ATOM 0 HD2 LYS A 86 11.755 -5.917 -5.097 1.00 4.42 H new ATOM 0 HD3 LYS A 86 13.267 -6.108 -5.962 1.00 4.42 H new ATOM 0 HE2 LYS A 86 14.158 -4.814 -4.329 1.00 13.44 H new ATOM 0 HE3 LYS A 86 13.448 -3.470 -5.201 1.00 13.44 H new ATOM 0 HZ1 LYS A 86 12.448 -3.032 -3.294 1.00 1.11 H new ATOM 0 HZ2 LYS A 86 11.401 -4.319 -3.657 1.00 1.11 H new ATOM 0 HZ3 LYS A 86 12.746 -4.576 -2.652 1.00 1.11 H new ATOM 1370 N GLU A 87 7.511 -4.656 -7.322 1.00 34.35 N ATOM 1371 CA GLU A 87 6.183 -4.600 -6.732 1.00 32.51 C ATOM 1372 C GLU A 87 6.219 -5.511 -5.511 1.00 12.22 C ATOM 1373 O GLU A 87 6.997 -6.466 -5.480 1.00 51.03 O ATOM 1374 CB GLU A 87 5.043 -5.047 -7.675 1.00 70.21 C ATOM 1375 CG GLU A 87 5.239 -4.903 -9.195 1.00 3.11 C ATOM 1376 CD GLU A 87 3.932 -4.586 -9.940 1.00 62.30 C ATOM 1377 OE1 GLU A 87 2.866 -5.160 -9.613 1.00 13.31 O ATOM 1378 OE2 GLU A 87 3.975 -3.741 -10.868 1.00 22.33 O ATOM 0 H GLU A 87 7.823 -5.608 -7.515 1.00 34.35 H new ATOM 0 HA GLU A 87 5.959 -3.561 -6.491 1.00 32.51 H new ATOM 0 HB2 GLU A 87 4.835 -6.097 -7.467 1.00 70.21 H new ATOM 0 HB3 GLU A 87 4.150 -4.485 -7.403 1.00 70.21 H new ATOM 0 HG2 GLU A 87 5.963 -4.112 -9.389 1.00 3.11 H new ATOM 0 HG3 GLU A 87 5.662 -5.826 -9.591 1.00 3.11 H new ATOM 1385 N PHE A 88 5.345 -5.287 -4.539 1.00 50.33 N ATOM 1386 CA PHE A 88 5.119 -6.117 -3.369 1.00 23.51 C ATOM 1387 C PHE A 88 3.698 -6.640 -3.446 1.00 63.42 C ATOM 1388 O PHE A 88 2.819 -5.958 -3.969 1.00 72.10 O ATOM 1389 CB PHE A 88 5.281 -5.279 -2.114 1.00 11.43 C ATOM 1390 CG PHE A 88 5.535 -6.041 -0.826 1.00 54.14 C ATOM 1391 CD1 PHE A 88 6.814 -6.580 -0.624 1.00 50.31 C ATOM 1392 CD2 PHE A 88 4.589 -6.071 0.223 1.00 45.30 C ATOM 1393 CE1 PHE A 88 7.185 -7.074 0.632 1.00 62.54 C ATOM 1394 CE2 PHE A 88 4.955 -6.603 1.477 1.00 30.42 C ATOM 1395 CZ PHE A 88 6.257 -7.080 1.679 1.00 51.22 C ATOM 0 H PHE A 88 4.737 -4.468 -4.550 1.00 50.33 H new ATOM 0 HA PHE A 88 5.833 -6.940 -3.338 1.00 23.51 H new ATOM 0 HB2 PHE A 88 6.107 -4.585 -2.270 1.00 11.43 H new ATOM 0 HB3 PHE A 88 4.381 -4.679 -1.985 1.00 11.43 H new ATOM 0 HD1 PHE A 88 7.517 -6.614 -1.443 1.00 50.31 H new ATOM 0 HD2 PHE A 88 3.591 -5.689 0.066 1.00 45.30 H new ATOM 0 HE1 PHE A 88 8.185 -7.449 0.792 1.00 62.54 H new ATOM 0 HE2 PHE A 88 4.233 -6.643 2.280 1.00 30.42 H new ATOM 0 HZ PHE A 88 6.546 -7.455 2.650 1.00 51.22 H new ATOM 1405 N GLU A 89 3.497 -7.832 -2.904 1.00 5.23 N ATOM 1406 CA GLU A 89 2.229 -8.525 -2.859 1.00 51.00 C ATOM 1407 C GLU A 89 2.146 -9.176 -1.489 1.00 50.32 C ATOM 1408 O GLU A 89 3.167 -9.655 -0.974 1.00 52.41 O ATOM 1409 CB GLU A 89 2.196 -9.625 -3.935 1.00 62.51 C ATOM 1410 CG GLU A 89 1.766 -9.116 -5.314 1.00 71.42 C ATOM 1411 CD GLU A 89 1.082 -10.203 -6.154 1.00 61.52 C ATOM 1412 OE1 GLU A 89 1.221 -11.421 -5.889 1.00 65.34 O ATOM 1413 OE2 GLU A 89 0.313 -9.855 -7.075 1.00 14.42 O ATOM 0 H GLU A 89 4.250 -8.362 -2.465 1.00 5.23 H new ATOM 0 HA GLU A 89 1.401 -7.839 -3.036 1.00 51.00 H new ATOM 0 HB2 GLU A 89 3.186 -10.075 -4.015 1.00 62.51 H new ATOM 0 HB3 GLU A 89 1.513 -10.413 -3.618 1.00 62.51 H new ATOM 0 HG2 GLU A 89 1.085 -8.274 -5.191 1.00 71.42 H new ATOM 0 HG3 GLU A 89 2.640 -8.744 -5.849 1.00 71.42 H new ATOM 1420 N ALA A 90 0.933 -9.275 -0.951 1.00 72.23 N ATOM 1421 CA ALA A 90 0.590 -10.248 0.065 1.00 12.21 C ATOM 1422 C ALA A 90 -0.800 -10.813 -0.225 1.00 14.23 C ATOM 1423 O ALA A 90 -1.665 -10.112 -0.771 1.00 22.35 O ATOM 1424 CB ALA A 90 0.659 -9.613 1.456 1.00 51.53 C ATOM 0 H ALA A 90 0.155 -8.671 -1.217 1.00 72.23 H new ATOM 0 HA ALA A 90 1.308 -11.068 0.045 1.00 12.21 H new ATOM 0 HB1 ALA A 90 0.399 -10.357 2.209 1.00 51.53 H new ATOM 0 HB2 ALA A 90 1.670 -9.249 1.640 1.00 51.53 H new ATOM 0 HB3 ALA A 90 -0.042 -8.780 1.511 1.00 51.53 H new ATOM 1430 N GLY A 91 -1.017 -12.067 0.166 1.00 5.42 N ATOM 1431 CA GLY A 91 -2.266 -12.778 -0.023 1.00 74.00 C ATOM 1432 C GLY A 91 -2.125 -14.255 0.335 1.00 14.52 C ATOM 1433 O GLY A 91 -1.020 -14.753 0.554 1.00 11.54 O ATOM 0 H GLY A 91 -0.305 -12.626 0.635 1.00 5.42 H new ATOM 0 HA2 GLY A 91 -3.042 -12.325 0.594 1.00 74.00 H new ATOM 0 HA3 GLY A 91 -2.588 -12.682 -1.060 1.00 74.00 H new ATOM 1437 N TYR A 92 -3.260 -14.939 0.457 1.00 5.34 N ATOM 1438 CA TYR A 92 -3.335 -16.339 0.848 1.00 13.41 C ATOM 1439 C TYR A 92 -3.222 -17.240 -0.383 1.00 4.32 C ATOM 1440 O TYR A 92 -3.700 -16.870 -1.460 1.00 24.02 O ATOM 1441 CB TYR A 92 -4.668 -16.590 1.562 1.00 73.14 C ATOM 1442 CG TYR A 92 -4.747 -15.958 2.937 1.00 15.14 C ATOM 1443 CD1 TYR A 92 -5.036 -14.588 3.083 1.00 13.44 C ATOM 1444 CD2 TYR A 92 -4.507 -16.747 4.075 1.00 35.45 C ATOM 1445 CE1 TYR A 92 -4.995 -13.989 4.353 1.00 22.14 C ATOM 1446 CE2 TYR A 92 -4.517 -16.168 5.355 1.00 1.45 C ATOM 1447 CZ TYR A 92 -4.719 -14.775 5.493 1.00 41.24 C ATOM 1448 OH TYR A 92 -4.569 -14.175 6.703 1.00 3.53 O ATOM 0 H TYR A 92 -4.174 -14.522 0.282 1.00 5.34 H new ATOM 0 HA TYR A 92 -2.510 -16.571 1.522 1.00 13.41 H new ATOM 0 HB2 TYR A 92 -5.479 -16.203 0.946 1.00 73.14 H new ATOM 0 HB3 TYR A 92 -4.824 -17.665 1.656 1.00 73.14 H new ATOM 0 HD1 TYR A 92 -5.290 -13.996 2.216 1.00 13.44 H new ATOM 0 HD2 TYR A 92 -4.314 -17.804 3.965 1.00 35.45 H new ATOM 0 HE1 TYR A 92 -5.174 -12.929 4.457 1.00 22.14 H new ATOM 0 HE2 TYR A 92 -4.371 -16.784 6.230 1.00 1.45 H new ATOM 0 HH TYR A 92 -4.384 -14.855 7.384 1.00 3.53 H new ATOM 1458 N ASP A 93 -2.659 -18.439 -0.207 1.00 62.34 N ATOM 1459 CA ASP A 93 -2.252 -19.391 -1.256 1.00 53.13 C ATOM 1460 C ASP A 93 -3.420 -20.140 -1.909 1.00 33.03 C ATOM 1461 O ASP A 93 -3.308 -21.287 -2.342 1.00 31.01 O ATOM 1462 CB ASP A 93 -1.264 -20.396 -0.624 1.00 23.14 C ATOM 1463 CG ASP A 93 -0.320 -21.117 -1.597 1.00 54.04 C ATOM 1464 OD1 ASP A 93 -0.324 -20.834 -2.820 1.00 53.02 O ATOM 1465 OD2 ASP A 93 0.521 -21.908 -1.110 1.00 22.51 O ATOM 0 H ASP A 93 -2.461 -18.797 0.727 1.00 62.34 H new ATOM 0 HA ASP A 93 -1.791 -18.820 -2.061 1.00 53.13 H new ATOM 0 HB2 ASP A 93 -0.659 -19.866 0.112 1.00 23.14 H new ATOM 0 HB3 ASP A 93 -1.838 -21.148 -0.083 1.00 23.14 H new ATOM 1470 N GLU A 94 -4.556 -19.470 -2.035 1.00 52.50 N ATOM 1471 CA GLU A 94 -5.818 -19.976 -2.542 1.00 35.45 C ATOM 1472 C GLU A 94 -6.709 -18.874 -3.117 1.00 14.31 C ATOM 1473 O GLU A 94 -7.636 -19.142 -3.882 1.00 62.43 O ATOM 1474 CB GLU A 94 -6.502 -20.772 -1.423 1.00 40.30 C ATOM 1475 CG GLU A 94 -6.952 -19.982 -0.181 1.00 64.10 C ATOM 1476 CD GLU A 94 -7.287 -20.916 0.994 1.00 60.10 C ATOM 1477 OE1 GLU A 94 -6.423 -21.748 1.376 1.00 55.34 O ATOM 1478 OE2 GLU A 94 -8.427 -20.859 1.521 1.00 61.23 O ATOM 0 H GLU A 94 -4.622 -18.488 -1.766 1.00 52.50 H new ATOM 0 HA GLU A 94 -5.627 -20.638 -3.387 1.00 35.45 H new ATOM 0 HB2 GLU A 94 -7.376 -21.268 -1.845 1.00 40.30 H new ATOM 0 HB3 GLU A 94 -5.818 -21.555 -1.097 1.00 40.30 H new ATOM 0 HG2 GLU A 94 -6.163 -19.291 0.116 1.00 64.10 H new ATOM 0 HG3 GLU A 94 -7.826 -19.380 -0.429 1.00 64.10 H new ATOM 1485 N SER A 95 -6.381 -17.622 -2.816 1.00 54.51 N ATOM 1486 CA SER A 95 -7.133 -16.452 -3.264 1.00 42.43 C ATOM 1487 C SER A 95 -6.304 -15.624 -4.243 1.00 71.50 C ATOM 1488 O SER A 95 -5.134 -15.919 -4.506 1.00 32.34 O ATOM 1489 CB SER A 95 -7.561 -15.612 -2.059 1.00 41.11 C ATOM 1490 OG SER A 95 -8.679 -14.798 -2.339 1.00 5.11 O ATOM 0 H SER A 95 -5.570 -17.386 -2.243 1.00 54.51 H new ATOM 0 HA SER A 95 -8.029 -16.787 -3.786 1.00 42.43 H new ATOM 0 HB2 SER A 95 -7.796 -16.273 -1.225 1.00 41.11 H new ATOM 0 HB3 SER A 95 -6.728 -14.984 -1.743 1.00 41.11 H new ATOM 0 HG SER A 95 -8.916 -14.282 -1.540 1.00 5.11 H new ATOM 1496 N GLU A 96 -6.918 -14.556 -4.740 1.00 1.05 N ATOM 1497 CA GLU A 96 -6.219 -13.429 -5.342 1.00 31.21 C ATOM 1498 C GLU A 96 -5.782 -12.468 -4.226 1.00 2.24 C ATOM 1499 O GLU A 96 -6.436 -12.415 -3.178 1.00 31.25 O ATOM 1500 CB GLU A 96 -7.141 -12.695 -6.330 1.00 22.41 C ATOM 1501 CG GLU A 96 -6.823 -13.091 -7.780 1.00 30.13 C ATOM 1502 CD GLU A 96 -7.500 -12.177 -8.803 1.00 61.30 C ATOM 1503 OE1 GLU A 96 -6.955 -11.078 -9.087 1.00 1.14 O ATOM 1504 OE2 GLU A 96 -8.574 -12.561 -9.319 1.00 72.13 O ATOM 0 H GLU A 96 -7.932 -14.448 -4.735 1.00 1.05 H new ATOM 0 HA GLU A 96 -5.347 -13.790 -5.887 1.00 31.21 H new ATOM 0 HB2 GLU A 96 -8.181 -12.930 -6.105 1.00 22.41 H new ATOM 0 HB3 GLU A 96 -7.025 -11.618 -6.210 1.00 22.41 H new ATOM 0 HG2 GLU A 96 -5.744 -13.063 -7.932 1.00 30.13 H new ATOM 0 HG3 GLU A 96 -7.142 -14.119 -7.950 1.00 30.13 H new ATOM 1511 N PRO A 97 -4.715 -11.677 -4.428 1.00 63.10 N ATOM 1512 CA PRO A 97 -4.126 -10.816 -3.400 1.00 4.04 C ATOM 1513 C PRO A 97 -5.060 -9.714 -2.880 1.00 51.52 C ATOM 1514 O PRO A 97 -6.057 -9.375 -3.524 1.00 63.31 O ATOM 1515 CB PRO A 97 -2.910 -10.169 -4.063 1.00 5.35 C ATOM 1516 CG PRO A 97 -3.088 -10.385 -5.562 1.00 65.51 C ATOM 1517 CD PRO A 97 -3.917 -11.652 -5.645 1.00 22.31 C ATOM 0 HA PRO A 97 -3.890 -11.423 -2.526 1.00 4.04 H new ATOM 0 HB2 PRO A 97 -2.854 -9.107 -3.825 1.00 5.35 H new ATOM 0 HB3 PRO A 97 -1.984 -10.624 -3.710 1.00 5.35 H new ATOM 0 HG2 PRO A 97 -3.596 -9.542 -6.031 1.00 65.51 H new ATOM 0 HG3 PRO A 97 -2.129 -10.500 -6.067 1.00 65.51 H new ATOM 0 HD2 PRO A 97 -4.552 -11.647 -6.531 1.00 22.31 H new ATOM 0 HD3 PRO A 97 -3.280 -12.534 -5.714 1.00 22.31 H new ATOM 1525 N SER A 98 -4.663 -9.075 -1.773 1.00 24.04 N ATOM 1526 CA SER A 98 -5.378 -7.938 -1.188 1.00 31.35 C ATOM 1527 C SER A 98 -4.479 -6.733 -0.871 1.00 13.43 C ATOM 1528 O SER A 98 -5.000 -5.680 -0.501 1.00 54.50 O ATOM 1529 CB SER A 98 -6.104 -8.387 0.085 1.00 3.14 C ATOM 1530 OG SER A 98 -6.994 -9.461 -0.162 1.00 45.23 O ATOM 0 H SER A 98 -3.826 -9.337 -1.253 1.00 24.04 H new ATOM 0 HA SER A 98 -6.088 -7.601 -1.943 1.00 31.35 H new ATOM 0 HB2 SER A 98 -5.371 -8.689 0.833 1.00 3.14 H new ATOM 0 HB3 SER A 98 -6.658 -7.546 0.502 1.00 3.14 H new ATOM 0 HG SER A 98 -7.436 -9.719 0.674 1.00 45.23 H new ATOM 1536 N LEU A 99 -3.148 -6.833 -0.999 1.00 45.22 N ATOM 1537 CA LEU A 99 -2.247 -5.736 -0.639 1.00 21.45 C ATOM 1538 C LEU A 99 -1.075 -5.666 -1.613 1.00 4.14 C ATOM 1539 O LEU A 99 -0.113 -6.426 -1.476 1.00 52.02 O ATOM 1540 CB LEU A 99 -1.758 -5.898 0.806 1.00 10.51 C ATOM 1541 CG LEU A 99 -0.960 -4.656 1.254 1.00 32.11 C ATOM 1542 CD1 LEU A 99 -1.870 -3.506 1.697 1.00 30.01 C ATOM 1543 CD2 LEU A 99 -0.035 -5.036 2.398 1.00 62.33 C ATOM 0 H LEU A 99 -2.674 -7.665 -1.350 1.00 45.22 H new ATOM 0 HA LEU A 99 -2.795 -4.796 -0.706 1.00 21.45 H new ATOM 0 HB2 LEU A 99 -2.610 -6.047 1.469 1.00 10.51 H new ATOM 0 HB3 LEU A 99 -1.132 -6.787 0.886 1.00 10.51 H new ATOM 0 HG LEU A 99 -0.386 -4.308 0.395 1.00 32.11 H new ATOM 0 HD11 LEU A 99 -1.260 -2.656 2.003 1.00 30.01 H new ATOM 0 HD12 LEU A 99 -2.514 -3.211 0.868 1.00 30.01 H new ATOM 0 HD13 LEU A 99 -2.485 -3.831 2.536 1.00 30.01 H new ATOM 0 HD21 LEU A 99 0.530 -4.160 2.716 1.00 62.33 H new ATOM 0 HD22 LEU A 99 -0.625 -5.410 3.234 1.00 62.33 H new ATOM 0 HD23 LEU A 99 0.655 -5.811 2.066 1.00 62.33 H new ATOM 1555 N ARG A 100 -1.155 -4.735 -2.564 1.00 41.33 N ATOM 1556 CA ARG A 100 -0.179 -4.556 -3.640 1.00 41.12 C ATOM 1557 C ARG A 100 0.485 -3.199 -3.470 1.00 4.04 C ATOM 1558 O ARG A 100 -0.185 -2.236 -3.084 1.00 65.14 O ATOM 1559 CB ARG A 100 -0.843 -4.658 -5.024 1.00 42.42 C ATOM 1560 CG ARG A 100 0.235 -4.874 -6.107 1.00 32.54 C ATOM 1561 CD ARG A 100 -0.332 -4.898 -7.526 1.00 45.13 C ATOM 1562 NE ARG A 100 -0.660 -3.559 -8.031 1.00 45.24 N ATOM 1563 CZ ARG A 100 -1.235 -3.305 -9.211 1.00 44.34 C ATOM 1564 NH1 ARG A 100 -1.499 -4.306 -10.041 1.00 25.12 N ATOM 1565 NH2 ARG A 100 -1.554 -2.068 -9.580 1.00 65.10 N ATOM 0 H ARG A 100 -1.923 -4.065 -2.608 1.00 41.33 H new ATOM 0 HA ARG A 100 0.566 -5.349 -3.581 1.00 41.12 H new ATOM 0 HB2 ARG A 100 -1.554 -5.484 -5.036 1.00 42.42 H new ATOM 0 HB3 ARG A 100 -1.406 -3.749 -5.235 1.00 42.42 H new ATOM 0 HG2 ARG A 100 0.979 -4.080 -6.033 1.00 32.54 H new ATOM 0 HG3 ARG A 100 0.752 -5.814 -5.913 1.00 32.54 H new ATOM 0 HD2 ARG A 100 0.392 -5.366 -8.194 1.00 45.13 H new ATOM 0 HD3 ARG A 100 -1.229 -5.518 -7.544 1.00 45.13 H new ATOM 0 HE ARG A 100 -0.432 -2.762 -7.437 1.00 45.24 H new ATOM 0 HH11 ARG A 100 -1.263 -5.263 -9.777 1.00 25.12 H new ATOM 0 HH12 ARG A 100 -1.938 -4.119 -10.943 1.00 25.12 H new ATOM 0 HH21 ARG A 100 -1.361 -1.284 -8.957 1.00 65.10 H new ATOM 0 HH22 ARG A 100 -1.992 -1.903 -10.486 1.00 65.10 H new ATOM 1579 N VAL A 101 1.783 -3.098 -3.760 1.00 11.44 N ATOM 1580 CA VAL A 101 2.523 -1.836 -3.715 1.00 61.11 C ATOM 1581 C VAL A 101 3.539 -1.837 -4.859 1.00 62.21 C ATOM 1582 O VAL A 101 4.182 -2.858 -5.074 1.00 51.32 O ATOM 1583 CB VAL A 101 3.215 -1.678 -2.339 1.00 11.42 C ATOM 1584 CG1 VAL A 101 3.722 -0.240 -2.178 1.00 54.02 C ATOM 1585 CG2 VAL A 101 2.303 -2.003 -1.146 1.00 32.55 C ATOM 0 H VAL A 101 2.355 -3.896 -4.035 1.00 11.44 H new ATOM 0 HA VAL A 101 1.849 -0.989 -3.838 1.00 61.11 H new ATOM 0 HB VAL A 101 4.033 -2.398 -2.331 1.00 11.42 H new ATOM 0 HG11 VAL A 101 4.208 -0.132 -1.209 1.00 54.02 H new ATOM 0 HG12 VAL A 101 4.437 -0.015 -2.970 1.00 54.02 H new ATOM 0 HG13 VAL A 101 2.882 0.451 -2.241 1.00 54.02 H new ATOM 0 HG21 VAL A 101 2.858 -1.870 -0.217 1.00 32.55 H new ATOM 0 HG22 VAL A 101 1.442 -1.335 -1.154 1.00 32.55 H new ATOM 0 HG23 VAL A 101 1.962 -3.036 -1.220 1.00 32.55 H new ATOM 1595 N VAL A 102 3.740 -0.724 -5.572 1.00 31.24 N ATOM 1596 CA VAL A 102 4.676 -0.632 -6.702 1.00 70.20 C ATOM 1597 C VAL A 102 5.720 0.439 -6.420 1.00 70.30 C ATOM 1598 O VAL A 102 5.377 1.536 -5.972 1.00 3.31 O ATOM 1599 CB VAL A 102 3.899 -0.299 -7.982 1.00 24.31 C ATOM 1600 CG1 VAL A 102 4.798 0.016 -9.186 1.00 43.02 C ATOM 1601 CG2 VAL A 102 2.951 -1.451 -8.333 1.00 45.14 C ATOM 0 H VAL A 102 3.252 0.151 -5.380 1.00 31.24 H new ATOM 0 HA VAL A 102 5.185 -1.587 -6.835 1.00 70.20 H new ATOM 0 HB VAL A 102 3.336 0.609 -7.769 1.00 24.31 H new ATOM 0 HG11 VAL A 102 4.178 0.242 -10.054 1.00 43.02 H new ATOM 0 HG12 VAL A 102 5.427 0.876 -8.956 1.00 43.02 H new ATOM 0 HG13 VAL A 102 5.428 -0.846 -9.405 1.00 43.02 H new ATOM 0 HG21 VAL A 102 2.403 -1.207 -9.243 1.00 45.14 H new ATOM 0 HG22 VAL A 102 3.528 -2.362 -8.490 1.00 45.14 H new ATOM 0 HG23 VAL A 102 2.247 -1.605 -7.515 1.00 45.14 H new ATOM 1611 N PHE A 103 6.981 0.137 -6.733 1.00 73.31 N ATOM 1612 CA PHE A 103 8.139 0.966 -6.468 1.00 22.35 C ATOM 1613 C PHE A 103 8.921 1.160 -7.760 1.00 62.11 C ATOM 1614 O PHE A 103 9.368 0.190 -8.373 1.00 23.33 O ATOM 1615 CB PHE A 103 9.036 0.325 -5.402 1.00 65.21 C ATOM 1616 CG PHE A 103 8.354 0.044 -4.085 1.00 14.01 C ATOM 1617 CD1 PHE A 103 7.607 -1.137 -3.931 1.00 43.02 C ATOM 1618 CD2 PHE A 103 8.483 0.943 -3.009 1.00 30.23 C ATOM 1619 CE1 PHE A 103 6.989 -1.412 -2.706 1.00 63.33 C ATOM 1620 CE2 PHE A 103 7.845 0.674 -1.787 1.00 34.25 C ATOM 1621 CZ PHE A 103 7.106 -0.508 -1.636 1.00 21.42 C ATOM 0 H PHE A 103 7.225 -0.736 -7.200 1.00 73.31 H new ATOM 0 HA PHE A 103 7.804 1.932 -6.091 1.00 22.35 H new ATOM 0 HB2 PHE A 103 9.433 -0.611 -5.796 1.00 65.21 H new ATOM 0 HB3 PHE A 103 9.887 0.981 -5.221 1.00 65.21 H new ATOM 0 HD1 PHE A 103 7.511 -1.829 -4.755 1.00 43.02 H new ATOM 0 HD2 PHE A 103 9.073 1.840 -3.123 1.00 30.23 H new ATOM 0 HE1 PHE A 103 6.420 -2.322 -2.582 1.00 63.33 H new ATOM 0 HE2 PHE A 103 7.923 1.374 -0.968 1.00 34.25 H new ATOM 0 HZ PHE A 103 6.625 -0.725 -0.694 1.00 21.42 H new ATOM 1631 N GLU A 104 9.135 2.417 -8.134 1.00 33.41 N ATOM 1632 CA GLU A 104 10.041 2.824 -9.201 1.00 21.25 C ATOM 1633 C GLU A 104 11.239 3.492 -8.534 1.00 23.11 C ATOM 1634 O GLU A 104 11.069 4.248 -7.577 1.00 33.13 O ATOM 1635 CB GLU A 104 9.325 3.815 -10.135 1.00 30.11 C ATOM 1636 CG GLU A 104 8.284 3.099 -11.009 1.00 23.42 C ATOM 1637 CD GLU A 104 7.420 4.026 -11.870 1.00 44.43 C ATOM 1638 OE1 GLU A 104 7.431 5.261 -11.695 1.00 14.44 O ATOM 1639 OE2 GLU A 104 6.680 3.512 -12.747 1.00 52.02 O ATOM 0 H GLU A 104 8.667 3.206 -7.688 1.00 33.41 H new ATOM 0 HA GLU A 104 10.361 1.971 -9.799 1.00 21.25 H new ATOM 0 HB2 GLU A 104 8.837 4.589 -9.543 1.00 30.11 H new ATOM 0 HB3 GLU A 104 10.057 4.314 -10.771 1.00 30.11 H new ATOM 0 HG2 GLU A 104 8.801 2.396 -11.663 1.00 23.42 H new ATOM 0 HG3 GLU A 104 7.630 2.512 -10.364 1.00 23.42 H new ATOM 1646 N LEU A 105 12.443 3.211 -9.017 1.00 62.41 N ATOM 1647 CA LEU A 105 13.663 3.915 -8.652 1.00 32.22 C ATOM 1648 C LEU A 105 13.847 5.040 -9.660 1.00 71.42 C ATOM 1649 O LEU A 105 14.091 4.778 -10.839 1.00 71.52 O ATOM 1650 CB LEU A 105 14.853 2.953 -8.691 1.00 2.42 C ATOM 1651 CG LEU A 105 16.179 3.628 -8.299 1.00 22.23 C ATOM 1652 CD1 LEU A 105 16.359 3.637 -6.787 1.00 63.52 C ATOM 1653 CD2 LEU A 105 17.336 2.883 -8.963 1.00 33.14 C ATOM 0 H LEU A 105 12.601 2.464 -9.694 1.00 62.41 H new ATOM 0 HA LEU A 105 13.598 4.317 -7.641 1.00 32.22 H new ATOM 0 HB2 LEU A 105 14.662 2.119 -8.016 1.00 2.42 H new ATOM 0 HB3 LEU A 105 14.945 2.537 -9.694 1.00 2.42 H new ATOM 0 HG LEU A 105 16.164 4.663 -8.640 1.00 22.23 H new ATOM 0 HD11 LEU A 105 17.304 4.119 -6.536 1.00 63.52 H new ATOM 0 HD12 LEU A 105 15.538 4.186 -6.326 1.00 63.52 H new ATOM 0 HD13 LEU A 105 16.365 2.612 -6.415 1.00 63.52 H new ATOM 0 HD21 LEU A 105 18.279 3.357 -8.689 1.00 33.14 H new ATOM 0 HD22 LEU A 105 17.340 1.846 -8.629 1.00 33.14 H new ATOM 0 HD23 LEU A 105 17.215 2.915 -10.046 1.00 33.14 H new ATOM 1665 N THR A 106 13.752 6.283 -9.218 1.00 41.15 N ATOM 1666 CA THR A 106 13.886 7.444 -10.068 1.00 43.24 C ATOM 1667 C THR A 106 14.859 8.413 -9.406 1.00 51.25 C ATOM 1668 O THR A 106 14.741 8.683 -8.211 1.00 62.34 O ATOM 1669 CB THR A 106 12.506 8.088 -10.259 1.00 43.21 C ATOM 1670 OG1 THR A 106 11.477 7.148 -10.551 1.00 10.23 O ATOM 1671 CG2 THR A 106 12.579 9.114 -11.385 1.00 42.31 C ATOM 0 H THR A 106 13.576 6.513 -8.240 1.00 41.15 H new ATOM 0 HA THR A 106 14.272 7.169 -11.049 1.00 43.24 H new ATOM 0 HB THR A 106 12.246 8.559 -9.311 1.00 43.21 H new ATOM 0 HG1 THR A 106 10.625 7.619 -10.659 1.00 10.23 H new ATOM 0 HG21 THR A 106 11.600 9.573 -11.523 1.00 42.31 H new ATOM 0 HG22 THR A 106 13.308 9.883 -11.130 1.00 42.31 H new ATOM 0 HG23 THR A 106 12.881 8.620 -12.308 1.00 42.31 H new ATOM 1679 N ASP A 107 15.781 8.994 -10.181 1.00 64.34 N ATOM 1680 CA ASP A 107 16.620 10.105 -9.725 1.00 21.32 C ATOM 1681 C ASP A 107 17.577 9.664 -8.608 1.00 1.33 C ATOM 1682 O ASP A 107 18.132 10.504 -7.893 1.00 50.03 O ATOM 1683 CB ASP A 107 15.675 11.257 -9.326 1.00 64.34 C ATOM 1684 CG ASP A 107 16.211 12.671 -9.471 1.00 24.22 C ATOM 1685 OD1 ASP A 107 16.673 13.020 -10.582 1.00 14.12 O ATOM 1686 OD2 ASP A 107 15.975 13.451 -8.520 1.00 62.43 O ATOM 0 H ASP A 107 15.966 8.706 -11.142 1.00 64.34 H new ATOM 0 HA ASP A 107 17.280 10.456 -10.518 1.00 21.32 H new ATOM 0 HB2 ASP A 107 14.769 11.175 -9.926 1.00 64.34 H new ATOM 0 HB3 ASP A 107 15.383 11.111 -8.286 1.00 64.34 H new ATOM 1691 N GLY A 108 17.744 8.345 -8.442 1.00 45.13 N ATOM 1692 CA GLY A 108 18.506 7.691 -7.397 1.00 52.31 C ATOM 1693 C GLY A 108 17.665 7.235 -6.208 1.00 33.14 C ATOM 1694 O GLY A 108 18.161 6.455 -5.401 1.00 74.52 O ATOM 0 H GLY A 108 17.319 7.673 -9.081 1.00 45.13 H new ATOM 0 HA2 GLY A 108 19.016 6.826 -7.821 1.00 52.31 H new ATOM 0 HA3 GLY A 108 19.278 8.374 -7.042 1.00 52.31 H new ATOM 1698 N LYS A 109 16.415 7.689 -6.066 1.00 53.33 N ATOM 1699 CA LYS A 109 15.576 7.414 -4.914 1.00 62.34 C ATOM 1700 C LYS A 109 14.427 6.515 -5.347 1.00 70.41 C ATOM 1701 O LYS A 109 13.883 6.688 -6.433 1.00 22.11 O ATOM 1702 CB LYS A 109 15.055 8.750 -4.367 1.00 74.42 C ATOM 1703 CG LYS A 109 16.155 9.652 -3.785 1.00 44.01 C ATOM 1704 CD LYS A 109 17.000 10.532 -4.724 1.00 74.11 C ATOM 1705 CE LYS A 109 16.203 11.657 -5.398 1.00 52.13 C ATOM 1706 NZ LYS A 109 17.080 12.484 -6.253 1.00 10.31 N ATOM 0 H LYS A 109 15.957 8.269 -6.768 1.00 53.33 H new ATOM 0 HA LYS A 109 16.137 6.905 -4.130 1.00 62.34 H new ATOM 0 HB2 LYS A 109 14.544 9.286 -5.167 1.00 74.42 H new ATOM 0 HB3 LYS A 109 14.314 8.551 -3.593 1.00 74.42 H new ATOM 0 HG2 LYS A 109 15.683 10.313 -3.058 1.00 44.01 H new ATOM 0 HG3 LYS A 109 16.843 9.011 -3.234 1.00 44.01 H new ATOM 0 HD2 LYS A 109 17.821 10.970 -4.156 1.00 74.11 H new ATOM 0 HD3 LYS A 109 17.446 9.903 -5.494 1.00 74.11 H new ATOM 0 HE2 LYS A 109 15.400 11.230 -5.999 1.00 52.13 H new ATOM 0 HE3 LYS A 109 15.734 12.282 -4.638 1.00 52.13 H new ATOM 0 HZ1 LYS A 109 16.497 13.092 -6.863 1.00 10.31 H new ATOM 0 HZ2 LYS A 109 17.689 13.077 -5.654 1.00 10.31 H new ATOM 0 HZ3 LYS A 109 17.672 11.866 -6.844 1.00 10.31 H new ATOM 1720 N TRP A 110 14.012 5.565 -4.511 1.00 32.10 N ATOM 1721 CA TRP A 110 12.757 4.872 -4.785 1.00 4.20 C ATOM 1722 C TRP A 110 11.593 5.845 -4.594 1.00 34.32 C ATOM 1723 O TRP A 110 11.724 6.851 -3.892 1.00 73.11 O ATOM 1724 CB TRP A 110 12.636 3.599 -3.944 1.00 42.42 C ATOM 1725 CG TRP A 110 13.636 2.546 -4.318 1.00 34.14 C ATOM 1726 CD1 TRP A 110 14.872 2.421 -3.792 1.00 2.13 C ATOM 1727 CD2 TRP A 110 13.535 1.493 -5.331 1.00 4.05 C ATOM 1728 NE1 TRP A 110 15.544 1.400 -4.421 1.00 12.21 N ATOM 1729 CE2 TRP A 110 14.764 0.767 -5.359 1.00 73.30 C ATOM 1730 CE3 TRP A 110 12.535 1.070 -6.230 1.00 53.10 C ATOM 1731 CZ2 TRP A 110 14.970 -0.338 -6.201 1.00 52.13 C ATOM 1732 CZ3 TRP A 110 12.711 -0.062 -7.050 1.00 12.04 C ATOM 1733 CH2 TRP A 110 13.922 -0.777 -7.028 1.00 31.42 C ATOM 0 H TRP A 110 14.505 5.266 -3.669 1.00 32.10 H new ATOM 0 HA TRP A 110 12.733 4.536 -5.822 1.00 4.20 H new ATOM 0 HB2 TRP A 110 12.762 3.853 -2.892 1.00 42.42 H new ATOM 0 HB3 TRP A 110 11.631 3.192 -4.055 1.00 42.42 H new ATOM 0 HD1 TRP A 110 15.273 3.031 -2.996 1.00 2.13 H new ATOM 0 HE1 TRP A 110 16.509 1.142 -4.215 1.00 12.21 H new ATOM 0 HE3 TRP A 110 11.612 1.627 -6.292 1.00 53.10 H new ATOM 0 HZ2 TRP A 110 15.924 -0.845 -6.213 1.00 52.13 H new ATOM 0 HZ3 TRP A 110 11.910 -0.383 -7.700 1.00 12.04 H new ATOM 0 HH2 TRP A 110 14.046 -1.657 -7.642 1.00 31.42 H new ATOM 1744 N TYR A 111 10.451 5.529 -5.190 1.00 50.12 N ATOM 1745 CA TYR A 111 9.169 6.191 -5.046 1.00 42.35 C ATOM 1746 C TYR A 111 8.110 5.109 -5.108 1.00 21.51 C ATOM 1747 O TYR A 111 8.206 4.211 -5.945 1.00 12.12 O ATOM 1748 CB TYR A 111 8.920 7.141 -6.228 1.00 21.13 C ATOM 1749 CG TYR A 111 9.216 8.592 -5.950 1.00 13.01 C ATOM 1750 CD1 TYR A 111 8.410 9.295 -5.035 1.00 73.15 C ATOM 1751 CD2 TYR A 111 10.224 9.257 -6.668 1.00 32.20 C ATOM 1752 CE1 TYR A 111 8.594 10.673 -4.847 1.00 22.51 C ATOM 1753 CE2 TYR A 111 10.399 10.639 -6.506 1.00 12.41 C ATOM 1754 CZ TYR A 111 9.573 11.349 -5.605 1.00 2.10 C ATOM 1755 OH TYR A 111 9.663 12.696 -5.501 1.00 52.13 O ATOM 0 H TYR A 111 10.397 4.741 -5.836 1.00 50.12 H new ATOM 0 HA TYR A 111 9.145 6.757 -4.115 1.00 42.35 H new ATOM 0 HB2 TYR A 111 9.530 6.816 -7.071 1.00 21.13 H new ATOM 0 HB3 TYR A 111 7.878 7.050 -6.535 1.00 21.13 H new ATOM 0 HD1 TYR A 111 7.648 8.772 -4.476 1.00 73.15 H new ATOM 0 HD2 TYR A 111 10.862 8.706 -7.343 1.00 32.20 H new ATOM 0 HE1 TYR A 111 7.992 11.211 -4.129 1.00 22.51 H new ATOM 0 HE2 TYR A 111 11.162 11.159 -7.067 1.00 12.41 H new ATOM 0 HH TYR A 111 10.383 13.021 -6.080 1.00 52.13 H new ATOM 1765 N VAL A 112 7.069 5.214 -4.287 1.00 61.31 N ATOM 1766 CA VAL A 112 5.838 4.476 -4.540 1.00 73.41 C ATOM 1767 C VAL A 112 4.997 5.306 -5.516 1.00 44.33 C ATOM 1768 O VAL A 112 4.968 6.538 -5.396 1.00 50.15 O ATOM 1769 CB VAL A 112 5.082 4.195 -3.228 1.00 1.03 C ATOM 1770 CG1 VAL A 112 4.112 3.020 -3.395 1.00 3.33 C ATOM 1771 CG2 VAL A 112 6.023 3.844 -2.063 1.00 73.24 C ATOM 0 H VAL A 112 7.053 5.797 -3.450 1.00 61.31 H new ATOM 0 HA VAL A 112 6.057 3.502 -4.977 1.00 73.41 H new ATOM 0 HB VAL A 112 4.549 5.117 -2.997 1.00 1.03 H new ATOM 0 HG11 VAL A 112 3.591 2.842 -2.454 1.00 3.33 H new ATOM 0 HG12 VAL A 112 3.386 3.255 -4.173 1.00 3.33 H new ATOM 0 HG13 VAL A 112 4.668 2.126 -3.676 1.00 3.33 H new ATOM 0 HG21 VAL A 112 5.435 3.656 -1.165 1.00 73.24 H new ATOM 0 HG22 VAL A 112 6.597 2.952 -2.315 1.00 73.24 H new ATOM 0 HG23 VAL A 112 6.705 4.675 -1.883 1.00 73.24 H new ATOM 1781 N THR A 113 4.306 4.672 -6.468 1.00 61.55 N ATOM 1782 CA THR A 113 3.368 5.392 -7.339 1.00 70.21 C ATOM 1783 C THR A 113 2.100 4.588 -7.650 1.00 63.13 C ATOM 1784 O THR A 113 1.183 5.151 -8.249 1.00 70.45 O ATOM 1785 CB THR A 113 4.082 6.011 -8.572 1.00 10.01 C ATOM 1786 OG1 THR A 113 3.252 6.241 -9.693 1.00 31.42 O ATOM 1787 CG2 THR A 113 5.346 5.284 -9.022 1.00 24.24 C ATOM 0 H THR A 113 4.376 3.672 -6.655 1.00 61.55 H new ATOM 0 HA THR A 113 2.991 6.248 -6.779 1.00 70.21 H new ATOM 0 HB THR A 113 4.379 6.980 -8.172 1.00 10.01 H new ATOM 0 HG1 THR A 113 3.801 6.526 -10.453 1.00 31.42 H new ATOM 0 HG21 THR A 113 5.770 5.793 -9.888 1.00 24.24 H new ATOM 0 HG22 THR A 113 6.073 5.283 -8.210 1.00 24.24 H new ATOM 0 HG23 THR A 113 5.099 4.257 -9.290 1.00 24.24 H new ATOM 1795 N ASP A 114 1.982 3.332 -7.218 1.00 42.15 N ATOM 1796 CA ASP A 114 0.731 2.582 -7.300 1.00 45.15 C ATOM 1797 C ASP A 114 0.614 1.772 -6.017 1.00 21.33 C ATOM 1798 O ASP A 114 1.613 1.260 -5.500 1.00 11.03 O ATOM 1799 CB ASP A 114 0.709 1.689 -8.544 1.00 14.02 C ATOM 1800 CG ASP A 114 -0.645 1.039 -8.796 1.00 33.22 C ATOM 1801 OD1 ASP A 114 -1.055 0.190 -7.975 1.00 5.35 O ATOM 1802 OD2 ASP A 114 -1.263 1.327 -9.841 1.00 33.52 O ATOM 0 H ASP A 114 2.751 2.807 -6.802 1.00 42.15 H new ATOM 0 HA ASP A 114 -0.122 3.253 -7.397 1.00 45.15 H new ATOM 0 HB2 ASP A 114 0.986 2.284 -9.414 1.00 14.02 H new ATOM 0 HB3 ASP A 114 1.464 0.910 -8.437 1.00 14.02 H new ATOM 1807 N CYS A 115 -0.592 1.687 -5.477 1.00 41.00 N ATOM 1808 CA CYS A 115 -0.942 0.964 -4.274 1.00 30.32 C ATOM 1809 C CYS A 115 -2.346 0.399 -4.452 1.00 43.31 C ATOM 1810 O CYS A 115 -3.208 1.069 -5.034 1.00 41.04 O ATOM 1811 CB CYS A 115 -0.935 1.939 -3.097 1.00 72.53 C ATOM 1812 SG CYS A 115 -1.213 1.059 -1.537 1.00 4.35 S ATOM 0 H CYS A 115 -1.398 2.151 -5.896 1.00 41.00 H new ATOM 0 HA CYS A 115 -0.233 0.158 -4.087 1.00 30.32 H new ATOM 0 HB2 CYS A 115 0.019 2.465 -3.059 1.00 72.53 H new ATOM 0 HB3 CYS A 115 -1.709 2.693 -3.238 1.00 72.53 H new ATOM 0 HG CYS A 115 -0.724 1.754 -0.553 1.00 4.35 H new ATOM 1818 N TYR A 116 -2.589 -0.747 -3.830 1.00 12.25 N ATOM 1819 CA TYR A 116 -3.901 -1.297 -3.577 1.00 3.23 C ATOM 1820 C TYR A 116 -3.896 -1.753 -2.121 1.00 63.12 C ATOM 1821 O TYR A 116 -3.099 -2.619 -1.757 1.00 54.30 O ATOM 1822 CB TYR A 116 -4.152 -2.444 -4.554 1.00 51.34 C ATOM 1823 CG TYR A 116 -5.509 -3.095 -4.424 1.00 72.54 C ATOM 1824 CD1 TYR A 116 -6.684 -2.331 -4.573 1.00 23.25 C ATOM 1825 CD2 TYR A 116 -5.586 -4.475 -4.162 1.00 72.33 C ATOM 1826 CE1 TYR A 116 -7.942 -2.947 -4.455 1.00 10.31 C ATOM 1827 CE2 TYR A 116 -6.842 -5.098 -4.044 1.00 73.42 C ATOM 1828 CZ TYR A 116 -8.025 -4.335 -4.191 1.00 42.24 C ATOM 1829 OH TYR A 116 -9.250 -4.925 -4.104 1.00 3.53 O ATOM 0 H TYR A 116 -1.839 -1.340 -3.475 1.00 12.25 H new ATOM 0 HA TYR A 116 -4.705 -0.577 -3.727 1.00 3.23 H new ATOM 0 HB2 TYR A 116 -4.040 -2.069 -5.571 1.00 51.34 H new ATOM 0 HB3 TYR A 116 -3.384 -3.203 -4.408 1.00 51.34 H new ATOM 0 HD1 TYR A 116 -6.618 -1.273 -4.778 1.00 23.25 H new ATOM 0 HD2 TYR A 116 -4.682 -5.056 -4.052 1.00 72.33 H new ATOM 0 HE1 TYR A 116 -8.843 -2.362 -4.566 1.00 10.31 H new ATOM 0 HE2 TYR A 116 -6.903 -6.157 -3.842 1.00 73.42 H new ATOM 0 HH TYR A 116 -9.140 -5.881 -3.920 1.00 3.53 H new ATOM 1839 N ASN A 117 -4.708 -1.115 -1.275 1.00 64.41 N ATOM 1840 CA ASN A 117 -4.891 -1.473 0.127 1.00 32.04 C ATOM 1841 C ASN A 117 -6.346 -1.891 0.312 1.00 21.03 C ATOM 1842 O ASN A 117 -7.251 -1.283 -0.270 1.00 52.33 O ATOM 1843 CB ASN A 117 -4.509 -0.301 1.061 1.00 14.43 C ATOM 1844 CG ASN A 117 -4.347 -0.731 2.519 1.00 5.12 C ATOM 1845 OD1 ASN A 117 -5.001 -1.633 3.012 1.00 11.32 O ATOM 1846 ND2 ASN A 117 -3.476 -0.083 3.266 1.00 1.33 N ATOM 0 H ASN A 117 -5.271 -0.313 -1.558 1.00 64.41 H new ATOM 0 HA ASN A 117 -4.232 -2.299 0.394 1.00 32.04 H new ATOM 0 HB2 ASN A 117 -3.577 0.145 0.713 1.00 14.43 H new ATOM 0 HB3 ASN A 117 -5.275 0.472 0.998 1.00 14.43 H new ATOM 0 HD21 ASN A 117 -3.355 -0.338 4.246 1.00 1.33 H new ATOM 0 HD22 ASN A 117 -2.923 0.674 2.864 1.00 1.33 H new ATOM 1853 N ASP A 118 -6.561 -2.900 1.152 1.00 61.02 N ATOM 1854 CA ASP A 118 -7.846 -3.507 1.461 1.00 25.25 C ATOM 1855 C ASP A 118 -8.856 -2.481 2.000 1.00 1.35 C ATOM 1856 O ASP A 118 -10.055 -2.635 1.783 1.00 72.02 O ATOM 1857 CB ASP A 118 -7.633 -4.683 2.422 1.00 61.41 C ATOM 1858 CG ASP A 118 -8.805 -5.670 2.447 1.00 13.52 C ATOM 1859 OD1 ASP A 118 -9.148 -6.238 1.381 1.00 42.50 O ATOM 1860 OD2 ASP A 118 -9.267 -5.991 3.565 1.00 3.35 O ATOM 0 H ASP A 118 -5.796 -3.339 1.664 1.00 61.02 H new ATOM 0 HA ASP A 118 -8.286 -3.890 0.540 1.00 25.25 H new ATOM 0 HB2 ASP A 118 -6.726 -5.215 2.137 1.00 61.41 H new ATOM 0 HB3 ASP A 118 -7.473 -4.296 3.428 1.00 61.41 H new ATOM 1865 N TRP A 119 -8.386 -1.359 2.573 1.00 64.34 N ATOM 1866 CA TRP A 119 -9.178 -0.168 2.921 1.00 43.22 C ATOM 1867 C TRP A 119 -10.101 0.322 1.780 1.00 42.32 C ATOM 1868 O TRP A 119 -11.070 1.039 2.041 1.00 54.11 O ATOM 1869 CB TRP A 119 -8.223 0.995 3.311 1.00 63.41 C ATOM 1870 CG TRP A 119 -7.656 1.061 4.707 1.00 63.01 C ATOM 1871 CD1 TRP A 119 -6.347 1.072 5.063 1.00 23.11 C ATOM 1872 CD2 TRP A 119 -8.379 1.281 5.954 1.00 65.31 C ATOM 1873 NE1 TRP A 119 -6.225 1.197 6.436 1.00 21.04 N ATOM 1874 CE2 TRP A 119 -7.454 1.322 7.033 1.00 51.55 C ATOM 1875 CE3 TRP A 119 -9.724 1.522 6.273 1.00 74.02 C ATOM 1876 CZ2 TRP A 119 -7.857 1.537 8.355 1.00 62.34 C ATOM 1877 CZ3 TRP A 119 -10.137 1.800 7.591 1.00 25.01 C ATOM 1878 CH2 TRP A 119 -9.197 1.810 8.638 1.00 5.41 C ATOM 0 H TRP A 119 -7.401 -1.254 2.816 1.00 64.34 H new ATOM 0 HA TRP A 119 -9.818 -0.462 3.753 1.00 43.22 H new ATOM 0 HB2 TRP A 119 -7.381 0.971 2.619 1.00 63.41 H new ATOM 0 HB3 TRP A 119 -8.757 1.928 3.132 1.00 63.41 H new ATOM 0 HD1 TRP A 119 -5.519 0.994 4.374 1.00 23.11 H new ATOM 0 HE1 TRP A 119 -5.337 1.196 6.938 1.00 21.04 H new ATOM 0 HE3 TRP A 119 -10.463 1.494 5.486 1.00 74.02 H new ATOM 0 HZ2 TRP A 119 -7.133 1.492 9.155 1.00 62.34 H new ATOM 0 HZ3 TRP A 119 -11.177 2.006 7.798 1.00 25.01 H new ATOM 0 HH2 TRP A 119 -9.508 2.026 9.649 1.00 5.41 H new ATOM 1889 N TYR A 120 -9.826 -0.021 0.514 1.00 50.30 N ATOM 1890 CA TYR A 120 -10.632 0.409 -0.630 1.00 50.32 C ATOM 1891 C TYR A 120 -10.886 -0.754 -1.610 1.00 14.24 C ATOM 1892 O TYR A 120 -10.861 -0.579 -2.834 1.00 74.41 O ATOM 1893 CB TYR A 120 -9.995 1.642 -1.294 1.00 73.15 C ATOM 1894 CG TYR A 120 -9.374 2.677 -0.355 1.00 45.54 C ATOM 1895 CD1 TYR A 120 -10.177 3.627 0.310 1.00 61.32 C ATOM 1896 CD2 TYR A 120 -7.984 2.661 -0.116 1.00 51.34 C ATOM 1897 CE1 TYR A 120 -9.615 4.574 1.189 1.00 34.44 C ATOM 1898 CE2 TYR A 120 -7.412 3.571 0.792 1.00 53.21 C ATOM 1899 CZ TYR A 120 -8.232 4.521 1.449 1.00 43.54 C ATOM 1900 OH TYR A 120 -7.692 5.410 2.320 1.00 61.45 O ATOM 0 H TYR A 120 -9.033 -0.608 0.257 1.00 50.30 H new ATOM 0 HA TYR A 120 -11.618 0.713 -0.278 1.00 50.32 H new ATOM 0 HB2 TYR A 120 -9.223 1.298 -1.982 1.00 73.15 H new ATOM 0 HB3 TYR A 120 -10.758 2.139 -1.894 1.00 73.15 H new ATOM 0 HD1 TYR A 120 -11.244 3.629 0.142 1.00 61.32 H new ATOM 0 HD2 TYR A 120 -7.357 1.948 -0.631 1.00 51.34 H new ATOM 0 HE1 TYR A 120 -10.234 5.327 1.655 1.00 34.44 H new ATOM 0 HE2 TYR A 120 -6.350 3.545 0.988 1.00 53.21 H new ATOM 0 HH TYR A 120 -6.792 5.656 2.020 1.00 61.45 H new ATOM 1910 N ASN A 121 -11.071 -1.968 -1.085 1.00 33.23 N ATOM 1911 CA ASN A 121 -11.262 -3.193 -1.870 1.00 34.12 C ATOM 1912 C ASN A 121 -12.698 -3.384 -2.398 1.00 1.21 C ATOM 1913 O ASN A 121 -13.560 -2.533 -2.207 1.00 63.31 O ATOM 1914 CB ASN A 121 -10.811 -4.410 -1.056 1.00 25.35 C ATOM 1915 CG ASN A 121 -11.884 -4.965 -0.132 1.00 74.21 C ATOM 1916 OD1 ASN A 121 -12.490 -5.973 -0.478 1.00 34.24 O ATOM 1917 ND2 ASN A 121 -12.133 -4.320 0.992 1.00 23.21 N ATOM 0 H ASN A 121 -11.093 -2.132 -0.078 1.00 33.23 H new ATOM 0 HA ASN A 121 -10.640 -3.091 -2.759 1.00 34.12 H new ATOM 0 HB2 ASN A 121 -10.493 -5.196 -1.741 1.00 25.35 H new ATOM 0 HB3 ASN A 121 -9.940 -4.135 -0.461 1.00 25.35 H new ATOM 0 HD21 ASN A 121 -12.861 -4.656 1.622 1.00 23.21 H new ATOM 0 HD22 ASN A 121 -11.597 -3.485 1.230 1.00 23.21 H new ATOM 1924 N PHE A 122 -12.952 -4.497 -3.093 1.00 72.43 N ATOM 1925 CA PHE A 122 -14.220 -4.835 -3.748 1.00 43.10 C ATOM 1926 C PHE A 122 -15.412 -4.902 -2.779 1.00 65.00 C ATOM 1927 O PHE A 122 -16.547 -4.590 -3.150 1.00 25.34 O ATOM 1928 CB PHE A 122 -14.040 -6.189 -4.463 1.00 72.23 C ATOM 1929 CG PHE A 122 -14.588 -6.245 -5.874 1.00 54.20 C ATOM 1930 CD1 PHE A 122 -13.862 -5.644 -6.915 1.00 13.51 C ATOM 1931 CD2 PHE A 122 -15.771 -6.946 -6.169 1.00 24.31 C ATOM 1932 CE1 PHE A 122 -14.308 -5.748 -8.245 1.00 10.52 C ATOM 1933 CE2 PHE A 122 -16.229 -7.040 -7.494 1.00 74.23 C ATOM 1934 CZ PHE A 122 -15.496 -6.441 -8.530 1.00 53.23 C ATOM 0 H PHE A 122 -12.245 -5.222 -3.220 1.00 72.43 H new ATOM 0 HA PHE A 122 -14.457 -4.039 -4.454 1.00 43.10 H new ATOM 0 HB2 PHE A 122 -12.977 -6.429 -4.492 1.00 72.23 H new ATOM 0 HB3 PHE A 122 -14.526 -6.964 -3.870 1.00 72.23 H new ATOM 0 HD1 PHE A 122 -12.956 -5.099 -6.693 1.00 13.51 H new ATOM 0 HD2 PHE A 122 -16.330 -7.415 -5.373 1.00 24.31 H new ATOM 0 HE1 PHE A 122 -13.739 -5.297 -9.044 1.00 10.52 H new ATOM 0 HE2 PHE A 122 -17.143 -7.572 -7.715 1.00 74.23 H new ATOM 0 HZ PHE A 122 -15.846 -6.513 -9.549 1.00 53.23 H new ATOM 1944 N ASP A 123 -15.160 -5.304 -1.534 1.00 52.34 N ATOM 1945 CA ASP A 123 -16.135 -5.456 -0.450 1.00 64.01 C ATOM 1946 C ASP A 123 -16.564 -4.092 0.127 1.00 51.41 C ATOM 1947 O ASP A 123 -17.416 -4.045 1.005 1.00 41.21 O ATOM 1948 CB ASP A 123 -15.468 -6.367 0.598 1.00 5.34 C ATOM 1949 CG ASP A 123 -16.333 -6.865 1.765 1.00 61.31 C ATOM 1950 OD1 ASP A 123 -16.387 -6.209 2.837 1.00 44.43 O ATOM 1951 OD2 ASP A 123 -16.793 -8.031 1.685 1.00 54.41 O ATOM 0 H ASP A 123 -14.215 -5.547 -1.236 1.00 52.34 H new ATOM 0 HA ASP A 123 -17.062 -5.905 -0.806 1.00 64.01 H new ATOM 0 HB2 ASP A 123 -15.070 -7.239 0.079 1.00 5.34 H new ATOM 0 HB3 ASP A 123 -14.617 -5.829 1.017 1.00 5.34 H new ATOM 1956 N LEU A 124 -16.012 -2.973 -0.367 1.00 50.33 N ATOM 1957 CA LEU A 124 -16.205 -1.592 0.092 1.00 74.02 C ATOM 1958 C LEU A 124 -17.465 -0.937 -0.510 1.00 52.24 C ATOM 1959 O LEU A 124 -17.375 -0.485 -1.659 1.00 43.52 O ATOM 1960 CB LEU A 124 -14.939 -0.742 -0.156 1.00 41.23 C ATOM 1961 CG LEU A 124 -14.716 0.421 0.823 1.00 70.01 C ATOM 1962 CD1 LEU A 124 -15.931 1.349 0.981 1.00 73.22 C ATOM 1963 CD2 LEU A 124 -14.277 -0.114 2.190 1.00 23.40 C ATOM 0 H LEU A 124 -15.370 -3.015 -1.159 1.00 50.33 H new ATOM 0 HA LEU A 124 -16.372 -1.635 1.168 1.00 74.02 H new ATOM 0 HB2 LEU A 124 -14.070 -1.398 -0.116 1.00 41.23 H new ATOM 0 HB3 LEU A 124 -14.987 -0.338 -1.167 1.00 41.23 H new ATOM 0 HG LEU A 124 -13.926 1.033 0.387 1.00 70.01 H new ATOM 0 HD11 LEU A 124 -15.693 2.143 1.688 1.00 73.22 H new ATOM 0 HD12 LEU A 124 -16.183 1.787 0.015 1.00 73.22 H new ATOM 0 HD13 LEU A 124 -16.781 0.776 1.352 1.00 73.22 H new ATOM 0 HD21 LEU A 124 -14.122 0.720 2.875 1.00 23.40 H new ATOM 0 HD22 LEU A 124 -15.049 -0.772 2.588 1.00 23.40 H new ATOM 0 HD23 LEU A 124 -13.347 -0.671 2.081 1.00 23.40 H new ATOM 1975 N PRO A 125 -18.675 -1.020 0.077 1.00 14.44 N ATOM 1976 CA PRO A 125 -19.833 -0.343 -0.500 1.00 30.24 C ATOM 1977 C PRO A 125 -19.610 1.172 -0.581 1.00 74.12 C ATOM 1978 O PRO A 125 -19.080 1.795 0.340 1.00 73.14 O ATOM 1979 CB PRO A 125 -21.000 -0.676 0.420 1.00 12.23 C ATOM 1980 CG PRO A 125 -20.348 -0.845 1.787 1.00 42.35 C ATOM 1981 CD PRO A 125 -18.987 -1.446 1.440 1.00 44.14 C ATOM 0 HA PRO A 125 -20.019 -0.673 -1.522 1.00 30.24 H new ATOM 0 HB2 PRO A 125 -21.744 0.121 0.427 1.00 12.23 H new ATOM 0 HB3 PRO A 125 -21.511 -1.586 0.105 1.00 12.23 H new ATOM 0 HG2 PRO A 125 -20.249 0.107 2.308 1.00 42.35 H new ATOM 0 HG3 PRO A 125 -20.928 -1.504 2.433 1.00 42.35 H new ATOM 0 HD2 PRO A 125 -18.223 -1.102 2.137 1.00 44.14 H new ATOM 0 HD3 PRO A 125 -19.015 -2.533 1.509 1.00 44.14 H new ATOM 1989 N ILE A 126 -20.053 1.791 -1.677 1.00 65.21 N ATOM 1990 CA ILE A 126 -19.770 3.202 -1.947 1.00 45.22 C ATOM 1991 C ILE A 126 -20.420 4.103 -0.887 1.00 64.43 C ATOM 1992 O ILE A 126 -19.867 5.164 -0.581 1.00 5.21 O ATOM 1993 CB ILE A 126 -20.225 3.575 -3.377 1.00 63.24 C ATOM 1994 CG1 ILE A 126 -19.364 2.831 -4.427 1.00 33.41 C ATOM 1995 CG2 ILE A 126 -20.106 5.089 -3.641 1.00 72.03 C ATOM 1996 CD1 ILE A 126 -20.049 2.750 -5.789 1.00 30.33 C ATOM 0 H ILE A 126 -20.613 1.334 -2.396 1.00 65.21 H new ATOM 0 HA ILE A 126 -18.693 3.362 -1.888 1.00 45.22 H new ATOM 0 HB ILE A 126 -21.271 3.281 -3.462 1.00 63.24 H new ATOM 0 HG12 ILE A 126 -18.406 3.340 -4.535 1.00 33.41 H new ATOM 0 HG13 ILE A 126 -19.151 1.823 -4.070 1.00 33.41 H new ATOM 0 HG21 ILE A 126 -20.436 5.308 -4.657 1.00 72.03 H new ATOM 0 HG22 ILE A 126 -20.730 5.632 -2.932 1.00 72.03 H new ATOM 0 HG23 ILE A 126 -19.068 5.399 -3.522 1.00 72.03 H new ATOM 0 HD11 ILE A 126 -19.404 2.219 -6.490 1.00 30.33 H new ATOM 0 HD12 ILE A 126 -20.994 2.216 -5.690 1.00 30.33 H new ATOM 0 HD13 ILE A 126 -20.238 3.757 -6.162 1.00 30.33 H new ATOM 2008 N ASN A 127 -21.572 3.709 -0.326 1.00 45.35 N ATOM 2009 CA ASN A 127 -22.330 4.576 0.580 1.00 10.12 C ATOM 2010 C ASN A 127 -21.624 4.808 1.908 1.00 11.21 C ATOM 2011 O ASN A 127 -21.929 5.782 2.599 1.00 41.44 O ATOM 2012 CB ASN A 127 -23.756 4.062 0.811 1.00 21.24 C ATOM 2013 CG ASN A 127 -23.868 2.619 1.276 1.00 71.02 C ATOM 2014 OD1 ASN A 127 -23.653 1.725 0.470 1.00 23.44 O ATOM 2015 ND2 ASN A 127 -24.287 2.330 2.494 1.00 3.13 N ATOM 0 H ASN A 127 -21.997 2.796 -0.485 1.00 45.35 H new ATOM 0 HA ASN A 127 -22.394 5.540 0.076 1.00 10.12 H new ATOM 0 HB2 ASN A 127 -24.238 4.701 1.551 1.00 21.24 H new ATOM 0 HB3 ASN A 127 -24.317 4.170 -0.118 1.00 21.24 H new ATOM 0 HD21 ASN A 127 -24.433 1.358 2.766 1.00 3.13 H new ATOM 0 HD22 ASN A 127 -24.465 3.079 3.163 1.00 3.13 H new ATOM 2022 N GLU A 128 -20.653 3.968 2.234 1.00 54.23 N ATOM 2023 CA GLU A 128 -19.880 4.025 3.473 1.00 30.11 C ATOM 2024 C GLU A 128 -18.468 4.594 3.299 1.00 4.33 C ATOM 2025 O GLU A 128 -17.742 4.753 4.277 1.00 61.15 O ATOM 2026 CB GLU A 128 -19.838 2.620 4.085 1.00 64.32 C ATOM 2027 CG GLU A 128 -21.212 2.141 4.596 1.00 74.25 C ATOM 2028 CD GLU A 128 -21.925 3.109 5.555 1.00 44.15 C ATOM 2029 OE1 GLU A 128 -21.268 3.925 6.239 1.00 3.14 O ATOM 2030 OE2 GLU A 128 -23.166 3.045 5.696 1.00 50.31 O ATOM 0 H GLU A 128 -20.369 3.201 1.625 1.00 54.23 H new ATOM 0 HA GLU A 128 -20.381 4.722 4.144 1.00 30.11 H new ATOM 0 HB2 GLU A 128 -19.469 1.916 3.339 1.00 64.32 H new ATOM 0 HB3 GLU A 128 -19.127 2.611 4.911 1.00 64.32 H new ATOM 0 HG2 GLU A 128 -21.859 1.962 3.738 1.00 74.25 H new ATOM 0 HG3 GLU A 128 -21.081 1.184 5.101 1.00 74.25 H new ATOM 2037 N LEU A 129 -18.073 4.946 2.077 1.00 5.14 N ATOM 2038 CA LEU A 129 -16.695 5.290 1.739 1.00 53.23 C ATOM 2039 C LEU A 129 -16.137 6.439 2.567 1.00 54.53 C ATOM 2040 O LEU A 129 -15.009 6.384 3.053 1.00 34.32 O ATOM 2041 CB LEU A 129 -16.662 5.591 0.247 1.00 25.41 C ATOM 2042 CG LEU A 129 -15.230 5.553 -0.292 1.00 24.10 C ATOM 2043 CD1 LEU A 129 -15.332 5.242 -1.781 1.00 64.43 C ATOM 2044 CD2 LEU A 129 -14.459 6.851 -0.158 1.00 73.25 C ATOM 0 H LEU A 129 -18.711 5.001 1.283 1.00 5.14 H new ATOM 0 HA LEU A 129 -16.044 4.450 1.979 1.00 53.23 H new ATOM 0 HB2 LEU A 129 -17.274 4.864 -0.287 1.00 25.41 H new ATOM 0 HB3 LEU A 129 -17.098 6.573 0.061 1.00 25.41 H new ATOM 0 HG LEU A 129 -14.689 4.811 0.295 1.00 24.10 H new ATOM 0 HD11 LEU A 129 -14.332 5.204 -2.214 1.00 64.43 H new ATOM 0 HD12 LEU A 129 -15.824 4.279 -1.919 1.00 64.43 H new ATOM 0 HD13 LEU A 129 -15.912 6.020 -2.276 1.00 64.43 H new ATOM 0 HD21 LEU A 129 -13.457 6.723 -0.568 1.00 73.25 H new ATOM 0 HD22 LEU A 129 -14.976 7.640 -0.704 1.00 73.25 H new ATOM 0 HD23 LEU A 129 -14.388 7.125 0.895 1.00 73.25 H new ATOM 2056 N GLU A 130 -16.905 7.512 2.690 1.00 73.02 N ATOM 2057 CA GLU A 130 -16.489 8.720 3.381 1.00 2.44 C ATOM 2058 C GLU A 130 -16.063 8.430 4.827 1.00 14.11 C ATOM 2059 O GLU A 130 -15.112 9.045 5.315 1.00 24.31 O ATOM 2060 CB GLU A 130 -17.668 9.688 3.369 1.00 44.43 C ATOM 2061 CG GLU A 130 -18.047 10.218 1.981 1.00 43.21 C ATOM 2062 CD GLU A 130 -19.386 10.961 1.980 1.00 45.53 C ATOM 2063 OE1 GLU A 130 -19.963 11.225 3.069 1.00 43.12 O ATOM 2064 OE2 GLU A 130 -19.904 11.194 0.864 1.00 5.52 O ATOM 0 H GLU A 130 -17.848 7.567 2.306 1.00 73.02 H new ATOM 0 HA GLU A 130 -15.624 9.147 2.874 1.00 2.44 H new ATOM 0 HB2 GLU A 130 -18.535 9.189 3.802 1.00 44.43 H new ATOM 0 HB3 GLU A 130 -17.433 10.534 4.014 1.00 44.43 H new ATOM 0 HG2 GLU A 130 -17.264 10.888 1.626 1.00 43.21 H new ATOM 0 HG3 GLU A 130 -18.097 9.385 1.279 1.00 43.21 H new ATOM 2071 N GLU A 131 -16.752 7.496 5.491 1.00 30.32 N ATOM 2072 CA GLU A 131 -16.427 7.001 6.823 1.00 11.52 C ATOM 2073 C GLU A 131 -15.109 6.226 6.779 1.00 50.55 C ATOM 2074 O GLU A 131 -14.275 6.420 7.657 1.00 33.23 O ATOM 2075 CB GLU A 131 -17.615 6.170 7.355 1.00 13.30 C ATOM 2076 CG GLU A 131 -17.387 5.422 8.678 1.00 1.20 C ATOM 2077 CD GLU A 131 -17.197 3.914 8.479 1.00 62.45 C ATOM 2078 OE1 GLU A 131 -18.204 3.163 8.407 1.00 32.33 O ATOM 2079 OE2 GLU A 131 -16.040 3.448 8.401 1.00 44.45 O ATOM 0 H GLU A 131 -17.581 7.051 5.097 1.00 30.32 H new ATOM 0 HA GLU A 131 -16.275 7.824 7.521 1.00 11.52 H new ATOM 0 HB2 GLU A 131 -18.468 6.836 7.482 1.00 13.30 H new ATOM 0 HB3 GLU A 131 -17.890 5.441 6.593 1.00 13.30 H new ATOM 0 HG2 GLU A 131 -16.509 5.832 9.176 1.00 1.20 H new ATOM 0 HG3 GLU A 131 -18.237 5.593 9.339 1.00 1.20 H new ATOM 2086 N THR A 132 -14.850 5.439 5.731 1.00 64.23 N ATOM 2087 CA THR A 132 -13.598 4.706 5.601 1.00 61.13 C ATOM 2088 C THR A 132 -12.412 5.666 5.553 1.00 13.12 C ATOM 2089 O THR A 132 -11.424 5.472 6.260 1.00 21.30 O ATOM 2090 CB THR A 132 -13.597 3.854 4.327 1.00 11.41 C ATOM 2091 OG1 THR A 132 -14.775 3.093 4.158 1.00 33.43 O ATOM 2092 CG2 THR A 132 -12.383 2.930 4.331 1.00 45.25 C ATOM 0 H THR A 132 -15.499 5.296 4.957 1.00 64.23 H new ATOM 0 HA THR A 132 -13.506 4.057 6.472 1.00 61.13 H new ATOM 0 HB THR A 132 -13.551 4.547 3.487 1.00 11.41 H new ATOM 0 HG1 THR A 132 -14.611 2.169 4.440 1.00 33.43 H new ATOM 0 HG21 THR A 132 -12.383 2.325 3.425 1.00 45.25 H new ATOM 0 HG22 THR A 132 -11.472 3.527 4.368 1.00 45.25 H new ATOM 0 HG23 THR A 132 -12.425 2.277 5.203 1.00 45.25 H new ATOM 2100 N ILE A 133 -12.504 6.713 4.726 1.00 54.51 N ATOM 2101 CA ILE A 133 -11.450 7.714 4.634 1.00 50.34 C ATOM 2102 C ILE A 133 -11.215 8.377 6.010 1.00 3.31 C ATOM 2103 O ILE A 133 -10.089 8.802 6.277 1.00 1.51 O ATOM 2104 CB ILE A 133 -11.733 8.724 3.494 1.00 54.33 C ATOM 2105 CG1 ILE A 133 -11.866 8.019 2.124 1.00 24.24 C ATOM 2106 CG2 ILE A 133 -10.552 9.700 3.351 1.00 65.33 C ATOM 2107 CD1 ILE A 133 -12.253 8.970 0.980 1.00 65.31 C ATOM 0 H ILE A 133 -13.301 6.884 4.113 1.00 54.51 H new ATOM 0 HA ILE A 133 -10.514 7.225 4.364 1.00 50.34 H new ATOM 0 HB ILE A 133 -12.661 9.233 3.755 1.00 54.33 H new ATOM 0 HG12 ILE A 133 -10.920 7.536 1.880 1.00 24.24 H new ATOM 0 HG13 ILE A 133 -12.616 7.232 2.201 1.00 24.24 H new ATOM 0 HG21 ILE A 133 -10.759 10.407 2.547 1.00 65.33 H new ATOM 0 HG22 ILE A 133 -10.414 10.244 4.286 1.00 65.33 H new ATOM 0 HG23 ILE A 133 -9.645 9.142 3.119 1.00 65.33 H new ATOM 0 HD11 ILE A 133 -12.328 8.408 0.049 1.00 65.31 H new ATOM 0 HD12 ILE A 133 -13.214 9.434 1.202 1.00 65.31 H new ATOM 0 HD13 ILE A 133 -11.492 9.743 0.876 1.00 65.31 H new ATOM 2119 N GLN A 134 -12.212 8.441 6.901 1.00 53.11 N ATOM 2120 CA GLN A 134 -11.997 8.948 8.255 1.00 30.00 C ATOM 2121 C GLN A 134 -11.321 7.876 9.122 1.00 31.24 C ATOM 2122 O GLN A 134 -10.413 8.202 9.886 1.00 43.11 O ATOM 2123 CB GLN A 134 -13.305 9.435 8.919 1.00 5.53 C ATOM 2124 CG GLN A 134 -14.187 10.385 8.075 1.00 61.12 C ATOM 2125 CD GLN A 134 -14.342 11.828 8.576 1.00 1.12 C ATOM 2126 OE1 GLN A 134 -14.221 12.136 9.762 1.00 70.45 O ATOM 2127 NE2 GLN A 134 -14.643 12.752 7.671 1.00 30.24 N ATOM 0 H GLN A 134 -13.170 8.149 6.707 1.00 53.11 H new ATOM 0 HA GLN A 134 -11.340 9.814 8.174 1.00 30.00 H new ATOM 0 HB2 GLN A 134 -13.900 8.561 9.185 1.00 5.53 H new ATOM 0 HB3 GLN A 134 -13.049 9.942 9.849 1.00 5.53 H new ATOM 0 HG2 GLN A 134 -13.776 10.420 7.066 1.00 61.12 H new ATOM 0 HG3 GLN A 134 -15.181 9.945 7.999 1.00 61.12 H new ATOM 0 HE21 GLN A 134 -14.742 12.492 6.690 1.00 30.24 H new ATOM 0 HE22 GLN A 134 -14.775 13.722 7.957 1.00 30.24 H new ATOM 2136 N ALA A 135 -11.731 6.607 9.004 1.00 34.33 N ATOM 2137 CA ALA A 135 -11.224 5.529 9.861 1.00 65.04 C ATOM 2138 C ALA A 135 -9.752 5.232 9.604 1.00 42.41 C ATOM 2139 O ALA A 135 -9.026 4.883 10.533 1.00 44.24 O ATOM 2140 CB ALA A 135 -11.977 4.223 9.636 1.00 65.12 C ATOM 0 H ALA A 135 -12.419 6.300 8.316 1.00 34.33 H new ATOM 0 HA ALA A 135 -11.367 5.888 10.880 1.00 65.04 H new ATOM 0 HB1 ALA A 135 -11.570 3.451 10.290 1.00 65.12 H new ATOM 0 HB2 ALA A 135 -13.034 4.369 9.860 1.00 65.12 H new ATOM 0 HB3 ALA A 135 -11.866 3.913 8.597 1.00 65.12 H new ATOM 2146 N VAL A 136 -9.288 5.371 8.365 1.00 51.24 N ATOM 2147 CA VAL A 136 -7.867 5.220 8.099 1.00 10.30 C ATOM 2148 C VAL A 136 -7.098 6.284 8.894 1.00 24.44 C ATOM 2149 O VAL A 136 -6.120 5.988 9.570 1.00 72.24 O ATOM 2150 CB VAL A 136 -7.624 5.188 6.579 1.00 32.24 C ATOM 2151 CG1 VAL A 136 -8.065 6.423 5.824 1.00 34.02 C ATOM 2152 CG2 VAL A 136 -6.156 4.941 6.241 1.00 34.43 C ATOM 0 H VAL A 136 -9.862 5.583 7.549 1.00 51.24 H new ATOM 0 HA VAL A 136 -7.475 4.266 8.451 1.00 10.30 H new ATOM 0 HB VAL A 136 -8.253 4.360 6.252 1.00 32.24 H new ATOM 0 HG11 VAL A 136 -7.849 6.297 4.763 1.00 34.02 H new ATOM 0 HG12 VAL A 136 -9.136 6.570 5.961 1.00 34.02 H new ATOM 0 HG13 VAL A 136 -7.528 7.292 6.203 1.00 34.02 H new ATOM 0 HG21 VAL A 136 -6.029 4.926 5.158 1.00 34.43 H new ATOM 0 HG22 VAL A 136 -5.546 5.737 6.667 1.00 34.43 H new ATOM 0 HG23 VAL A 136 -5.843 3.983 6.656 1.00 34.43 H new ATOM 2162 N GLN A 137 -7.579 7.525 8.927 1.00 50.15 N ATOM 2163 CA GLN A 137 -6.853 8.610 9.560 1.00 54.32 C ATOM 2164 C GLN A 137 -6.801 8.449 11.085 1.00 61.13 C ATOM 2165 O GLN A 137 -5.885 8.997 11.704 1.00 32.13 O ATOM 2166 CB GLN A 137 -7.486 9.943 9.176 1.00 4.23 C ATOM 2167 CG GLN A 137 -7.476 10.146 7.653 1.00 72.14 C ATOM 2168 CD GLN A 137 -6.165 10.707 7.101 1.00 25.24 C ATOM 2169 OE1 GLN A 137 -5.144 10.795 7.783 1.00 53.43 O ATOM 2170 NE2 GLN A 137 -6.167 11.148 5.856 1.00 12.51 N ATOM 0 H GLN A 137 -8.473 7.799 8.519 1.00 50.15 H new ATOM 0 HA GLN A 137 -5.823 8.585 9.203 1.00 54.32 H new ATOM 0 HB2 GLN A 137 -8.511 9.981 9.544 1.00 4.23 H new ATOM 0 HB3 GLN A 137 -6.945 10.757 9.657 1.00 4.23 H new ATOM 0 HG2 GLN A 137 -7.681 9.191 7.170 1.00 72.14 H new ATOM 0 HG3 GLN A 137 -8.288 10.821 7.383 1.00 72.14 H new ATOM 0 HE21 GLN A 137 -7.013 11.075 5.291 1.00 12.51 H new ATOM 0 HE22 GLN A 137 -5.323 11.561 5.460 1.00 12.51 H new ATOM 2179 N GLU A 138 -7.746 7.702 11.672 1.00 2.31 N ATOM 2180 CA GLU A 138 -7.725 7.282 13.067 1.00 25.03 C ATOM 2181 C GLU A 138 -6.496 6.417 13.301 1.00 74.15 C ATOM 2182 O GLU A 138 -5.711 6.730 14.193 1.00 74.31 O ATOM 2183 CB GLU A 138 -8.982 6.489 13.457 1.00 54.54 C ATOM 2184 CG GLU A 138 -10.182 7.345 13.861 1.00 30.24 C ATOM 2185 CD GLU A 138 -9.963 8.074 15.186 1.00 74.11 C ATOM 2186 OE1 GLU A 138 -9.820 7.416 16.237 1.00 23.43 O ATOM 2187 OE2 GLU A 138 -9.961 9.328 15.186 1.00 62.25 O ATOM 0 H GLU A 138 -8.567 7.367 11.169 1.00 2.31 H new ATOM 0 HA GLU A 138 -7.697 8.179 13.686 1.00 25.03 H new ATOM 0 HB2 GLU A 138 -9.271 5.857 12.617 1.00 54.54 H new ATOM 0 HB3 GLU A 138 -8.733 5.825 14.284 1.00 54.54 H new ATOM 0 HG2 GLU A 138 -10.383 8.075 13.077 1.00 30.24 H new ATOM 0 HG3 GLU A 138 -11.065 6.712 13.941 1.00 30.24 H new ATOM 2194 N GLU A 139 -6.312 5.324 12.554 1.00 11.11 N ATOM 2195 CA GLU A 139 -5.099 4.531 12.743 1.00 3.43 C ATOM 2196 C GLU A 139 -3.841 5.355 12.432 1.00 62.12 C ATOM 2197 O GLU A 139 -2.851 5.244 13.154 1.00 21.00 O ATOM 2198 CB GLU A 139 -5.076 3.134 12.142 1.00 3.44 C ATOM 2199 CG GLU A 139 -5.407 3.142 10.685 1.00 4.10 C ATOM 2200 CD GLU A 139 -4.845 1.911 9.940 1.00 2.13 C ATOM 2201 OE1 GLU A 139 -4.687 0.836 10.571 1.00 64.22 O ATOM 2202 OE2 GLU A 139 -4.545 2.031 8.730 1.00 24.14 O ATOM 0 H GLU A 139 -6.958 4.981 11.843 1.00 11.11 H new ATOM 0 HA GLU A 139 -5.105 4.296 13.807 1.00 3.43 H new ATOM 0 HB2 GLU A 139 -4.089 2.694 12.286 1.00 3.44 H new ATOM 0 HB3 GLU A 139 -5.788 2.501 12.671 1.00 3.44 H new ATOM 0 HG2 GLU A 139 -6.490 3.173 10.563 1.00 4.10 H new ATOM 0 HG3 GLU A 139 -5.009 4.049 10.231 1.00 4.10 H new ATOM 2209 N ASN A 140 -3.892 6.238 11.425 1.00 22.03 N ATOM 2210 CA ASN A 140 -2.732 7.020 10.990 1.00 74.34 C ATOM 2211 C ASN A 140 -2.152 7.845 12.125 1.00 14.32 C ATOM 2212 O ASN A 140 -0.935 7.869 12.266 1.00 33.13 O ATOM 2213 CB ASN A 140 -3.051 7.992 9.843 1.00 41.44 C ATOM 2214 CG ASN A 140 -3.260 7.318 8.500 1.00 73.43 C ATOM 2215 OD1 ASN A 140 -3.665 6.175 8.401 1.00 25.01 O ATOM 2216 ND2 ASN A 140 -2.952 7.982 7.412 1.00 72.22 N ATOM 0 H ASN A 140 -4.740 6.428 10.891 1.00 22.03 H new ATOM 0 HA ASN A 140 -2.016 6.275 10.644 1.00 74.34 H new ATOM 0 HB2 ASN A 140 -3.948 8.556 10.098 1.00 41.44 H new ATOM 0 HB3 ASN A 140 -2.237 8.711 9.754 1.00 41.44 H new ATOM 0 HD21 ASN A 140 -3.053 7.539 6.499 1.00 72.22 H new ATOM 0 HD22 ASN A 140 -2.611 8.941 7.479 1.00 72.22 H new ATOM 2223 N LYS A 141 -2.978 8.545 12.917 1.00 41.11 N ATOM 2224 CA LYS A 141 -2.450 9.377 14.006 1.00 52.33 C ATOM 2225 C LYS A 141 -1.661 8.542 15.009 1.00 41.11 C ATOM 2226 O LYS A 141 -0.592 8.965 15.427 1.00 31.02 O ATOM 2227 CB LYS A 141 -3.519 10.223 14.708 1.00 70.43 C ATOM 2228 CG LYS A 141 -4.767 9.415 15.051 1.00 71.23 C ATOM 2229 CD LYS A 141 -5.749 10.143 15.950 1.00 13.52 C ATOM 2230 CE LYS A 141 -5.292 10.119 17.410 1.00 1.24 C ATOM 2231 NZ LYS A 141 -6.253 10.818 18.282 1.00 53.43 N ATOM 0 H LYS A 141 -3.994 8.552 12.827 1.00 41.11 H new ATOM 0 HA LYS A 141 -1.770 10.086 13.534 1.00 52.33 H new ATOM 0 HB2 LYS A 141 -3.101 10.647 15.621 1.00 70.43 H new ATOM 0 HB3 LYS A 141 -3.796 11.059 14.066 1.00 70.43 H new ATOM 0 HG2 LYS A 141 -5.274 9.139 14.126 1.00 71.23 H new ATOM 0 HG3 LYS A 141 -4.464 8.488 15.538 1.00 71.23 H new ATOM 0 HD2 LYS A 141 -5.853 11.176 15.617 1.00 13.52 H new ATOM 0 HD3 LYS A 141 -6.732 9.680 15.867 1.00 13.52 H new ATOM 0 HE2 LYS A 141 -5.180 9.087 17.742 1.00 1.24 H new ATOM 0 HE3 LYS A 141 -4.312 10.589 17.495 1.00 1.24 H new ATOM 0 HZ1 LYS A 141 -5.917 10.785 19.266 1.00 53.43 H new ATOM 0 HZ2 LYS A 141 -6.340 11.809 17.979 1.00 53.43 H new ATOM 0 HZ3 LYS A 141 -7.181 10.354 18.218 1.00 53.43 H new ATOM 2245 N ALA A 142 -2.159 7.362 15.377 1.00 25.43 N ATOM 2246 CA ALA A 142 -1.449 6.455 16.274 1.00 65.03 C ATOM 2247 C ALA A 142 -0.074 6.085 15.718 1.00 31.02 C ATOM 2248 O ALA A 142 0.883 5.977 16.485 1.00 2.33 O ATOM 2249 CB ALA A 142 -2.273 5.188 16.503 1.00 44.21 C ATOM 0 H ALA A 142 -3.063 7.010 15.062 1.00 25.43 H new ATOM 0 HA ALA A 142 -1.305 6.970 17.224 1.00 65.03 H new ATOM 0 HB1 ALA A 142 -1.733 4.519 17.173 1.00 44.21 H new ATOM 0 HB2 ALA A 142 -3.232 5.453 16.949 1.00 44.21 H new ATOM 0 HB3 ALA A 142 -2.442 4.687 15.550 1.00 44.21 H new ATOM 2255 N PHE A 143 0.025 5.865 14.408 1.00 25.42 N ATOM 2256 CA PHE A 143 1.293 5.619 13.749 1.00 41.22 C ATOM 2257 C PHE A 143 2.167 6.874 13.835 1.00 45.53 C ATOM 2258 O PHE A 143 3.227 6.844 14.454 1.00 10.41 O ATOM 2259 CB PHE A 143 1.023 5.164 12.311 1.00 51.11 C ATOM 2260 CG PHE A 143 2.249 4.757 11.520 1.00 31.20 C ATOM 2261 CD1 PHE A 143 3.035 5.726 10.861 1.00 24.23 C ATOM 2262 CD2 PHE A 143 2.551 3.390 11.376 1.00 30.34 C ATOM 2263 CE1 PHE A 143 4.113 5.319 10.054 1.00 51.42 C ATOM 2264 CE2 PHE A 143 3.603 2.982 10.546 1.00 50.23 C ATOM 2265 CZ PHE A 143 4.361 3.945 9.863 1.00 3.22 C ATOM 0 H PHE A 143 -0.777 5.854 13.778 1.00 25.42 H new ATOM 0 HA PHE A 143 1.847 4.821 14.243 1.00 41.22 H new ATOM 0 HB2 PHE A 143 0.332 4.322 12.338 1.00 51.11 H new ATOM 0 HB3 PHE A 143 0.520 5.972 11.780 1.00 51.11 H new ATOM 0 HD1 PHE A 143 2.810 6.776 10.976 1.00 24.23 H new ATOM 0 HD2 PHE A 143 1.969 2.652 11.908 1.00 30.34 H new ATOM 0 HE1 PHE A 143 4.747 6.056 9.583 1.00 51.42 H new ATOM 0 HE2 PHE A 143 3.829 1.932 10.432 1.00 50.23 H new ATOM 0 HZ PHE A 143 5.141 3.631 9.185 1.00 3.22 H new ATOM 2275 N GLU A 144 1.755 7.985 13.220 1.00 51.43 N ATOM 2276 CA GLU A 144 2.615 9.154 13.044 1.00 62.41 C ATOM 2277 C GLU A 144 2.993 9.845 14.362 1.00 73.05 C ATOM 2278 O GLU A 144 4.080 10.422 14.447 1.00 33.32 O ATOM 2279 CB GLU A 144 2.036 10.136 12.023 1.00 11.54 C ATOM 2280 CG GLU A 144 0.634 10.637 12.358 1.00 31.24 C ATOM 2281 CD GLU A 144 0.445 12.143 12.150 1.00 31.23 C ATOM 2282 OE1 GLU A 144 0.336 12.566 10.975 1.00 52.14 O ATOM 2283 OE2 GLU A 144 0.370 12.927 13.121 1.00 2.53 O ATOM 0 H GLU A 144 0.819 8.098 12.832 1.00 51.43 H new ATOM 0 HA GLU A 144 3.553 8.774 12.638 1.00 62.41 H new ATOM 0 HB2 GLU A 144 2.705 10.993 11.940 1.00 11.54 H new ATOM 0 HB3 GLU A 144 2.013 9.654 11.046 1.00 11.54 H new ATOM 0 HG2 GLU A 144 -0.089 10.102 11.742 1.00 31.24 H new ATOM 0 HG3 GLU A 144 0.410 10.393 13.397 1.00 31.24 H new ATOM 2290 N GLU A 145 2.166 9.734 15.408 1.00 5.54 N ATOM 2291 CA GLU A 145 2.476 10.221 16.748 1.00 21.01 C ATOM 2292 C GLU A 145 3.781 9.575 17.233 1.00 12.42 C ATOM 2293 O GLU A 145 4.646 10.262 17.791 1.00 25.13 O ATOM 2294 CB GLU A 145 1.299 9.916 17.697 1.00 41.11 C ATOM 2295 CG GLU A 145 1.492 10.398 19.147 1.00 53.33 C ATOM 2296 CD GLU A 145 0.485 9.789 20.137 1.00 25.14 C ATOM 2297 OE1 GLU A 145 -0.746 9.816 19.901 1.00 63.45 O ATOM 2298 OE2 GLU A 145 0.926 9.299 21.206 1.00 31.41 O ATOM 0 H GLU A 145 1.248 9.295 15.341 1.00 5.54 H new ATOM 0 HA GLU A 145 2.618 11.302 16.733 1.00 21.01 H new ATOM 0 HB2 GLU A 145 0.397 10.377 17.294 1.00 41.11 H new ATOM 0 HB3 GLU A 145 1.129 8.839 17.707 1.00 41.11 H new ATOM 0 HG2 GLU A 145 2.503 10.151 19.472 1.00 53.33 H new ATOM 0 HG3 GLU A 145 1.405 11.484 19.175 1.00 53.33 H new ATOM 2305 N LEU A 146 3.942 8.271 16.990 1.00 64.45 N ATOM 2306 CA LEU A 146 5.045 7.460 17.504 1.00 4.23 C ATOM 2307 C LEU A 146 6.129 7.177 16.468 1.00 3.22 C ATOM 2308 O LEU A 146 7.194 6.688 16.843 1.00 23.01 O ATOM 2309 CB LEU A 146 4.518 6.146 18.121 1.00 14.21 C ATOM 2310 CG LEU A 146 3.959 6.240 19.555 1.00 4.54 C ATOM 2311 CD1 LEU A 146 4.799 7.143 20.470 1.00 34.02 C ATOM 2312 CD2 LEU A 146 2.512 6.719 19.603 1.00 33.00 C ATOM 0 H LEU A 146 3.290 7.738 16.415 1.00 64.45 H new ATOM 0 HA LEU A 146 5.521 8.055 18.283 1.00 4.23 H new ATOM 0 HB2 LEU A 146 3.734 5.754 17.473 1.00 14.21 H new ATOM 0 HB3 LEU A 146 5.328 5.417 18.117 1.00 14.21 H new ATOM 0 HG LEU A 146 4.007 5.215 19.924 1.00 4.54 H new ATOM 0 HD11 LEU A 146 4.354 7.168 21.465 1.00 34.02 H new ATOM 0 HD12 LEU A 146 5.814 6.751 20.536 1.00 34.02 H new ATOM 0 HD13 LEU A 146 4.826 8.152 20.059 1.00 34.02 H new ATOM 0 HD21 LEU A 146 2.178 6.764 20.640 1.00 33.00 H new ATOM 0 HD22 LEU A 146 2.442 7.711 19.156 1.00 33.00 H new ATOM 0 HD23 LEU A 146 1.881 6.025 19.048 1.00 33.00 H new ATOM 2324 N HIS A 147 5.904 7.525 15.206 1.00 23.20 N ATOM 2325 CA HIS A 147 6.831 7.288 14.105 1.00 50.55 C ATOM 2326 C HIS A 147 7.188 8.614 13.413 1.00 43.21 C ATOM 2327 O HIS A 147 6.742 8.868 12.287 1.00 12.43 O ATOM 2328 CB HIS A 147 6.264 6.230 13.153 1.00 30.04 C ATOM 2329 CG HIS A 147 6.226 4.837 13.742 1.00 21.44 C ATOM 2330 ND1 HIS A 147 7.082 3.801 13.430 1.00 72.33 N ATOM 2331 CD2 HIS A 147 5.354 4.375 14.694 1.00 2.23 C ATOM 2332 CE1 HIS A 147 6.729 2.743 14.179 1.00 34.43 C ATOM 2333 NE2 HIS A 147 5.695 3.050 14.980 1.00 21.21 N ATOM 0 H HIS A 147 5.047 7.993 14.912 1.00 23.20 H new ATOM 0 HA HIS A 147 7.768 6.883 14.488 1.00 50.55 H new ATOM 0 HB2 HIS A 147 5.254 6.520 12.863 1.00 30.04 H new ATOM 0 HB3 HIS A 147 6.865 6.214 12.244 1.00 30.04 H new ATOM 0 HD2 HIS A 147 4.547 4.935 15.143 1.00 2.23 H new ATOM 0 HE1 HIS A 147 7.211 1.777 14.142 1.00 34.43 H new ATOM 0 HE2 HIS A 147 5.247 2.437 15.662 1.00 21.21 H new ATOM 2341 N PRO A 148 7.984 9.473 14.079 1.00 44.15 N ATOM 2342 CA PRO A 148 8.488 10.716 13.513 1.00 53.44 C ATOM 2343 C PRO A 148 9.397 10.432 12.323 1.00 72.33 C ATOM 2344 O PRO A 148 10.278 9.553 12.442 1.00 2.44 O ATOM 2345 CB PRO A 148 9.230 11.432 14.644 1.00 2.34 C ATOM 2346 CG PRO A 148 9.624 10.299 15.584 1.00 33.34 C ATOM 2347 CD PRO A 148 8.491 9.300 15.432 1.00 13.40 C ATOM 0 HA PRO A 148 7.682 11.344 13.133 1.00 53.44 H new ATOM 0 HB2 PRO A 148 10.104 11.969 14.274 1.00 2.34 H new ATOM 0 HB3 PRO A 148 8.593 12.164 15.142 1.00 2.34 H new ATOM 0 HG2 PRO A 148 10.583 9.863 15.306 1.00 33.34 H new ATOM 0 HG3 PRO A 148 9.718 10.646 16.613 1.00 33.34 H new ATOM 0 HD2 PRO A 148 8.845 8.281 15.589 1.00 13.40 H new ATOM 0 HD3 PRO A 148 7.708 9.482 16.168 1.00 13.40 H new