USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 555 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 142 GLN : amide:sc= -0.112 X(o=-0.87,f=-0.82) USER MOD Set 1.2: B 145 GLN : amide:sc= -0.759 X(o=-0.87,f=-0.82) USER MOD Single : B 134 GLN : amide:sc= -0.443 K(o=-0.44,f=-2.3) USER MOD Single : B 137 SER OG : rot -48:sc= 0.201 USER MOD Single : B 138 SER OG : rot 142:sc= -0.329 USER MOD Single : B 140 ASN : amide:sc= -8.73! C(o=-8.7!,f=-14!) USER MOD Single : B 152 SER OG : rot 58:sc= 1.22 USER MOD Single : B 153 ASN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : B 156 SER OG : rot -31:sc= 0.0374 USER MOD Single : B 159 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 161 GLN : amide:sc= -0.0753 K(o=-0.075,f=-3.9!) USER MOD Single : B 162 LYS NZ :NH3+ 157:sc= 0.772 (180deg=0.4) USER MOD Single : B 163 GLN : amide:sc= 0.332 K(o=0.33,f=-0.61) USER MOD Single : B 166 LYS NZ :NH3+ -122:sc= -0.108 (180deg=-0.705) USER MOD Single : B 173 LYS NZ :NH3+ 150:sc= 1.95 (180deg=1.37) USER MOD Single : B 176 GLN : amide:sc= -0.0221 X(o=-0.022,f=-0.022) USER MOD Single : B 178 GLN : amide:sc= -0.803 X(o=-0.8,f=-0.59) USER MOD Single : B 179 SER OG : rot 180:sc= 0 USER MOD Single : B 180 HIS : no HE2:sc= -1.43 K(o=-1.4,f=-2.8!) USER MOD Single : B 182 ASN : amide:sc= 0.667 K(o=0.67,f=-9.2!) USER MOD Single : B 184 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 186 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 187 LYS NZ :NH3+ -122:sc= 0.127 (180deg=0) USER MOD Single : B 190 GLN : amide:sc= -1.59 K(o=-1.6,f=-6.8!) USER MOD Single : B 195 LYS NZ :NH3+ -139:sc= -0.606 (180deg=-1.58!) USER MOD Single : B 197 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : B 198 SER OG : rot 180:sc= 0.00438 USER MOD Single : B 199 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD ----------------------------------------------------------------- ATOM 176 N LEU B 129 -11.635 -4.096 2.760 1.00 55.53 N ATOM 177 CA LEU B 129 -11.500 -2.744 2.248 1.00 45.21 C ATOM 178 C LEU B 129 -10.425 -2.796 1.159 1.00 33.52 C ATOM 179 O LEU B 129 -9.250 -2.488 1.408 1.00 22.43 O ATOM 180 CB LEU B 129 -11.115 -1.750 3.386 1.00 71.14 C ATOM 181 CG LEU B 129 -11.436 -0.242 3.213 1.00 72.10 C ATOM 182 CD1 LEU B 129 -10.715 0.394 2.034 1.00 71.02 C ATOM 183 CD2 LEU B 129 -12.933 -0.019 3.130 1.00 45.41 C ATOM 0 HA LEU B 129 -12.444 -2.383 1.839 1.00 45.21 H new ATOM 0 HB2 LEU B 129 -11.608 -2.088 4.298 1.00 71.14 H new ATOM 0 HB3 LEU B 129 -10.041 -1.840 3.551 1.00 71.14 H new ATOM 0 HG LEU B 129 -11.056 0.262 4.102 1.00 72.10 H new ATOM 0 HD11 LEU B 129 -10.983 1.449 1.969 1.00 71.02 H new ATOM 0 HD12 LEU B 129 -9.638 0.301 2.173 1.00 71.02 H new ATOM 0 HD13 LEU B 129 -11.007 -0.112 1.113 1.00 71.02 H new ATOM 0 HD21 LEU B 129 -13.136 1.045 3.009 1.00 45.41 H new ATOM 0 HD22 LEU B 129 -13.335 -0.565 2.277 1.00 45.41 H new ATOM 0 HD23 LEU B 129 -13.405 -0.377 4.045 1.00 45.41 H new ATOM 195 N PRO B 130 -10.789 -3.305 -0.036 1.00 0.32 N ATOM 196 CA PRO B 130 -9.859 -3.445 -1.146 1.00 63.11 C ATOM 197 C PRO B 130 -9.353 -2.129 -1.647 1.00 21.50 C ATOM 198 O PRO B 130 -8.236 -2.057 -2.098 1.00 1.14 O ATOM 199 CB PRO B 130 -10.680 -4.103 -2.253 1.00 74.52 C ATOM 200 CG PRO B 130 -11.861 -4.680 -1.576 1.00 3.43 C ATOM 201 CD PRO B 130 -12.129 -3.805 -0.395 1.00 14.32 C ATOM 0 HA PRO B 130 -8.983 -4.014 -0.836 1.00 63.11 H new ATOM 0 HB2 PRO B 130 -10.977 -3.375 -3.008 1.00 74.52 H new ATOM 0 HB3 PRO B 130 -10.104 -4.875 -2.764 1.00 74.52 H new ATOM 0 HG2 PRO B 130 -12.721 -4.705 -2.246 1.00 3.43 H new ATOM 0 HG3 PRO B 130 -11.669 -5.707 -1.265 1.00 3.43 H new ATOM 0 HD2 PRO B 130 -12.810 -2.991 -0.643 1.00 14.32 H new ATOM 0 HD3 PRO B 130 -12.584 -4.362 0.424 1.00 14.32 H new ATOM 209 N ALA B 131 -10.160 -1.082 -1.532 1.00 12.31 N ATOM 210 CA ALA B 131 -9.820 0.220 -2.093 1.00 41.31 C ATOM 211 C ALA B 131 -8.456 0.720 -1.648 1.00 3.12 C ATOM 212 O ALA B 131 -7.754 1.322 -2.424 1.00 52.45 O ATOM 213 CB ALA B 131 -10.883 1.247 -1.811 1.00 12.14 C ATOM 0 H ALA B 131 -11.060 -1.110 -1.052 1.00 12.31 H new ATOM 0 HA ALA B 131 -9.768 0.072 -3.172 1.00 41.31 H new ATOM 0 HB1 ALA B 131 -10.590 2.203 -2.246 1.00 12.14 H new ATOM 0 HB2 ALA B 131 -11.827 0.923 -2.249 1.00 12.14 H new ATOM 0 HB3 ALA B 131 -11.003 1.360 -0.734 1.00 12.14 H new ATOM 219 N LEU B 132 -8.084 0.419 -0.411 1.00 31.23 N ATOM 220 CA LEU B 132 -6.779 0.792 0.116 1.00 71.30 C ATOM 221 C LEU B 132 -5.706 -0.045 -0.528 1.00 32.55 C ATOM 222 O LEU B 132 -4.653 0.449 -0.900 1.00 34.51 O ATOM 223 CB LEU B 132 -6.744 0.600 1.664 1.00 34.00 C ATOM 224 CG LEU B 132 -5.387 0.850 2.440 1.00 41.21 C ATOM 225 CD1 LEU B 132 -4.328 -0.242 2.245 1.00 25.22 C ATOM 226 CD2 LEU B 132 -4.818 2.233 2.153 1.00 65.03 C ATOM 0 H LEU B 132 -8.673 -0.087 0.250 1.00 31.23 H new ATOM 0 HA LEU B 132 -6.598 1.843 -0.111 1.00 71.30 H new ATOM 0 HB2 LEU B 132 -7.495 1.262 2.094 1.00 34.00 H new ATOM 0 HB3 LEU B 132 -7.060 -0.421 1.876 1.00 34.00 H new ATOM 0 HG LEU B 132 -5.658 0.800 3.495 1.00 41.21 H new ATOM 0 HD11 LEU B 132 -3.433 0.013 2.813 1.00 25.22 H new ATOM 0 HD12 LEU B 132 -4.721 -1.196 2.596 1.00 25.22 H new ATOM 0 HD13 LEU B 132 -4.076 -0.320 1.187 1.00 25.22 H new ATOM 0 HD21 LEU B 132 -3.887 2.365 2.704 1.00 65.03 H new ATOM 0 HD22 LEU B 132 -4.624 2.332 1.085 1.00 65.03 H new ATOM 0 HD23 LEU B 132 -5.535 2.993 2.464 1.00 65.03 H new ATOM 238 N VAL B 133 -5.971 -1.304 -0.668 1.00 20.30 N ATOM 239 CA VAL B 133 -4.942 -2.197 -1.070 1.00 2.44 C ATOM 240 C VAL B 133 -4.748 -2.156 -2.563 1.00 41.43 C ATOM 241 O VAL B 133 -3.715 -2.563 -3.089 1.00 11.14 O ATOM 242 CB VAL B 133 -5.224 -3.638 -0.622 1.00 33.41 C ATOM 243 CG1 VAL B 133 -6.093 -4.391 -1.559 1.00 1.21 C ATOM 244 CG2 VAL B 133 -3.983 -4.389 -0.336 1.00 60.04 C ATOM 0 H VAL B 133 -6.884 -1.731 -0.511 1.00 20.30 H new ATOM 0 HA VAL B 133 -4.026 -1.865 -0.581 1.00 2.44 H new ATOM 0 HB VAL B 133 -5.782 -3.540 0.309 1.00 33.41 H new ATOM 0 HG11 VAL B 133 -6.250 -5.400 -1.179 1.00 1.21 H new ATOM 0 HG12 VAL B 133 -7.054 -3.885 -1.651 1.00 1.21 H new ATOM 0 HG13 VAL B 133 -5.615 -4.442 -2.537 1.00 1.21 H new ATOM 0 HG21 VAL B 133 -4.235 -5.402 -0.023 1.00 60.04 H new ATOM 0 HG22 VAL B 133 -3.367 -4.429 -1.234 1.00 60.04 H new ATOM 0 HG23 VAL B 133 -3.431 -3.890 0.460 1.00 60.04 H new ATOM 254 N GLN B 134 -5.757 -1.691 -3.234 1.00 51.03 N ATOM 255 CA GLN B 134 -5.741 -1.653 -4.661 1.00 1.43 C ATOM 256 C GLN B 134 -4.601 -0.789 -5.214 1.00 10.22 C ATOM 257 O GLN B 134 -3.949 -1.164 -6.204 1.00 3.33 O ATOM 258 CB GLN B 134 -7.098 -1.293 -5.289 1.00 62.21 C ATOM 259 CG GLN B 134 -8.178 -2.346 -5.091 1.00 72.32 C ATOM 260 CD GLN B 134 -7.732 -3.746 -5.484 1.00 12.24 C ATOM 261 OE1 GLN B 134 -7.219 -4.501 -4.662 1.00 42.42 O ATOM 262 NE2 GLN B 134 -7.923 -4.102 -6.716 1.00 42.35 N ATOM 0 H GLN B 134 -6.610 -1.329 -2.809 1.00 51.03 H new ATOM 0 HA GLN B 134 -5.541 -2.680 -4.968 1.00 1.43 H new ATOM 0 HB2 GLN B 134 -7.443 -0.351 -4.864 1.00 62.21 H new ATOM 0 HB3 GLN B 134 -6.959 -1.129 -6.357 1.00 62.21 H new ATOM 0 HG2 GLN B 134 -8.484 -2.350 -4.045 1.00 72.32 H new ATOM 0 HG3 GLN B 134 -9.054 -2.073 -5.679 1.00 72.32 H new ATOM 0 HE21 GLN B 134 -8.352 -3.451 -7.374 1.00 42.35 H new ATOM 0 HE22 GLN B 134 -7.645 -5.033 -7.027 1.00 42.35 H new ATOM 271 N LEU B 135 -4.323 0.323 -4.540 1.00 31.00 N ATOM 272 CA LEU B 135 -3.224 1.201 -4.935 1.00 53.40 C ATOM 273 C LEU B 135 -1.883 0.614 -4.539 1.00 44.52 C ATOM 274 O LEU B 135 -0.884 0.996 -5.066 1.00 61.22 O ATOM 275 CB LEU B 135 -3.348 2.652 -4.387 1.00 12.34 C ATOM 276 CG LEU B 135 -3.693 2.814 -2.896 1.00 11.04 C ATOM 277 CD1 LEU B 135 -3.100 4.092 -2.324 1.00 24.03 C ATOM 278 CD2 LEU B 135 -5.184 2.892 -2.752 1.00 52.53 C ATOM 0 H LEU B 135 -4.841 0.638 -3.720 1.00 31.00 H new ATOM 0 HA LEU B 135 -3.288 1.269 -6.021 1.00 53.40 H new ATOM 0 HB2 LEU B 135 -2.404 3.165 -4.573 1.00 12.34 H new ATOM 0 HB3 LEU B 135 -4.112 3.169 -4.968 1.00 12.34 H new ATOM 0 HG LEU B 135 -3.281 1.960 -2.357 1.00 11.04 H new ATOM 0 HD11 LEU B 135 -3.363 4.175 -1.269 1.00 24.03 H new ATOM 0 HD12 LEU B 135 -2.015 4.067 -2.427 1.00 24.03 H new ATOM 0 HD13 LEU B 135 -3.496 4.951 -2.865 1.00 24.03 H new ATOM 0 HD21 LEU B 135 -5.442 3.007 -1.699 1.00 52.53 H new ATOM 0 HD22 LEU B 135 -5.559 3.748 -3.313 1.00 52.53 H new ATOM 0 HD23 LEU B 135 -5.635 1.978 -3.139 1.00 52.53 H new ATOM 290 N LEU B 136 -1.892 -0.364 -3.649 1.00 21.22 N ATOM 291 CA LEU B 136 -0.688 -0.989 -3.140 1.00 44.41 C ATOM 292 C LEU B 136 -0.075 -1.929 -4.151 1.00 40.11 C ATOM 293 O LEU B 136 1.054 -2.355 -4.011 1.00 61.31 O ATOM 294 CB LEU B 136 -1.047 -1.753 -1.886 1.00 1.14 C ATOM 295 CG LEU B 136 -0.659 -1.127 -0.533 1.00 52.41 C ATOM 296 CD1 LEU B 136 0.853 -0.970 -0.415 1.00 41.23 C ATOM 297 CD2 LEU B 136 -1.351 0.215 -0.327 1.00 34.05 C ATOM 0 H LEU B 136 -2.750 -0.750 -3.255 1.00 21.22 H new ATOM 0 HA LEU B 136 0.049 -0.215 -2.927 1.00 44.41 H new ATOM 0 HB2 LEU B 136 -2.126 -1.911 -1.886 1.00 1.14 H new ATOM 0 HB3 LEU B 136 -0.581 -2.736 -1.947 1.00 1.14 H new ATOM 0 HG LEU B 136 -0.995 -1.806 0.250 1.00 52.41 H new ATOM 0 HD11 LEU B 136 1.098 -0.526 0.550 1.00 41.23 H new ATOM 0 HD12 LEU B 136 1.328 -1.948 -0.496 1.00 41.23 H new ATOM 0 HD13 LEU B 136 1.215 -0.324 -1.215 1.00 41.23 H new ATOM 0 HD21 LEU B 136 -1.057 0.632 0.636 1.00 34.05 H new ATOM 0 HD22 LEU B 136 -1.060 0.900 -1.123 1.00 34.05 H new ATOM 0 HD23 LEU B 136 -2.432 0.074 -0.347 1.00 34.05 H new ATOM 309 N SER B 137 -0.824 -2.244 -5.158 1.00 11.45 N ATOM 310 CA SER B 137 -0.369 -3.134 -6.176 1.00 2.00 C ATOM 311 C SER B 137 -0.266 -2.341 -7.488 1.00 23.45 C ATOM 312 O SER B 137 -0.326 -2.903 -8.578 1.00 1.12 O ATOM 313 CB SER B 137 -1.343 -4.313 -6.310 1.00 70.13 C ATOM 314 OG SER B 137 -0.840 -5.344 -7.161 1.00 44.15 O ATOM 0 H SER B 137 -1.771 -1.890 -5.298 1.00 11.45 H new ATOM 0 HA SER B 137 0.609 -3.544 -5.925 1.00 2.00 H new ATOM 0 HB2 SER B 137 -1.545 -4.728 -5.322 1.00 70.13 H new ATOM 0 HB3 SER B 137 -2.293 -3.952 -6.704 1.00 70.13 H new ATOM 0 HG SER B 137 -0.497 -4.947 -7.989 1.00 44.15 H new ATOM 320 N SER B 138 -0.109 -1.033 -7.334 1.00 30.13 N ATOM 321 CA SER B 138 -0.124 -0.045 -8.389 1.00 70.24 C ATOM 322 C SER B 138 0.707 -0.394 -9.643 1.00 64.22 C ATOM 323 O SER B 138 1.774 -1.017 -9.555 1.00 31.04 O ATOM 324 CB SER B 138 0.409 1.228 -7.791 1.00 65.30 C ATOM 325 OG SER B 138 1.639 0.975 -7.135 1.00 2.10 O ATOM 0 H SER B 138 0.040 -0.616 -6.415 1.00 30.13 H new ATOM 0 HA SER B 138 -1.151 0.027 -8.748 1.00 70.24 H new ATOM 0 HB2 SER B 138 0.550 1.975 -8.572 1.00 65.30 H new ATOM 0 HB3 SER B 138 -0.312 1.638 -7.084 1.00 65.30 H new ATOM 0 HG SER B 138 2.249 1.728 -7.282 1.00 2.10 H new ATOM 331 N PRO B 139 0.230 0.071 -10.820 1.00 3.54 N ATOM 332 CA PRO B 139 0.934 -0.084 -12.116 1.00 24.41 C ATOM 333 C PRO B 139 2.082 0.928 -12.174 1.00 3.55 C ATOM 334 O PRO B 139 3.123 0.729 -12.795 1.00 33.11 O ATOM 335 CB PRO B 139 -0.127 0.439 -13.116 1.00 51.14 C ATOM 336 CG PRO B 139 -0.849 1.445 -12.292 1.00 12.24 C ATOM 337 CD PRO B 139 -1.059 0.779 -10.998 1.00 64.24 C ATOM 0 HA PRO B 139 1.309 -1.093 -12.290 1.00 24.41 H new ATOM 0 HB2 PRO B 139 0.329 0.885 -14.000 1.00 51.14 H new ATOM 0 HB3 PRO B 139 -0.788 -0.355 -13.464 1.00 51.14 H new ATOM 0 HG2 PRO B 139 -0.265 2.358 -12.178 1.00 12.24 H new ATOM 0 HG3 PRO B 139 -1.796 1.728 -12.751 1.00 12.24 H new ATOM 0 HD2 PRO B 139 -1.250 1.492 -10.196 1.00 64.24 H new ATOM 0 HD3 PRO B 139 -1.905 0.092 -11.022 1.00 64.24 H new ATOM 345 N ASN B 140 1.837 1.995 -11.464 1.00 23.02 N ATOM 346 CA ASN B 140 2.556 3.180 -11.497 1.00 20.23 C ATOM 347 C ASN B 140 2.907 3.495 -10.088 1.00 43.12 C ATOM 348 O ASN B 140 2.012 3.549 -9.244 1.00 34.53 O ATOM 349 CB ASN B 140 1.609 4.318 -11.996 1.00 62.14 C ATOM 350 CG ASN B 140 2.294 5.602 -12.363 1.00 24.03 C ATOM 351 OD1 ASN B 140 1.712 6.663 -12.267 1.00 54.34 O ATOM 352 ND2 ASN B 140 3.513 5.523 -12.818 1.00 42.30 N ATOM 0 H ASN B 140 1.061 2.032 -10.803 1.00 23.02 H new ATOM 0 HA ASN B 140 3.432 3.096 -12.140 1.00 20.23 H new ATOM 0 HB2 ASN B 140 1.059 3.957 -12.865 1.00 62.14 H new ATOM 0 HB3 ASN B 140 0.875 4.526 -11.218 1.00 62.14 H new ATOM 0 HD21 ASN B 140 4.006 6.368 -13.106 1.00 42.30 H new ATOM 0 HD22 ASN B 140 3.974 4.616 -12.886 1.00 42.30 H new ATOM 359 N GLU B 141 4.161 3.708 -9.821 1.00 73.15 N ATOM 360 CA GLU B 141 4.602 4.080 -8.487 1.00 45.35 C ATOM 361 C GLU B 141 3.950 5.418 -8.129 1.00 73.44 C ATOM 362 O GLU B 141 3.508 5.651 -7.004 1.00 64.43 O ATOM 363 CB GLU B 141 6.120 4.229 -8.470 1.00 72.42 C ATOM 364 CG GLU B 141 6.891 3.003 -8.953 1.00 31.50 C ATOM 365 CD GLU B 141 8.395 3.205 -8.923 1.00 2.21 C ATOM 366 OE1 GLU B 141 8.932 4.001 -9.748 1.00 2.24 O1- ATOM 367 OE2 GLU B 141 9.072 2.595 -8.078 1.00 72.31 O ATOM 0 H GLU B 141 4.911 3.633 -10.508 1.00 73.15 H new ATOM 0 HA GLU B 141 4.317 3.313 -7.766 1.00 45.35 H new ATOM 0 HB2 GLU B 141 6.394 5.081 -9.092 1.00 72.42 H new ATOM 0 HB3 GLU B 141 6.436 4.462 -7.453 1.00 72.42 H new ATOM 0 HG2 GLU B 141 6.631 2.147 -8.330 1.00 31.50 H new ATOM 0 HG3 GLU B 141 6.581 2.762 -9.970 1.00 31.50 H new ATOM 374 N GLN B 142 3.852 6.256 -9.141 1.00 51.13 N ATOM 375 CA GLN B 142 3.246 7.567 -9.049 1.00 31.54 C ATOM 376 C GLN B 142 1.788 7.512 -8.582 1.00 51.24 C ATOM 377 O GLN B 142 1.431 8.172 -7.611 1.00 5.41 O ATOM 378 CB GLN B 142 3.290 8.235 -10.406 1.00 3.13 C ATOM 379 CG GLN B 142 4.689 8.604 -10.917 1.00 43.42 C ATOM 380 CD GLN B 142 5.480 9.458 -9.933 1.00 72.43 C ATOM 381 OE1 GLN B 142 5.389 10.682 -9.929 1.00 44.11 O ATOM 382 NE2 GLN B 142 6.294 8.832 -9.133 1.00 63.34 N ATOM 0 H GLN B 142 4.201 6.037 -10.074 1.00 51.13 H new ATOM 0 HA GLN B 142 3.814 8.131 -8.310 1.00 31.54 H new ATOM 0 HB2 GLN B 142 2.820 7.572 -11.133 1.00 3.13 H new ATOM 0 HB3 GLN B 142 2.687 9.142 -10.365 1.00 3.13 H new ATOM 0 HG2 GLN B 142 5.246 7.690 -11.125 1.00 43.42 H new ATOM 0 HG3 GLN B 142 4.594 9.141 -11.861 1.00 43.42 H new ATOM 0 HE21 GLN B 142 6.350 7.814 -9.157 1.00 63.34 H new ATOM 0 HE22 GLN B 142 6.876 9.360 -8.482 1.00 63.34 H new ATOM 391 N ILE B 143 0.955 6.710 -9.269 1.00 34.31 N ATOM 392 CA ILE B 143 -0.487 6.655 -8.973 1.00 21.53 C ATOM 393 C ILE B 143 -0.735 6.176 -7.538 1.00 1.45 C ATOM 394 O ILE B 143 -1.749 6.531 -6.917 1.00 53.35 O ATOM 395 CB ILE B 143 -1.295 5.788 -10.018 1.00 14.02 C ATOM 396 CG1 ILE B 143 -1.009 4.303 -9.917 1.00 73.10 C ATOM 397 CG2 ILE B 143 -1.175 6.297 -11.424 1.00 44.30 C ATOM 398 CD1 ILE B 143 -1.979 3.578 -9.009 1.00 51.44 C ATOM 0 H ILE B 143 1.253 6.096 -10.027 1.00 34.31 H new ATOM 0 HA ILE B 143 -0.865 7.673 -9.064 1.00 21.53 H new ATOM 0 HB ILE B 143 -2.341 5.911 -9.737 1.00 14.02 H new ATOM 0 HG12 ILE B 143 -1.051 3.861 -10.913 1.00 73.10 H new ATOM 0 HG13 ILE B 143 0.006 4.158 -9.547 1.00 73.10 H new ATOM 0 HG21 ILE B 143 -1.752 5.658 -12.093 1.00 44.30 H new ATOM 0 HG22 ILE B 143 -1.557 7.316 -11.476 1.00 44.30 H new ATOM 0 HG23 ILE B 143 -0.128 6.286 -11.727 1.00 44.30 H new ATOM 0 HD11 ILE B 143 -1.724 2.519 -8.976 1.00 51.44 H new ATOM 0 HD12 ILE B 143 -1.919 3.997 -8.004 1.00 51.44 H new ATOM 0 HD13 ILE B 143 -2.993 3.696 -9.392 1.00 51.44 H new ATOM 410 N LEU B 144 0.203 5.374 -7.026 1.00 55.31 N ATOM 411 CA LEU B 144 0.158 4.892 -5.661 1.00 51.23 C ATOM 412 C LEU B 144 0.304 6.066 -4.715 1.00 35.13 C ATOM 413 O LEU B 144 -0.560 6.305 -3.876 1.00 44.33 O ATOM 414 CB LEU B 144 1.260 3.825 -5.430 1.00 3.21 C ATOM 415 CG LEU B 144 1.481 3.345 -3.980 1.00 52.24 C ATOM 416 CD1 LEU B 144 1.790 1.875 -3.944 1.00 13.41 C ATOM 417 CD2 LEU B 144 2.654 4.074 -3.375 1.00 24.12 C ATOM 0 H LEU B 144 1.011 5.046 -7.554 1.00 55.31 H new ATOM 0 HA LEU B 144 -0.801 4.411 -5.468 1.00 51.23 H new ATOM 0 HB2 LEU B 144 1.022 2.955 -6.042 1.00 3.21 H new ATOM 0 HB3 LEU B 144 2.203 4.227 -5.801 1.00 3.21 H new ATOM 0 HG LEU B 144 0.567 3.545 -3.421 1.00 52.24 H new ATOM 0 HD11 LEU B 144 1.942 1.560 -2.912 1.00 13.41 H new ATOM 0 HD12 LEU B 144 0.958 1.318 -4.375 1.00 13.41 H new ATOM 0 HD13 LEU B 144 2.695 1.679 -4.520 1.00 13.41 H new ATOM 0 HD21 LEU B 144 2.806 3.732 -2.351 1.00 24.12 H new ATOM 0 HD22 LEU B 144 3.550 3.872 -3.962 1.00 24.12 H new ATOM 0 HD23 LEU B 144 2.455 5.146 -3.374 1.00 24.12 H new ATOM 429 N GLN B 145 1.378 6.822 -4.901 1.00 62.02 N ATOM 430 CA GLN B 145 1.673 8.008 -4.110 1.00 14.14 C ATOM 431 C GLN B 145 0.529 8.989 -4.147 1.00 53.32 C ATOM 432 O GLN B 145 0.168 9.580 -3.116 1.00 13.44 O ATOM 433 CB GLN B 145 2.906 8.674 -4.655 1.00 31.14 C ATOM 434 CG GLN B 145 4.124 7.816 -4.557 1.00 35.44 C ATOM 435 CD GLN B 145 5.325 8.458 -5.179 1.00 5.04 C ATOM 436 OE1 GLN B 145 5.582 8.293 -6.359 1.00 4.41 O ATOM 437 NE2 GLN B 145 6.054 9.213 -4.413 1.00 60.40 N ATOM 0 H GLN B 145 2.078 6.625 -5.616 1.00 62.02 H new ATOM 0 HA GLN B 145 1.830 7.698 -3.077 1.00 14.14 H new ATOM 0 HB2 GLN B 145 2.738 8.939 -5.699 1.00 31.14 H new ATOM 0 HB3 GLN B 145 3.079 9.604 -4.114 1.00 31.14 H new ATOM 0 HG2 GLN B 145 4.331 7.603 -3.508 1.00 35.44 H new ATOM 0 HG3 GLN B 145 3.932 6.860 -5.045 1.00 35.44 H new ATOM 0 HE21 GLN B 145 5.810 9.329 -3.429 1.00 60.40 H new ATOM 0 HE22 GLN B 145 6.871 9.690 -4.795 1.00 60.40 H new ATOM 446 N GLU B 146 -0.026 9.161 -5.327 1.00 55.14 N ATOM 447 CA GLU B 146 -1.161 10.040 -5.530 1.00 32.43 C ATOM 448 C GLU B 146 -2.342 9.599 -4.680 1.00 61.02 C ATOM 449 O GLU B 146 -2.846 10.357 -3.859 1.00 62.21 O ATOM 450 CB GLU B 146 -1.605 10.057 -6.986 1.00 61.15 C ATOM 451 CG GLU B 146 -0.570 10.503 -7.983 1.00 73.43 C ATOM 452 CD GLU B 146 -1.181 10.715 -9.338 1.00 74.32 C ATOM 453 OE1 GLU B 146 -1.456 9.727 -10.055 1.00 22.34 O1- ATOM 454 OE2 GLU B 146 -1.434 11.880 -9.696 1.00 3.34 O ATOM 0 H GLU B 146 0.296 8.695 -6.175 1.00 55.14 H new ATOM 0 HA GLU B 146 -0.838 11.040 -5.239 1.00 32.43 H new ATOM 0 HB2 GLU B 146 -1.934 9.054 -7.257 1.00 61.15 H new ATOM 0 HB3 GLU B 146 -2.472 10.712 -7.074 1.00 61.15 H new ATOM 0 HG2 GLU B 146 -0.106 11.428 -7.641 1.00 73.43 H new ATOM 0 HG3 GLU B 146 0.221 9.756 -8.050 1.00 73.43 H new ATOM 461 N ALA B 147 -2.761 8.361 -4.858 1.00 15.44 N ATOM 462 CA ALA B 147 -3.930 7.852 -4.160 1.00 72.45 C ATOM 463 C ALA B 147 -3.711 7.788 -2.661 1.00 11.52 C ATOM 464 O ALA B 147 -4.625 8.085 -1.896 1.00 71.22 O ATOM 465 CB ALA B 147 -4.365 6.512 -4.715 1.00 4.23 C ATOM 0 H ALA B 147 -2.311 7.688 -5.479 1.00 15.44 H new ATOM 0 HA ALA B 147 -4.741 8.559 -4.334 1.00 72.45 H new ATOM 0 HB1 ALA B 147 -5.241 6.160 -4.171 1.00 4.23 H new ATOM 0 HB2 ALA B 147 -4.612 6.619 -5.771 1.00 4.23 H new ATOM 0 HB3 ALA B 147 -3.555 5.791 -4.603 1.00 4.23 H new ATOM 471 N LEU B 148 -2.486 7.479 -2.245 1.00 50.13 N ATOM 472 CA LEU B 148 -2.137 7.378 -0.836 1.00 10.21 C ATOM 473 C LEU B 148 -2.494 8.624 -0.070 1.00 72.25 C ATOM 474 O LEU B 148 -2.887 8.543 1.050 1.00 11.01 O ATOM 475 CB LEU B 148 -0.652 7.129 -0.639 1.00 24.22 C ATOM 476 CG LEU B 148 -0.109 5.731 -0.876 1.00 12.12 C ATOM 477 CD1 LEU B 148 1.389 5.745 -0.697 1.00 75.04 C ATOM 478 CD2 LEU B 148 -0.727 4.734 0.088 1.00 53.12 C ATOM 0 H LEU B 148 -1.708 7.292 -2.878 1.00 50.13 H new ATOM 0 HA LEU B 148 -2.713 6.534 -0.456 1.00 10.21 H new ATOM 0 HB2 LEU B 148 -0.113 7.809 -1.298 1.00 24.22 H new ATOM 0 HB3 LEU B 148 -0.402 7.411 0.384 1.00 24.22 H new ATOM 0 HG LEU B 148 -0.364 5.426 -1.891 1.00 12.12 H new ATOM 0 HD11 LEU B 148 1.785 4.744 -0.866 1.00 75.04 H new ATOM 0 HD12 LEU B 148 1.834 6.437 -1.412 1.00 75.04 H new ATOM 0 HD13 LEU B 148 1.631 6.065 0.316 1.00 75.04 H new ATOM 0 HD21 LEU B 148 -0.320 3.741 -0.105 1.00 53.12 H new ATOM 0 HD22 LEU B 148 -0.497 5.028 1.112 1.00 53.12 H new ATOM 0 HD23 LEU B 148 -1.808 4.716 -0.051 1.00 53.12 H new ATOM 490 N TRP B 149 -2.380 9.755 -0.708 1.00 72.11 N ATOM 491 CA TRP B 149 -2.634 11.043 -0.074 1.00 73.33 C ATOM 492 C TRP B 149 -4.028 11.062 0.572 1.00 33.51 C ATOM 493 O TRP B 149 -4.203 11.508 1.712 1.00 12.44 O ATOM 494 CB TRP B 149 -2.538 12.139 -1.117 1.00 5.20 C ATOM 495 CG TRP B 149 -2.307 13.501 -0.541 1.00 21.45 C ATOM 496 CD1 TRP B 149 -1.115 14.019 -0.157 1.00 14.14 C ATOM 497 CD2 TRP B 149 -3.283 14.520 -0.289 1.00 64.10 C ATOM 498 NE1 TRP B 149 -1.279 15.281 0.323 1.00 44.31 N ATOM 499 CE2 TRP B 149 -2.596 15.620 0.256 1.00 41.22 C ATOM 500 CE3 TRP B 149 -4.663 14.611 -0.463 1.00 50.34 C ATOM 501 CZ2 TRP B 149 -3.237 16.795 0.622 1.00 11.41 C ATOM 502 CZ3 TRP B 149 -5.299 15.780 -0.097 1.00 0.00 C ATOM 503 CH2 TRP B 149 -4.586 16.856 0.440 1.00 21.30 C ATOM 0 H TRP B 149 -2.107 9.823 -1.689 1.00 72.11 H new ATOM 0 HA TRP B 149 -1.890 11.207 0.706 1.00 73.33 H new ATOM 0 HB2 TRP B 149 -1.726 11.903 -1.805 1.00 5.20 H new ATOM 0 HB3 TRP B 149 -3.458 12.153 -1.702 1.00 5.20 H new ATOM 0 HD1 TRP B 149 -0.169 13.503 -0.223 1.00 14.14 H new ATOM 0 HE1 TRP B 149 -0.533 15.879 0.677 1.00 44.31 H new ATOM 0 HE3 TRP B 149 -5.223 13.784 -0.875 1.00 50.34 H new ATOM 0 HZ2 TRP B 149 -2.688 17.628 1.035 1.00 11.41 H new ATOM 0 HZ3 TRP B 149 -6.368 15.865 -0.228 1.00 0.00 H new ATOM 0 HH2 TRP B 149 -5.116 17.755 0.717 1.00 21.30 H new ATOM 514 N ALA B 150 -4.997 10.576 -0.153 1.00 4.41 N ATOM 515 CA ALA B 150 -6.339 10.493 0.347 1.00 55.10 C ATOM 516 C ALA B 150 -6.550 9.186 1.125 1.00 74.03 C ATOM 517 O ALA B 150 -7.113 9.176 2.226 1.00 33.30 O ATOM 518 CB ALA B 150 -7.332 10.608 -0.795 1.00 15.21 C ATOM 0 H ALA B 150 -4.878 10.228 -1.104 1.00 4.41 H new ATOM 0 HA ALA B 150 -6.505 11.323 1.034 1.00 55.10 H new ATOM 0 HB1 ALA B 150 -8.347 10.544 -0.403 1.00 15.21 H new ATOM 0 HB2 ALA B 150 -7.198 11.565 -1.299 1.00 15.21 H new ATOM 0 HB3 ALA B 150 -7.165 9.798 -1.505 1.00 15.21 H new ATOM 524 N LEU B 151 -6.042 8.104 0.561 1.00 70.43 N ATOM 525 CA LEU B 151 -6.246 6.735 1.071 1.00 60.43 C ATOM 526 C LEU B 151 -5.501 6.418 2.358 1.00 0.01 C ATOM 527 O LEU B 151 -5.864 5.497 3.067 1.00 1.42 O ATOM 528 CB LEU B 151 -5.884 5.704 0.006 1.00 30.21 C ATOM 529 CG LEU B 151 -6.931 5.384 -1.074 1.00 35.52 C ATOM 530 CD1 LEU B 151 -8.127 4.661 -0.474 1.00 33.34 C ATOM 531 CD2 LEU B 151 -7.392 6.623 -1.837 1.00 54.11 C ATOM 0 H LEU B 151 -5.465 8.139 -0.279 1.00 70.43 H new ATOM 0 HA LEU B 151 -7.307 6.681 1.313 1.00 60.43 H new ATOM 0 HB2 LEU B 151 -4.980 6.047 -0.497 1.00 30.21 H new ATOM 0 HB3 LEU B 151 -5.633 4.773 0.514 1.00 30.21 H new ATOM 0 HG LEU B 151 -6.440 4.728 -1.793 1.00 35.52 H new ATOM 0 HD11 LEU B 151 -8.853 4.446 -1.258 1.00 33.34 H new ATOM 0 HD12 LEU B 151 -7.797 3.727 -0.019 1.00 33.34 H new ATOM 0 HD13 LEU B 151 -8.589 5.291 0.286 1.00 33.34 H new ATOM 0 HD21 LEU B 151 -8.130 6.336 -2.586 1.00 54.11 H new ATOM 0 HD22 LEU B 151 -7.838 7.334 -1.141 1.00 54.11 H new ATOM 0 HD23 LEU B 151 -6.537 7.086 -2.330 1.00 54.11 H new ATOM 543 N SER B 152 -4.487 7.171 2.665 1.00 60.31 N ATOM 544 CA SER B 152 -3.697 6.960 3.855 1.00 74.51 C ATOM 545 C SER B 152 -4.548 7.143 5.132 1.00 11.20 C ATOM 546 O SER B 152 -4.181 6.674 6.216 1.00 33.33 O ATOM 547 CB SER B 152 -2.409 7.791 3.824 1.00 21.44 C ATOM 548 OG SER B 152 -1.525 7.411 4.871 1.00 22.11 O ATOM 0 H SER B 152 -4.177 7.958 2.095 1.00 60.31 H new ATOM 0 HA SER B 152 -3.365 5.922 3.878 1.00 74.51 H new ATOM 0 HB2 SER B 152 -1.913 7.662 2.862 1.00 21.44 H new ATOM 0 HB3 SER B 152 -2.654 8.849 3.917 1.00 21.44 H new ATOM 0 HG SER B 152 -1.321 6.455 4.796 1.00 22.11 H new ATOM 554 N ASN B 153 -5.690 7.845 4.981 1.00 64.24 N ATOM 555 CA ASN B 153 -6.723 7.977 6.035 1.00 44.31 C ATOM 556 C ASN B 153 -7.040 6.607 6.639 1.00 64.55 C ATOM 557 O ASN B 153 -7.234 6.466 7.842 1.00 64.23 O ATOM 558 CB ASN B 153 -8.009 8.542 5.411 1.00 63.41 C ATOM 559 CG ASN B 153 -9.202 8.564 6.370 1.00 23.31 C ATOM 560 OD1 ASN B 153 -9.977 7.599 6.442 1.00 40.43 O ATOM 561 ND2 ASN B 153 -9.372 9.637 7.087 1.00 50.30 N ATOM 0 H ASN B 153 -5.925 8.340 4.121 1.00 64.24 H new ATOM 0 HA ASN B 153 -6.349 8.642 6.814 1.00 44.31 H new ATOM 0 HB2 ASN B 153 -7.817 9.556 5.061 1.00 63.41 H new ATOM 0 HB3 ASN B 153 -8.269 7.947 4.536 1.00 63.41 H new ATOM 0 HD21 ASN B 153 -10.161 9.700 7.731 1.00 50.30 H new ATOM 0 HD22 ASN B 153 -8.717 10.414 7.005 1.00 50.30 H new ATOM 568 N ILE B 154 -7.038 5.601 5.785 1.00 75.13 N ATOM 569 CA ILE B 154 -7.310 4.205 6.154 1.00 55.41 C ATOM 570 C ILE B 154 -6.291 3.686 7.238 1.00 43.23 C ATOM 571 O ILE B 154 -6.562 2.744 7.947 1.00 31.12 O ATOM 572 CB ILE B 154 -7.290 3.282 4.871 1.00 3.11 C ATOM 573 CG1 ILE B 154 -8.293 3.790 3.805 1.00 50.30 C ATOM 574 CG2 ILE B 154 -7.606 1.822 5.200 1.00 43.33 C ATOM 575 CD1 ILE B 154 -9.751 3.718 4.215 1.00 21.43 C ATOM 0 H ILE B 154 -6.844 5.723 4.791 1.00 75.13 H new ATOM 0 HA ILE B 154 -8.305 4.162 6.596 1.00 55.41 H new ATOM 0 HB ILE B 154 -6.276 3.332 4.475 1.00 3.11 H new ATOM 0 HG12 ILE B 154 -8.050 4.824 3.562 1.00 50.30 H new ATOM 0 HG13 ILE B 154 -8.158 3.208 2.893 1.00 50.30 H new ATOM 0 HG21 ILE B 154 -7.580 1.229 4.286 1.00 43.33 H new ATOM 0 HG22 ILE B 154 -6.866 1.439 5.902 1.00 43.33 H new ATOM 0 HG23 ILE B 154 -8.598 1.756 5.647 1.00 43.33 H new ATOM 0 HD11 ILE B 154 -10.376 4.095 3.405 1.00 21.43 H new ATOM 0 HD12 ILE B 154 -10.018 2.683 4.428 1.00 21.43 H new ATOM 0 HD13 ILE B 154 -9.909 4.324 5.107 1.00 21.43 H new ATOM 587 N ALA B 155 -5.121 4.304 7.346 1.00 10.31 N ATOM 588 CA ALA B 155 -4.136 3.898 8.367 1.00 14.12 C ATOM 589 C ALA B 155 -4.445 4.546 9.711 1.00 64.41 C ATOM 590 O ALA B 155 -3.997 4.077 10.755 1.00 71.04 O ATOM 591 CB ALA B 155 -2.721 4.239 7.935 1.00 41.11 C ATOM 0 H ALA B 155 -4.824 5.079 6.753 1.00 10.31 H new ATOM 0 HA ALA B 155 -4.208 2.816 8.477 1.00 14.12 H new ATOM 0 HB1 ALA B 155 -2.019 3.927 8.709 1.00 41.11 H new ATOM 0 HB2 ALA B 155 -2.490 3.720 7.005 1.00 41.11 H new ATOM 0 HB3 ALA B 155 -2.637 5.315 7.781 1.00 41.11 H new ATOM 597 N SER B 156 -5.245 5.590 9.675 1.00 4.52 N ATOM 598 CA SER B 156 -5.602 6.342 10.859 1.00 54.22 C ATOM 599 C SER B 156 -6.758 5.633 11.584 1.00 33.11 C ATOM 600 O SER B 156 -7.121 5.989 12.709 1.00 31.14 O ATOM 601 CB SER B 156 -6.002 7.770 10.434 1.00 51.15 C ATOM 602 OG SER B 156 -6.194 8.649 11.535 1.00 71.21 O ATOM 0 H SER B 156 -5.669 5.943 8.817 1.00 4.52 H new ATOM 0 HA SER B 156 -4.758 6.403 11.546 1.00 54.22 H new ATOM 0 HB2 SER B 156 -5.229 8.178 9.782 1.00 51.15 H new ATOM 0 HB3 SER B 156 -6.921 7.724 9.849 1.00 51.15 H new ATOM 0 HG SER B 156 -6.521 8.141 12.306 1.00 71.21 H new ATOM 608 N GLY B 157 -7.310 4.631 10.931 1.00 64.35 N ATOM 609 CA GLY B 157 -8.380 3.878 11.494 1.00 65.32 C ATOM 610 C GLY B 157 -7.914 2.506 11.877 1.00 30.23 C ATOM 611 O GLY B 157 -7.604 1.678 11.010 1.00 41.22 O ATOM 0 H GLY B 157 -7.022 4.327 10.001 1.00 64.35 H new ATOM 0 HA2 GLY B 157 -8.772 4.393 12.371 1.00 65.32 H new ATOM 0 HA3 GLY B 157 -9.197 3.803 10.776 1.00 65.32 H new ATOM 615 N GLY B 158 -7.812 2.267 13.157 1.00 4.51 N ATOM 616 CA GLY B 158 -7.408 0.975 13.618 1.00 1.13 C ATOM 617 C GLY B 158 -8.562 0.008 13.580 1.00 32.24 C ATOM 618 O GLY B 158 -9.714 0.412 13.363 1.00 23.13 O ATOM 0 H GLY B 158 -8.003 2.948 13.892 1.00 4.51 H new ATOM 0 HA2 GLY B 158 -6.594 0.601 12.997 1.00 1.13 H new ATOM 0 HA3 GLY B 158 -7.025 1.051 14.636 1.00 1.13 H new ATOM 622 N ASN B 159 -8.258 -1.246 13.789 1.00 23.14 N ATOM 623 CA ASN B 159 -9.216 -2.346 13.768 1.00 4.32 C ATOM 624 C ASN B 159 -9.837 -2.570 12.392 1.00 43.12 C ATOM 625 O ASN B 159 -9.330 -3.368 11.636 1.00 73.44 O ATOM 626 CB ASN B 159 -10.282 -2.251 14.885 1.00 41.53 C ATOM 627 CG ASN B 159 -11.246 -3.435 14.885 1.00 73.54 C ATOM 628 OD1 ASN B 159 -12.323 -3.388 14.274 1.00 53.51 O ATOM 629 ND2 ASN B 159 -10.866 -4.498 15.542 1.00 13.35 N ATOM 0 H ASN B 159 -7.305 -1.552 13.987 1.00 23.14 H new ATOM 0 HA ASN B 159 -8.630 -3.238 13.988 1.00 4.32 H new ATOM 0 HB2 ASN B 159 -9.784 -2.194 15.853 1.00 41.53 H new ATOM 0 HB3 ASN B 159 -10.848 -1.327 14.763 1.00 41.53 H new ATOM 0 HD21 ASN B 159 -11.463 -5.325 15.563 1.00 13.35 H new ATOM 0 HD22 ASN B 159 -9.972 -4.501 16.034 1.00 13.35 H new ATOM 636 N GLU B 160 -10.855 -1.802 12.037 1.00 61.13 N ATOM 637 CA GLU B 160 -11.607 -2.050 10.812 1.00 44.33 C ATOM 638 C GLU B 160 -10.756 -1.792 9.562 1.00 21.45 C ATOM 639 O GLU B 160 -10.509 -2.696 8.759 1.00 55.12 O ATOM 640 CB GLU B 160 -12.892 -1.208 10.788 1.00 21.44 C ATOM 641 CG GLU B 160 -13.842 -1.560 9.658 1.00 75.15 C ATOM 642 CD GLU B 160 -14.295 -2.996 9.732 1.00 34.45 C ATOM 643 OE1 GLU B 160 -13.580 -3.881 9.231 1.00 5.33 O ATOM 644 OE2 GLU B 160 -15.357 -3.271 10.305 1.00 51.14 O1- ATOM 0 H GLU B 160 -11.181 -1.001 12.578 1.00 61.13 H new ATOM 0 HA GLU B 160 -11.885 -3.104 10.801 1.00 44.33 H new ATOM 0 HB2 GLU B 160 -13.412 -1.332 11.738 1.00 21.44 H new ATOM 0 HB3 GLU B 160 -12.622 -0.155 10.707 1.00 21.44 H new ATOM 0 HG2 GLU B 160 -14.711 -0.903 9.696 1.00 75.15 H new ATOM 0 HG3 GLU B 160 -13.350 -1.383 8.702 1.00 75.15 H new ATOM 651 N GLN B 161 -10.268 -0.584 9.434 1.00 55.22 N ATOM 652 CA GLN B 161 -9.475 -0.174 8.276 1.00 4.24 C ATOM 653 C GLN B 161 -8.101 -0.847 8.292 1.00 2.21 C ATOM 654 O GLN B 161 -7.427 -0.974 7.266 1.00 4.14 O ATOM 655 CB GLN B 161 -9.280 1.351 8.267 1.00 73.31 C ATOM 656 CG GLN B 161 -10.533 2.208 8.092 1.00 74.15 C ATOM 657 CD GLN B 161 -11.482 2.148 9.268 1.00 63.34 C ATOM 658 OE1 GLN B 161 -11.070 1.942 10.417 1.00 30.32 O ATOM 659 NE2 GLN B 161 -12.738 2.320 9.000 1.00 71.32 N ATOM 0 H GLN B 161 -10.403 0.153 10.126 1.00 55.22 H new ATOM 0 HA GLN B 161 -10.017 -0.479 7.381 1.00 4.24 H new ATOM 0 HB2 GLN B 161 -8.802 1.637 9.204 1.00 73.31 H new ATOM 0 HB3 GLN B 161 -8.585 1.599 7.465 1.00 73.31 H new ATOM 0 HG2 GLN B 161 -10.234 3.244 7.931 1.00 74.15 H new ATOM 0 HG3 GLN B 161 -11.060 1.885 7.194 1.00 74.15 H new ATOM 0 HE21 GLN B 161 -13.036 2.487 8.039 1.00 71.32 H new ATOM 0 HE22 GLN B 161 -13.429 2.288 9.750 1.00 71.32 H new ATOM 668 N LYS B 162 -7.715 -1.278 9.450 1.00 0.01 N ATOM 669 CA LYS B 162 -6.424 -1.859 9.683 1.00 53.04 C ATOM 670 C LYS B 162 -6.397 -3.371 9.361 1.00 54.42 C ATOM 671 O LYS B 162 -5.433 -3.864 8.796 1.00 41.24 O ATOM 672 CB LYS B 162 -6.048 -1.555 11.121 1.00 52.24 C ATOM 673 CG LYS B 162 -4.697 -2.019 11.596 1.00 72.31 C ATOM 674 CD LYS B 162 -4.491 -1.508 13.007 1.00 53.42 C ATOM 675 CE LYS B 162 -3.164 -1.905 13.596 1.00 52.21 C ATOM 676 NZ LYS B 162 -2.012 -1.409 12.815 1.00 22.01 N1+ ATOM 0 H LYS B 162 -8.301 -1.236 10.284 1.00 0.01 H new ATOM 0 HA LYS B 162 -5.684 -1.425 9.010 1.00 53.04 H new ATOM 0 HB2 LYS B 162 -6.102 -0.476 11.263 1.00 52.24 H new ATOM 0 HB3 LYS B 162 -6.804 -2.000 11.768 1.00 52.24 H new ATOM 0 HG2 LYS B 162 -4.639 -3.107 11.573 1.00 72.31 H new ATOM 0 HG3 LYS B 162 -3.913 -1.644 10.938 1.00 72.31 H new ATOM 0 HD2 LYS B 162 -4.570 -0.421 13.008 1.00 53.42 H new ATOM 0 HD3 LYS B 162 -5.291 -1.886 13.643 1.00 53.42 H new ATOM 0 HE2 LYS B 162 -3.096 -1.523 14.615 1.00 52.21 H new ATOM 0 HE3 LYS B 162 -3.112 -2.992 13.659 1.00 52.21 H new ATOM 0 HZ1 LYS B 162 -1.173 -1.359 13.427 1.00 22.01 H new ATOM 0 HZ2 LYS B 162 -1.825 -2.057 12.023 1.00 22.01 H new ATOM 0 HZ3 LYS B 162 -2.226 -0.461 12.444 1.00 22.01 H new ATOM 690 N GLN B 163 -7.472 -4.082 9.684 1.00 45.04 N ATOM 691 CA GLN B 163 -7.552 -5.537 9.433 1.00 54.43 C ATOM 692 C GLN B 163 -7.887 -5.792 7.968 1.00 43.34 C ATOM 693 O GLN B 163 -7.607 -6.857 7.404 1.00 51.54 O ATOM 694 CB GLN B 163 -8.644 -6.151 10.290 1.00 0.44 C ATOM 695 CG GLN B 163 -10.044 -5.805 9.827 1.00 12.45 C ATOM 696 CD GLN B 163 -11.099 -6.294 10.796 1.00 32.52 C ATOM 697 OE1 GLN B 163 -10.897 -7.295 11.489 1.00 71.21 O ATOM 698 NE2 GLN B 163 -12.232 -5.655 10.827 1.00 35.45 N ATOM 0 H GLN B 163 -8.305 -3.685 10.120 1.00 45.04 H new ATOM 0 HA GLN B 163 -6.590 -5.985 9.680 1.00 54.43 H new ATOM 0 HB2 GLN B 163 -8.528 -7.235 10.290 1.00 0.44 H new ATOM 0 HB3 GLN B 163 -8.518 -5.816 11.320 1.00 0.44 H new ATOM 0 HG2 GLN B 163 -10.131 -4.725 9.711 1.00 12.45 H new ATOM 0 HG3 GLN B 163 -10.221 -6.246 8.846 1.00 12.45 H new ATOM 0 HE21 GLN B 163 -12.369 -4.831 10.242 1.00 35.45 H new ATOM 0 HE22 GLN B 163 -12.983 -5.979 11.436 1.00 35.45 H new ATOM 707 N ALA B 164 -8.470 -4.781 7.382 1.00 52.32 N ATOM 708 CA ALA B 164 -8.963 -4.749 6.024 1.00 30.11 C ATOM 709 C ALA B 164 -7.954 -5.228 5.030 1.00 13.35 C ATOM 710 O ALA B 164 -8.263 -5.939 4.077 1.00 74.41 O ATOM 711 CB ALA B 164 -9.210 -3.332 5.708 1.00 12.31 C ATOM 0 H ALA B 164 -8.625 -3.898 7.869 1.00 52.32 H new ATOM 0 HA ALA B 164 -9.842 -5.391 5.961 1.00 30.11 H new ATOM 0 HB1 ALA B 164 -9.586 -3.247 4.688 1.00 12.31 H new ATOM 0 HB2 ALA B 164 -9.947 -2.928 6.402 1.00 12.31 H new ATOM 0 HB3 ALA B 164 -8.280 -2.771 5.800 1.00 12.31 H new ATOM 717 N VAL B 165 -6.765 -4.836 5.287 1.00 3.02 N ATOM 718 CA VAL B 165 -5.657 -4.994 4.408 1.00 13.21 C ATOM 719 C VAL B 165 -5.239 -6.467 4.300 1.00 2.43 C ATOM 720 O VAL B 165 -4.823 -6.925 3.243 1.00 61.00 O ATOM 721 CB VAL B 165 -4.496 -4.098 4.917 1.00 33.10 C ATOM 722 CG1 VAL B 165 -5.045 -2.749 5.254 1.00 41.13 C ATOM 723 CG2 VAL B 165 -3.937 -4.621 6.164 1.00 41.10 C ATOM 0 H VAL B 165 -6.519 -4.371 6.161 1.00 3.02 H new ATOM 0 HA VAL B 165 -5.935 -4.682 3.401 1.00 13.21 H new ATOM 0 HB VAL B 165 -3.734 -4.065 4.138 1.00 33.10 H new ATOM 0 HG11 VAL B 165 -4.240 -2.108 5.613 1.00 41.13 H new ATOM 0 HG12 VAL B 165 -5.492 -2.306 4.364 1.00 41.13 H new ATOM 0 HG13 VAL B 165 -5.804 -2.848 6.030 1.00 41.13 H new ATOM 0 HG21 VAL B 165 -3.126 -3.975 6.498 1.00 41.10 H new ATOM 0 HG22 VAL B 165 -4.715 -4.651 6.927 1.00 41.10 H new ATOM 0 HG23 VAL B 165 -3.554 -5.628 5.997 1.00 41.10 H new ATOM 733 N LYS B 166 -5.423 -7.217 5.376 1.00 72.33 N ATOM 734 CA LYS B 166 -5.047 -8.610 5.388 1.00 62.53 C ATOM 735 C LYS B 166 -6.067 -9.358 4.566 1.00 61.12 C ATOM 736 O LYS B 166 -5.727 -10.155 3.700 1.00 13.14 O ATOM 737 CB LYS B 166 -5.024 -9.205 6.815 1.00 64.02 C ATOM 738 CG LYS B 166 -4.103 -8.545 7.860 1.00 21.20 C ATOM 739 CD LYS B 166 -4.635 -7.206 8.365 1.00 51.32 C ATOM 740 CE LYS B 166 -4.126 -6.900 9.767 1.00 50.03 C ATOM 741 NZ LYS B 166 -4.615 -7.889 10.759 1.00 65.44 N1+ ATOM 0 H LYS B 166 -5.830 -6.879 6.248 1.00 72.33 H new ATOM 0 HA LYS B 166 -4.039 -8.703 4.984 1.00 62.53 H new ATOM 0 HB2 LYS B 166 -6.042 -9.179 7.204 1.00 64.02 H new ATOM 0 HB3 LYS B 166 -4.740 -10.254 6.735 1.00 64.02 H new ATOM 0 HG2 LYS B 166 -3.978 -9.222 8.705 1.00 21.20 H new ATOM 0 HG3 LYS B 166 -3.116 -8.396 7.423 1.00 21.20 H new ATOM 0 HD2 LYS B 166 -4.330 -6.411 7.684 1.00 51.32 H new ATOM 0 HD3 LYS B 166 -5.725 -7.223 8.367 1.00 51.32 H new ATOM 0 HE2 LYS B 166 -3.036 -6.896 9.765 1.00 50.03 H new ATOM 0 HE3 LYS B 166 -4.448 -5.901 10.061 1.00 50.03 H new ATOM 0 HZ1 LYS B 166 -5.144 -7.397 11.508 1.00 65.44 H new ATOM 0 HZ2 LYS B 166 -5.239 -8.574 10.287 1.00 65.44 H new ATOM 0 HZ3 LYS B 166 -3.805 -8.389 11.179 1.00 65.44 H new ATOM 755 N GLU B 167 -7.322 -9.018 4.822 1.00 75.44 N ATOM 756 CA GLU B 167 -8.465 -9.587 4.180 1.00 33.13 C ATOM 757 C GLU B 167 -8.458 -9.301 2.666 1.00 4.33 C ATOM 758 O GLU B 167 -8.761 -10.164 1.859 1.00 61.22 O ATOM 759 CB GLU B 167 -9.670 -8.968 4.836 1.00 35.41 C ATOM 760 CG GLU B 167 -10.785 -9.935 5.060 1.00 14.32 C ATOM 761 CD GLU B 167 -11.476 -10.386 3.805 1.00 71.10 C ATOM 762 OE1 GLU B 167 -12.331 -9.655 3.304 1.00 51.30 O1- ATOM 763 OE2 GLU B 167 -11.203 -11.493 3.316 1.00 34.35 O ATOM 0 H GLU B 167 -7.566 -8.308 5.513 1.00 75.44 H new ATOM 0 HA GLU B 167 -8.469 -10.672 4.286 1.00 33.13 H new ATOM 0 HB2 GLU B 167 -9.373 -8.539 5.793 1.00 35.41 H new ATOM 0 HB3 GLU B 167 -10.030 -8.147 4.216 1.00 35.41 H new ATOM 0 HG2 GLU B 167 -10.393 -10.810 5.579 1.00 14.32 H new ATOM 0 HG3 GLU B 167 -11.521 -9.476 5.721 1.00 14.32 H new ATOM 770 N ALA B 168 -8.087 -8.084 2.297 1.00 51.34 N ATOM 771 CA ALA B 168 -8.041 -7.685 0.888 1.00 12.43 C ATOM 772 C ALA B 168 -6.844 -8.306 0.167 1.00 34.44 C ATOM 773 O ALA B 168 -6.757 -8.298 -1.068 1.00 25.22 O ATOM 774 CB ALA B 168 -8.034 -6.177 0.770 1.00 40.11 C ATOM 0 H ALA B 168 -7.812 -7.351 2.951 1.00 51.34 H new ATOM 0 HA ALA B 168 -8.939 -8.063 0.399 1.00 12.43 H new ATOM 0 HB1 ALA B 168 -8.000 -5.895 -0.282 1.00 40.11 H new ATOM 0 HB2 ALA B 168 -8.938 -5.772 1.225 1.00 40.11 H new ATOM 0 HB3 ALA B 168 -7.159 -5.776 1.282 1.00 40.11 H new ATOM 780 N GLY B 169 -5.932 -8.809 0.937 1.00 34.33 N ATOM 781 CA GLY B 169 -4.810 -9.503 0.404 1.00 34.02 C ATOM 782 C GLY B 169 -3.699 -8.563 0.104 1.00 4.54 C ATOM 783 O GLY B 169 -3.371 -8.329 -1.050 1.00 31.44 O ATOM 0 H GLY B 169 -5.947 -8.748 1.955 1.00 34.33 H new ATOM 0 HA2 GLY B 169 -4.472 -10.257 1.115 1.00 34.02 H new ATOM 0 HA3 GLY B 169 -5.101 -10.030 -0.505 1.00 34.02 H new ATOM 787 N ALA B 170 -3.135 -7.997 1.132 1.00 35.41 N ATOM 788 CA ALA B 170 -2.089 -7.028 0.967 1.00 34.41 C ATOM 789 C ALA B 170 -0.731 -7.650 0.768 1.00 73.04 C ATOM 790 O ALA B 170 0.110 -7.024 0.181 1.00 1.24 O ATOM 791 CB ALA B 170 -2.059 -6.048 2.126 1.00 13.24 C ATOM 0 H ALA B 170 -3.384 -8.192 2.102 1.00 35.41 H new ATOM 0 HA ALA B 170 -2.325 -6.485 0.052 1.00 34.41 H new ATOM 0 HB1 ALA B 170 -1.256 -5.327 1.972 1.00 13.24 H new ATOM 0 HB2 ALA B 170 -3.012 -5.523 2.183 1.00 13.24 H new ATOM 0 HB3 ALA B 170 -1.887 -6.590 3.056 1.00 13.24 H new ATOM 797 N LEU B 171 -0.531 -8.890 1.214 1.00 61.22 N ATOM 798 CA LEU B 171 0.801 -9.518 1.139 1.00 71.22 C ATOM 799 C LEU B 171 1.268 -9.614 -0.305 1.00 54.15 C ATOM 800 O LEU B 171 2.319 -9.084 -0.662 1.00 23.24 O ATOM 801 CB LEU B 171 0.809 -10.904 1.789 1.00 35.44 C ATOM 802 CG LEU B 171 0.372 -10.965 3.254 1.00 71.12 C ATOM 803 CD1 LEU B 171 0.444 -12.386 3.756 1.00 70.51 C ATOM 804 CD2 LEU B 171 1.230 -10.053 4.120 1.00 11.20 C ATOM 0 H LEU B 171 -1.257 -9.477 1.626 1.00 61.22 H new ATOM 0 HA LEU B 171 1.492 -8.883 1.694 1.00 71.22 H new ATOM 0 HB2 LEU B 171 0.157 -11.558 1.210 1.00 35.44 H new ATOM 0 HB3 LEU B 171 1.817 -11.311 1.715 1.00 35.44 H new ATOM 0 HG LEU B 171 -0.659 -10.617 3.318 1.00 71.12 H new ATOM 0 HD11 LEU B 171 0.131 -12.419 4.800 1.00 70.51 H new ATOM 0 HD12 LEU B 171 -0.215 -13.017 3.159 1.00 70.51 H new ATOM 0 HD13 LEU B 171 1.468 -12.750 3.672 1.00 70.51 H new ATOM 0 HD21 LEU B 171 0.897 -10.116 5.156 1.00 11.20 H new ATOM 0 HD22 LEU B 171 2.273 -10.364 4.054 1.00 11.20 H new ATOM 0 HD23 LEU B 171 1.135 -9.025 3.771 1.00 11.20 H new ATOM 816 N GLU B 172 0.438 -10.235 -1.127 1.00 61.41 N ATOM 817 CA GLU B 172 0.684 -10.396 -2.568 1.00 12.34 C ATOM 818 C GLU B 172 0.905 -9.034 -3.262 1.00 12.03 C ATOM 819 O GLU B 172 1.835 -8.861 -4.062 1.00 11.21 O ATOM 820 CB GLU B 172 -0.519 -11.116 -3.208 1.00 22.42 C ATOM 821 CG GLU B 172 -1.852 -10.529 -2.758 1.00 4.33 C ATOM 822 CD GLU B 172 -3.035 -10.958 -3.565 1.00 14.33 C ATOM 823 OE1 GLU B 172 -3.626 -12.007 -3.277 1.00 61.51 O ATOM 824 OE2 GLU B 172 -3.452 -10.203 -4.466 1.00 71.05 O1- ATOM 0 H GLU B 172 -0.440 -10.651 -0.817 1.00 61.41 H new ATOM 0 HA GLU B 172 1.591 -10.987 -2.698 1.00 12.34 H new ATOM 0 HB2 GLU B 172 -0.444 -11.050 -4.293 1.00 22.42 H new ATOM 0 HB3 GLU B 172 -0.485 -12.174 -2.950 1.00 22.42 H new ATOM 0 HG2 GLU B 172 -2.021 -10.806 -1.717 1.00 4.33 H new ATOM 0 HG3 GLU B 172 -1.783 -9.442 -2.791 1.00 4.33 H new ATOM 831 N LYS B 173 0.075 -8.076 -2.897 1.00 75.52 N ATOM 832 CA LYS B 173 0.059 -6.782 -3.490 1.00 52.14 C ATOM 833 C LYS B 173 1.264 -5.947 -3.106 1.00 13.42 C ATOM 834 O LYS B 173 1.911 -5.338 -3.959 1.00 22.05 O ATOM 835 CB LYS B 173 -1.217 -6.116 -3.115 1.00 52.11 C ATOM 836 CG LYS B 173 -2.376 -6.733 -3.778 1.00 23.24 C ATOM 837 CD LYS B 173 -3.614 -6.158 -3.275 1.00 32.34 C ATOM 838 CE LYS B 173 -4.866 -6.811 -3.862 1.00 65.44 C ATOM 839 NZ LYS B 173 -5.034 -8.241 -3.481 1.00 43.00 N1+ ATOM 0 H LYS B 173 -0.619 -8.194 -2.159 1.00 75.52 H new ATOM 0 HA LYS B 173 0.120 -6.887 -4.573 1.00 52.14 H new ATOM 0 HB2 LYS B 173 -1.348 -6.166 -2.034 1.00 52.11 H new ATOM 0 HB3 LYS B 173 -1.167 -5.060 -3.381 1.00 52.11 H new ATOM 0 HG2 LYS B 173 -2.309 -6.582 -4.855 1.00 23.24 H new ATOM 0 HG3 LYS B 173 -2.371 -7.809 -3.606 1.00 23.24 H new ATOM 0 HD2 LYS B 173 -3.637 -6.255 -2.190 1.00 32.34 H new ATOM 0 HD3 LYS B 173 -3.629 -5.092 -3.500 1.00 32.34 H new ATOM 0 HE2 LYS B 173 -5.743 -6.252 -3.535 1.00 65.44 H new ATOM 0 HE3 LYS B 173 -4.828 -6.736 -4.949 1.00 65.44 H new ATOM 0 HZ1 LYS B 173 -6.047 -8.475 -3.449 1.00 43.00 H new ATOM 0 HZ2 LYS B 173 -4.561 -8.845 -4.183 1.00 43.00 H new ATOM 0 HZ3 LYS B 173 -4.612 -8.403 -2.544 1.00 43.00 H new ATOM 853 N LEU B 174 1.591 -5.983 -1.829 1.00 32.33 N ATOM 854 CA LEU B 174 2.718 -5.264 -1.260 1.00 44.15 C ATOM 855 C LEU B 174 4.010 -5.719 -1.945 1.00 4.04 C ATOM 856 O LEU B 174 4.891 -4.907 -2.239 1.00 43.44 O ATOM 857 CB LEU B 174 2.723 -5.510 0.289 1.00 22.15 C ATOM 858 CG LEU B 174 3.755 -4.795 1.197 1.00 32.13 C ATOM 859 CD1 LEU B 174 5.128 -5.430 1.124 1.00 13.11 C ATOM 860 CD2 LEU B 174 3.828 -3.315 0.870 1.00 43.15 C ATOM 0 H LEU B 174 1.069 -6.525 -1.141 1.00 32.33 H new ATOM 0 HA LEU B 174 2.638 -4.190 -1.428 1.00 44.15 H new ATOM 0 HB2 LEU B 174 1.732 -5.247 0.659 1.00 22.15 H new ATOM 0 HB3 LEU B 174 2.847 -6.582 0.444 1.00 22.15 H new ATOM 0 HG LEU B 174 3.406 -4.909 2.223 1.00 32.13 H new ATOM 0 HD11 LEU B 174 5.813 -4.891 1.778 1.00 13.11 H new ATOM 0 HD12 LEU B 174 5.065 -6.471 1.442 1.00 13.11 H new ATOM 0 HD13 LEU B 174 5.495 -5.386 0.099 1.00 13.11 H new ATOM 0 HD21 LEU B 174 4.559 -2.834 1.520 1.00 43.15 H new ATOM 0 HD22 LEU B 174 4.128 -3.187 -0.170 1.00 43.15 H new ATOM 0 HD23 LEU B 174 2.850 -2.860 1.025 1.00 43.15 H new ATOM 872 N GLU B 175 4.075 -7.005 -2.262 1.00 64.22 N ATOM 873 CA GLU B 175 5.177 -7.614 -2.902 1.00 34.22 C ATOM 874 C GLU B 175 5.371 -7.176 -4.357 1.00 30.54 C ATOM 875 O GLU B 175 6.455 -7.351 -4.911 1.00 40.22 O ATOM 876 CB GLU B 175 5.008 -9.081 -2.812 1.00 31.20 C ATOM 877 CG GLU B 175 5.324 -9.654 -1.460 1.00 63.55 C ATOM 878 CD GLU B 175 5.093 -11.126 -1.415 1.00 72.13 C ATOM 879 OE1 GLU B 175 5.759 -11.869 -2.179 1.00 5.21 O ATOM 880 OE2 GLU B 175 4.275 -11.585 -0.604 1.00 12.05 O1- ATOM 0 H GLU B 175 3.318 -7.658 -2.062 1.00 64.22 H new ATOM 0 HA GLU B 175 6.082 -7.290 -2.388 1.00 34.22 H new ATOM 0 HB2 GLU B 175 3.980 -9.334 -3.070 1.00 31.20 H new ATOM 0 HB3 GLU B 175 5.649 -9.556 -3.555 1.00 31.20 H new ATOM 0 HG2 GLU B 175 6.363 -9.441 -1.209 1.00 63.55 H new ATOM 0 HG3 GLU B 175 4.707 -9.166 -0.705 1.00 63.55 H new ATOM 887 N GLN B 176 4.336 -6.649 -4.985 1.00 53.05 N ATOM 888 CA GLN B 176 4.458 -6.141 -6.342 1.00 51.12 C ATOM 889 C GLN B 176 5.188 -4.823 -6.270 1.00 15.23 C ATOM 890 O GLN B 176 6.156 -4.556 -6.997 1.00 25.45 O ATOM 891 CB GLN B 176 3.084 -5.894 -6.932 1.00 22.05 C ATOM 892 CG GLN B 176 2.162 -7.093 -6.954 1.00 3.54 C ATOM 893 CD GLN B 176 2.709 -8.254 -7.748 1.00 35.11 C ATOM 894 OE1 GLN B 176 2.501 -8.349 -8.950 1.00 25.33 O ATOM 895 NE2 GLN B 176 3.358 -9.169 -7.080 1.00 12.14 N ATOM 0 H GLN B 176 3.404 -6.561 -4.580 1.00 53.05 H new ATOM 0 HA GLN B 176 4.989 -6.862 -6.963 1.00 51.12 H new ATOM 0 HB2 GLN B 176 2.602 -5.097 -6.366 1.00 22.05 H new ATOM 0 HB3 GLN B 176 3.205 -5.532 -7.953 1.00 22.05 H new ATOM 0 HG2 GLN B 176 1.976 -7.418 -5.930 1.00 3.54 H new ATOM 0 HG3 GLN B 176 1.201 -6.796 -7.374 1.00 3.54 H new ATOM 0 HE21 GLN B 176 3.513 -9.056 -6.078 1.00 12.14 H new ATOM 0 HE22 GLN B 176 3.710 -9.997 -7.560 1.00 12.14 H new ATOM 904 N LEU B 177 4.727 -4.024 -5.337 1.00 55.23 N ATOM 905 CA LEU B 177 5.259 -2.711 -5.045 1.00 50.03 C ATOM 906 C LEU B 177 6.682 -2.828 -4.507 1.00 2.24 C ATOM 907 O LEU B 177 7.488 -1.914 -4.625 1.00 11.31 O ATOM 908 CB LEU B 177 4.278 -2.032 -4.067 1.00 4.33 C ATOM 909 CG LEU B 177 4.468 -0.572 -3.682 1.00 13.40 C ATOM 910 CD1 LEU B 177 5.593 -0.383 -2.689 1.00 11.02 C ATOM 911 CD2 LEU B 177 4.676 0.255 -4.942 1.00 54.44 C ATOM 0 H LEU B 177 3.942 -4.279 -4.737 1.00 55.23 H new ATOM 0 HA LEU B 177 5.340 -2.091 -5.938 1.00 50.03 H new ATOM 0 HB2 LEU B 177 3.279 -2.126 -4.494 1.00 4.33 H new ATOM 0 HB3 LEU B 177 4.287 -2.613 -3.145 1.00 4.33 H new ATOM 0 HG LEU B 177 3.567 -0.225 -3.176 1.00 13.40 H new ATOM 0 HD11 LEU B 177 5.689 0.675 -2.445 1.00 11.02 H new ATOM 0 HD12 LEU B 177 5.376 -0.946 -1.781 1.00 11.02 H new ATOM 0 HD13 LEU B 177 6.526 -0.742 -3.124 1.00 11.02 H new ATOM 0 HD21 LEU B 177 4.813 1.302 -4.672 1.00 54.44 H new ATOM 0 HD22 LEU B 177 5.561 -0.102 -5.470 1.00 54.44 H new ATOM 0 HD23 LEU B 177 3.804 0.158 -5.589 1.00 54.44 H new ATOM 923 N GLN B 178 6.983 -3.956 -3.928 1.00 31.43 N ATOM 924 CA GLN B 178 8.339 -4.240 -3.461 1.00 34.22 C ATOM 925 C GLN B 178 9.380 -4.112 -4.570 1.00 43.53 C ATOM 926 O GLN B 178 10.491 -3.667 -4.311 1.00 33.40 O ATOM 927 CB GLN B 178 8.461 -5.599 -2.789 1.00 22.20 C ATOM 928 CG GLN B 178 7.770 -5.683 -1.453 1.00 63.12 C ATOM 929 CD GLN B 178 8.223 -4.598 -0.508 1.00 52.34 C ATOM 930 OE1 GLN B 178 9.189 -4.752 0.214 1.00 3.53 O ATOM 931 NE2 GLN B 178 7.510 -3.504 -0.483 1.00 12.22 N ATOM 0 H GLN B 178 6.313 -4.707 -3.761 1.00 31.43 H new ATOM 0 HA GLN B 178 8.544 -3.476 -2.711 1.00 34.22 H new ATOM 0 HB2 GLN B 178 8.045 -6.359 -3.450 1.00 22.20 H new ATOM 0 HB3 GLN B 178 9.517 -5.834 -2.656 1.00 22.20 H new ATOM 0 HG2 GLN B 178 6.692 -5.609 -1.598 1.00 63.12 H new ATOM 0 HG3 GLN B 178 7.966 -6.657 -1.005 1.00 63.12 H new ATOM 0 HE21 GLN B 178 6.705 -3.406 -1.102 1.00 12.22 H new ATOM 0 HE22 GLN B 178 7.758 -2.748 0.155 1.00 12.22 H new ATOM 940 N SER B 179 8.994 -4.403 -5.808 1.00 11.02 N ATOM 941 CA SER B 179 9.908 -4.337 -6.953 1.00 25.41 C ATOM 942 C SER B 179 10.118 -2.886 -7.448 1.00 10.24 C ATOM 943 O SER B 179 10.651 -2.665 -8.535 1.00 40.01 O ATOM 944 CB SER B 179 9.361 -5.214 -8.076 1.00 32.12 C ATOM 945 OG SER B 179 9.195 -6.552 -7.622 1.00 64.32 O ATOM 0 H SER B 179 8.046 -4.690 -6.050 1.00 11.02 H new ATOM 0 HA SER B 179 10.884 -4.704 -6.636 1.00 25.41 H new ATOM 0 HB2 SER B 179 8.406 -4.819 -8.422 1.00 32.12 H new ATOM 0 HB3 SER B 179 10.042 -5.193 -8.927 1.00 32.12 H new ATOM 0 HG SER B 179 8.842 -7.103 -8.351 1.00 64.32 H new ATOM 951 N HIS B 180 9.728 -1.939 -6.613 1.00 24.01 N ATOM 952 CA HIS B 180 9.812 -0.491 -6.856 1.00 14.12 C ATOM 953 C HIS B 180 11.212 -0.022 -7.280 1.00 13.51 C ATOM 954 O HIS B 180 12.225 -0.666 -6.985 1.00 60.24 O ATOM 955 CB HIS B 180 9.421 0.264 -5.572 1.00 1.42 C ATOM 956 CG HIS B 180 10.450 0.212 -4.443 1.00 74.51 C ATOM 957 ND1 HIS B 180 10.690 -0.898 -3.661 1.00 63.40 N ATOM 958 CD2 HIS B 180 11.318 1.153 -4.007 1.00 44.44 C ATOM 959 CE1 HIS B 180 11.647 -0.628 -2.805 1.00 71.54 C ATOM 960 NE2 HIS B 180 12.047 0.607 -2.995 1.00 34.33 N ATOM 0 H HIS B 180 9.324 -2.158 -5.702 1.00 24.01 H new ATOM 0 HA HIS B 180 9.129 -0.276 -7.678 1.00 14.12 H new ATOM 0 HB2 HIS B 180 9.238 1.308 -5.826 1.00 1.42 H new ATOM 0 HB3 HIS B 180 8.480 -0.144 -5.203 1.00 1.42 H new ATOM 0 HD1 HIS B 180 10.200 -1.790 -3.736 1.00 63.40 H new ATOM 0 HD2 HIS B 180 11.415 2.157 -4.392 1.00 44.44 H new ATOM 0 HE1 HIS B 180 12.041 -1.310 -2.066 1.00 71.54 H new ATOM 969 N GLU B 181 11.241 1.118 -7.896 1.00 2.23 N ATOM 970 CA GLU B 181 12.457 1.771 -8.322 1.00 3.54 C ATOM 971 C GLU B 181 12.570 3.117 -7.609 1.00 21.45 C ATOM 972 O GLU B 181 13.662 3.563 -7.246 1.00 41.00 O ATOM 973 CB GLU B 181 12.425 1.997 -9.830 1.00 22.41 C ATOM 974 CG GLU B 181 12.340 0.729 -10.654 1.00 21.45 C ATOM 975 CD GLU B 181 12.199 1.020 -12.117 1.00 4.11 C ATOM 976 OE1 GLU B 181 13.199 1.379 -12.761 1.00 21.44 O ATOM 977 OE2 GLU B 181 11.078 0.908 -12.655 1.00 34.25 O1- ATOM 0 H GLU B 181 10.398 1.643 -8.127 1.00 2.23 H new ATOM 0 HA GLU B 181 13.314 1.144 -8.075 1.00 3.54 H new ATOM 0 HB2 GLU B 181 11.571 2.630 -10.072 1.00 22.41 H new ATOM 0 HB3 GLU B 181 13.321 2.545 -10.121 1.00 22.41 H new ATOM 0 HG2 GLU B 181 13.234 0.128 -10.488 1.00 21.45 H new ATOM 0 HG3 GLU B 181 11.490 0.135 -10.319 1.00 21.45 H new ATOM 984 N ASN B 182 11.422 3.736 -7.387 1.00 1.10 N ATOM 985 CA ASN B 182 11.318 5.051 -6.756 1.00 51.53 C ATOM 986 C ASN B 182 11.606 4.942 -5.323 1.00 31.02 C ATOM 987 O ASN B 182 11.075 4.098 -4.598 1.00 72.11 O ATOM 988 CB ASN B 182 9.941 5.664 -7.018 1.00 70.24 C ATOM 989 CG ASN B 182 9.746 7.119 -6.584 1.00 71.13 C ATOM 990 OD1 ASN B 182 10.304 7.591 -5.595 1.00 53.24 O ATOM 991 ND2 ASN B 182 8.953 7.832 -7.332 1.00 41.44 N ATOM 0 H ASN B 182 10.519 3.336 -7.643 1.00 1.10 H new ATOM 0 HA ASN B 182 12.058 5.721 -7.194 1.00 51.53 H new ATOM 0 HB2 ASN B 182 9.735 5.596 -8.086 1.00 70.24 H new ATOM 0 HB3 ASN B 182 9.194 5.054 -6.510 1.00 70.24 H new ATOM 0 HD21 ASN B 182 8.780 8.811 -7.104 1.00 41.44 H new ATOM 0 HD22 ASN B 182 8.505 7.411 -8.146 1.00 41.44 H new ATOM 998 N GLU B 183 12.407 5.836 -4.932 1.00 21.41 N ATOM 999 CA GLU B 183 12.988 5.891 -3.673 1.00 75.53 C ATOM 1000 C GLU B 183 11.959 6.211 -2.583 1.00 53.13 C ATOM 1001 O GLU B 183 12.070 5.725 -1.458 1.00 62.23 O ATOM 1002 CB GLU B 183 14.067 6.929 -3.764 1.00 4.41 C ATOM 1003 CG GLU B 183 13.596 8.369 -3.674 1.00 71.12 C ATOM 1004 CD GLU B 183 14.675 9.330 -4.051 1.00 70.35 C ATOM 1005 OE1 GLU B 183 15.011 9.418 -5.252 1.00 10.34 O1- ATOM 1006 OE2 GLU B 183 15.238 9.989 -3.155 1.00 74.32 O ATOM 0 H GLU B 183 12.694 6.608 -5.533 1.00 21.41 H new ATOM 0 HA GLU B 183 13.404 4.925 -3.385 1.00 75.53 H new ATOM 0 HB2 GLU B 183 14.788 6.750 -2.966 1.00 4.41 H new ATOM 0 HB3 GLU B 183 14.596 6.796 -4.707 1.00 4.41 H new ATOM 0 HG2 GLU B 183 12.737 8.512 -4.329 1.00 71.12 H new ATOM 0 HG3 GLU B 183 13.261 8.579 -2.658 1.00 71.12 H new ATOM 1013 N LYS B 184 10.933 6.983 -2.932 1.00 31.52 N ATOM 1014 CA LYS B 184 9.930 7.373 -1.964 1.00 55.01 C ATOM 1015 C LYS B 184 9.022 6.195 -1.683 1.00 72.22 C ATOM 1016 O LYS B 184 8.526 6.015 -0.575 1.00 13.24 O ATOM 1017 CB LYS B 184 9.093 8.552 -2.470 1.00 13.15 C ATOM 1018 CG LYS B 184 9.899 9.790 -2.840 1.00 23.11 C ATOM 1019 CD LYS B 184 8.999 10.937 -3.300 1.00 51.20 C ATOM 1020 CE LYS B 184 8.160 11.514 -2.161 1.00 41.21 C ATOM 1021 NZ LYS B 184 7.297 12.630 -2.614 1.00 13.42 N1+ ATOM 0 H LYS B 184 10.781 7.345 -3.873 1.00 31.52 H new ATOM 0 HA LYS B 184 10.438 7.685 -1.052 1.00 55.01 H new ATOM 0 HB2 LYS B 184 8.526 8.230 -3.343 1.00 13.15 H new ATOM 0 HB3 LYS B 184 8.369 8.822 -1.702 1.00 13.15 H new ATOM 0 HG2 LYS B 184 10.487 10.112 -1.980 1.00 23.11 H new ATOM 0 HG3 LYS B 184 10.604 9.541 -3.633 1.00 23.11 H new ATOM 0 HD2 LYS B 184 9.614 11.727 -3.730 1.00 51.20 H new ATOM 0 HD3 LYS B 184 8.338 10.581 -4.090 1.00 51.20 H new ATOM 0 HE2 LYS B 184 7.539 10.727 -1.734 1.00 41.21 H new ATOM 0 HE3 LYS B 184 8.820 11.865 -1.368 1.00 41.21 H new ATOM 0 HZ1 LYS B 184 6.746 12.991 -1.809 1.00 13.42 H new ATOM 0 HZ2 LYS B 184 7.890 13.393 -2.998 1.00 13.42 H new ATOM 0 HZ3 LYS B 184 6.649 12.290 -3.353 1.00 13.42 H new ATOM 1035 N ILE B 185 8.883 5.357 -2.692 1.00 60.21 N ATOM 1036 CA ILE B 185 8.006 4.201 -2.676 1.00 75.21 C ATOM 1037 C ILE B 185 8.426 3.183 -1.592 1.00 0.43 C ATOM 1038 O ILE B 185 7.596 2.442 -1.060 1.00 60.43 O ATOM 1039 CB ILE B 185 7.980 3.542 -4.075 1.00 72.20 C ATOM 1040 CG1 ILE B 185 7.418 4.517 -5.090 1.00 53.13 C ATOM 1041 CG2 ILE B 185 7.164 2.270 -4.084 1.00 64.03 C ATOM 1042 CD1 ILE B 185 5.970 4.870 -4.897 1.00 52.31 C ATOM 0 H ILE B 185 9.391 5.464 -3.570 1.00 60.21 H new ATOM 0 HA ILE B 185 7.000 4.538 -2.425 1.00 75.21 H new ATOM 0 HB ILE B 185 9.005 3.281 -4.337 1.00 72.20 H new ATOM 0 HG12 ILE B 185 8.007 5.433 -5.056 1.00 53.13 H new ATOM 0 HG13 ILE B 185 7.544 4.094 -6.087 1.00 53.13 H new ATOM 0 HG21 ILE B 185 7.172 1.840 -5.085 1.00 64.03 H new ATOM 0 HG22 ILE B 185 7.593 1.558 -3.379 1.00 64.03 H new ATOM 0 HG23 ILE B 185 6.138 2.494 -3.794 1.00 64.03 H new ATOM 0 HD11 ILE B 185 5.660 5.572 -5.671 1.00 52.31 H new ATOM 0 HD12 ILE B 185 5.363 3.967 -4.963 1.00 52.31 H new ATOM 0 HD13 ILE B 185 5.834 5.327 -3.917 1.00 52.31 H new ATOM 1054 N GLN B 186 9.711 3.188 -1.247 1.00 51.04 N ATOM 1055 CA GLN B 186 10.256 2.337 -0.204 1.00 13.34 C ATOM 1056 C GLN B 186 9.538 2.653 1.123 1.00 43.21 C ATOM 1057 O GLN B 186 9.230 1.766 1.910 1.00 14.42 O ATOM 1058 CB GLN B 186 11.747 2.647 -0.074 1.00 3.31 C ATOM 1059 CG GLN B 186 12.634 1.460 0.250 1.00 30.13 C ATOM 1060 CD GLN B 186 12.339 0.787 1.577 1.00 33.34 C ATOM 1061 OE1 GLN B 186 12.872 1.178 2.606 1.00 41.14 O ATOM 1062 NE2 GLN B 186 11.539 -0.247 1.566 1.00 12.44 N ATOM 0 H GLN B 186 10.406 3.790 -1.690 1.00 51.04 H new ATOM 0 HA GLN B 186 10.113 1.284 -0.445 1.00 13.34 H new ATOM 0 HB2 GLN B 186 12.091 3.091 -1.008 1.00 3.31 H new ATOM 0 HB3 GLN B 186 11.878 3.399 0.704 1.00 3.31 H new ATOM 0 HG2 GLN B 186 12.534 0.722 -0.546 1.00 30.13 H new ATOM 0 HG3 GLN B 186 13.673 1.790 0.249 1.00 30.13 H new ATOM 0 HE21 GLN B 186 11.109 -0.550 0.692 1.00 12.44 H new ATOM 0 HE22 GLN B 186 11.345 -0.751 2.431 1.00 12.44 H new ATOM 1071 N LYS B 187 9.249 3.923 1.317 1.00 22.52 N ATOM 1072 CA LYS B 187 8.576 4.399 2.495 1.00 74.33 C ATOM 1073 C LYS B 187 7.064 4.236 2.309 1.00 72.42 C ATOM 1074 O LYS B 187 6.348 3.922 3.245 1.00 44.24 O ATOM 1075 CB LYS B 187 8.987 5.869 2.733 1.00 51.52 C ATOM 1076 CG LYS B 187 8.645 6.462 4.109 1.00 61.53 C ATOM 1077 CD LYS B 187 7.178 6.789 4.301 1.00 22.21 C ATOM 1078 CE LYS B 187 6.701 7.761 3.254 1.00 31.44 C ATOM 1079 NZ LYS B 187 5.410 8.375 3.625 1.00 31.33 N1+ ATOM 0 H LYS B 187 9.480 4.658 0.649 1.00 22.52 H new ATOM 0 HA LYS B 187 8.859 3.823 3.376 1.00 74.33 H new ATOM 0 HB2 LYS B 187 10.064 5.951 2.584 1.00 51.52 H new ATOM 0 HB3 LYS B 187 8.512 6.484 1.969 1.00 51.52 H new ATOM 0 HG2 LYS B 187 8.952 5.757 4.882 1.00 61.53 H new ATOM 0 HG3 LYS B 187 9.230 7.370 4.256 1.00 61.53 H new ATOM 0 HD2 LYS B 187 6.588 5.874 4.249 1.00 22.21 H new ATOM 0 HD3 LYS B 187 7.023 7.212 5.293 1.00 22.21 H new ATOM 0 HE2 LYS B 187 7.449 8.542 3.115 1.00 31.44 H new ATOM 0 HE3 LYS B 187 6.598 7.245 2.299 1.00 31.44 H new ATOM 0 HZ1 LYS B 187 4.707 8.179 2.884 1.00 31.33 H new ATOM 0 HZ2 LYS B 187 5.082 7.976 4.528 1.00 31.33 H new ATOM 0 HZ3 LYS B 187 5.530 9.403 3.725 1.00 31.33 H new ATOM 1093 N GLU B 188 6.603 4.397 1.081 1.00 1.40 N ATOM 1094 CA GLU B 188 5.177 4.290 0.753 1.00 41.11 C ATOM 1095 C GLU B 188 4.630 2.880 1.014 1.00 55.30 C ATOM 1096 O GLU B 188 3.472 2.715 1.409 1.00 1.32 O ATOM 1097 CB GLU B 188 4.933 4.697 -0.694 1.00 0.21 C ATOM 1098 CG GLU B 188 5.397 6.108 -1.033 1.00 71.14 C ATOM 1099 CD GLU B 188 4.636 7.199 -0.312 1.00 11.41 C ATOM 1100 OE1 GLU B 188 4.530 7.169 0.931 1.00 62.41 O1- ATOM 1101 OE2 GLU B 188 4.131 8.116 -0.980 1.00 31.44 O ATOM 0 H GLU B 188 7.198 4.605 0.279 1.00 1.40 H new ATOM 0 HA GLU B 188 4.639 4.973 1.410 1.00 41.11 H new ATOM 0 HB2 GLU B 188 5.444 3.991 -1.349 1.00 0.21 H new ATOM 0 HB3 GLU B 188 3.867 4.616 -0.908 1.00 0.21 H new ATOM 0 HG2 GLU B 188 6.456 6.198 -0.792 1.00 71.14 H new ATOM 0 HG3 GLU B 188 5.301 6.262 -2.108 1.00 71.14 H new ATOM 1108 N ALA B 189 5.481 1.874 0.814 1.00 22.15 N ATOM 1109 CA ALA B 189 5.139 0.467 1.063 1.00 34.34 C ATOM 1110 C ALA B 189 4.683 0.247 2.513 1.00 10.01 C ATOM 1111 O ALA B 189 3.838 -0.614 2.795 1.00 70.11 O ATOM 1112 CB ALA B 189 6.340 -0.428 0.751 1.00 52.44 C ATOM 0 H ALA B 189 6.433 2.009 0.473 1.00 22.15 H new ATOM 0 HA ALA B 189 4.310 0.203 0.407 1.00 34.34 H new ATOM 0 HB1 ALA B 189 6.077 -1.469 0.939 1.00 52.44 H new ATOM 0 HB2 ALA B 189 6.621 -0.308 -0.295 1.00 52.44 H new ATOM 0 HB3 ALA B 189 7.179 -0.146 1.387 1.00 52.44 H new ATOM 1118 N GLN B 190 5.204 1.075 3.407 1.00 64.45 N ATOM 1119 CA GLN B 190 4.914 1.014 4.834 1.00 73.23 C ATOM 1120 C GLN B 190 3.443 1.234 5.160 1.00 61.30 C ATOM 1121 O GLN B 190 3.004 0.883 6.263 1.00 21.21 O ATOM 1122 CB GLN B 190 5.808 1.966 5.612 1.00 2.33 C ATOM 1123 CG GLN B 190 7.274 1.565 5.574 1.00 20.12 C ATOM 1124 CD GLN B 190 7.613 0.436 6.518 1.00 2.31 C ATOM 1125 OE1 GLN B 190 6.779 -0.408 6.837 1.00 32.22 O ATOM 1126 NE2 GLN B 190 8.837 0.409 6.974 1.00 62.14 N ATOM 0 H GLN B 190 5.852 1.822 3.157 1.00 64.45 H new ATOM 0 HA GLN B 190 5.138 -0.004 5.151 1.00 73.23 H new ATOM 0 HB2 GLN B 190 5.701 2.971 5.205 1.00 2.33 H new ATOM 0 HB3 GLN B 190 5.474 2.005 6.649 1.00 2.33 H new ATOM 0 HG2 GLN B 190 7.536 1.270 4.558 1.00 20.12 H new ATOM 0 HG3 GLN B 190 7.886 2.432 5.822 1.00 20.12 H new ATOM 0 HE21 GLN B 190 9.504 1.126 6.688 1.00 62.14 H new ATOM 0 HE22 GLN B 190 9.126 -0.329 7.616 1.00 62.14 H new ATOM 1135 N GLU B 191 2.688 1.842 4.219 1.00 20.43 N ATOM 1136 CA GLU B 191 1.250 2.038 4.381 1.00 21.04 C ATOM 1137 C GLU B 191 0.583 0.735 4.785 1.00 11.53 C ATOM 1138 O GLU B 191 0.012 0.652 5.849 1.00 43.14 O ATOM 1139 CB GLU B 191 0.608 2.601 3.099 1.00 13.23 C ATOM 1140 CG GLU B 191 -0.934 2.711 3.122 1.00 73.14 C ATOM 1141 CD GLU B 191 -1.493 3.521 4.287 1.00 25.30 C ATOM 1142 OE1 GLU B 191 -1.094 4.714 4.458 1.00 63.00 O ATOM 1143 OE2 GLU B 191 -2.366 2.981 5.030 1.00 14.54 O1- ATOM 0 H GLU B 191 3.062 2.203 3.341 1.00 20.43 H new ATOM 0 HA GLU B 191 1.099 2.771 5.173 1.00 21.04 H new ATOM 0 HB2 GLU B 191 1.023 3.591 2.910 1.00 13.23 H new ATOM 0 HB3 GLU B 191 0.898 1.968 2.260 1.00 13.23 H new ATOM 0 HG2 GLU B 191 -1.267 3.164 2.188 1.00 73.14 H new ATOM 0 HG3 GLU B 191 -1.357 1.707 3.158 1.00 73.14 H new ATOM 1150 N ALA B 192 0.683 -0.272 3.961 1.00 12.05 N ATOM 1151 CA ALA B 192 0.080 -1.546 4.279 1.00 52.44 C ATOM 1152 C ALA B 192 0.984 -2.437 5.129 1.00 63.31 C ATOM 1153 O ALA B 192 0.507 -3.078 6.063 1.00 62.12 O ATOM 1154 CB ALA B 192 -0.358 -2.269 3.028 1.00 12.11 C ATOM 0 H ALA B 192 1.173 -0.240 3.067 1.00 12.05 H new ATOM 0 HA ALA B 192 -0.801 -1.325 4.882 1.00 52.44 H new ATOM 0 HB1 ALA B 192 -0.808 -3.224 3.298 1.00 12.11 H new ATOM 0 HB2 ALA B 192 -1.089 -1.662 2.494 1.00 12.11 H new ATOM 0 HB3 ALA B 192 0.506 -2.444 2.387 1.00 12.11 H new ATOM 1160 N LEU B 193 2.299 -2.405 4.822 1.00 21.32 N ATOM 1161 CA LEU B 193 3.314 -3.317 5.358 1.00 65.15 C ATOM 1162 C LEU B 193 3.230 -3.422 6.868 1.00 0.51 C ATOM 1163 O LEU B 193 2.911 -4.459 7.419 1.00 31.01 O ATOM 1164 CB LEU B 193 4.683 -2.726 4.963 1.00 24.10 C ATOM 1165 CG LEU B 193 5.929 -3.611 5.038 1.00 35.55 C ATOM 1166 CD1 LEU B 193 7.003 -3.046 4.123 1.00 41.22 C ATOM 1167 CD2 LEU B 193 6.456 -3.604 6.441 1.00 3.03 C ATOM 0 H LEU B 193 2.688 -1.720 4.174 1.00 21.32 H new ATOM 0 HA LEU B 193 3.164 -4.319 4.957 1.00 65.15 H new ATOM 0 HB2 LEU B 193 4.600 -2.363 3.939 1.00 24.10 H new ATOM 0 HB3 LEU B 193 4.860 -1.857 5.596 1.00 24.10 H new ATOM 0 HG LEU B 193 5.670 -4.625 4.735 1.00 35.55 H new ATOM 0 HD11 LEU B 193 7.892 -3.674 4.174 1.00 41.22 H new ATOM 0 HD12 LEU B 193 6.633 -3.024 3.098 1.00 41.22 H new ATOM 0 HD13 LEU B 193 7.255 -2.034 4.440 1.00 41.22 H new ATOM 0 HD21 LEU B 193 7.344 -4.233 6.499 1.00 3.03 H new ATOM 0 HD22 LEU B 193 6.714 -2.585 6.728 1.00 3.03 H new ATOM 0 HD23 LEU B 193 5.693 -3.989 7.118 1.00 3.03 H new ATOM 1179 N GLU B 194 3.458 -2.315 7.487 1.00 32.42 N ATOM 1180 CA GLU B 194 3.509 -2.137 8.840 1.00 1.13 C ATOM 1181 C GLU B 194 2.183 -2.448 9.523 1.00 25.31 C ATOM 1182 O GLU B 194 2.085 -3.248 10.457 1.00 45.10 O ATOM 1183 CB GLU B 194 3.803 -0.683 8.939 1.00 42.50 C ATOM 1184 CG GLU B 194 3.796 -0.256 10.306 1.00 61.52 C ATOM 1185 CD GLU B 194 4.334 1.112 10.536 1.00 43.35 C ATOM 1186 OE1 GLU B 194 5.552 1.308 10.422 1.00 14.30 O1- ATOM 1187 OE2 GLU B 194 3.546 2.029 10.835 1.00 73.13 O ATOM 0 H GLU B 194 3.626 -1.446 6.979 1.00 32.42 H new ATOM 0 HA GLU B 194 4.232 -2.793 9.325 1.00 1.13 H new ATOM 0 HB2 GLU B 194 4.775 -0.472 8.492 1.00 42.50 H new ATOM 0 HB3 GLU B 194 3.063 -0.118 8.373 1.00 42.50 H new ATOM 0 HG2 GLU B 194 2.773 -0.296 10.679 1.00 61.52 H new ATOM 0 HG3 GLU B 194 4.378 -0.964 10.896 1.00 61.52 H new ATOM 1194 N LYS B 195 1.229 -1.779 9.024 1.00 35.45 N ATOM 1195 CA LYS B 195 -0.124 -1.729 9.428 1.00 0.22 C ATOM 1196 C LYS B 195 -0.775 -3.103 9.626 1.00 34.32 C ATOM 1197 O LYS B 195 -1.549 -3.278 10.578 1.00 24.42 O ATOM 1198 CB LYS B 195 -0.776 -0.950 8.333 1.00 52.22 C ATOM 1199 CG LYS B 195 -2.248 -0.794 8.348 1.00 23.11 C ATOM 1200 CD LYS B 195 -2.622 0.048 7.151 1.00 42.32 C ATOM 1201 CE LYS B 195 -4.059 0.443 7.088 1.00 61.10 C ATOM 1202 NZ LYS B 195 -4.279 1.322 5.916 1.00 34.23 N1+ ATOM 0 H LYS B 195 1.392 -1.174 8.219 1.00 35.45 H new ATOM 0 HA LYS B 195 -0.231 -1.275 10.413 1.00 0.22 H new ATOM 0 HB2 LYS B 195 -0.338 0.048 8.332 1.00 52.22 H new ATOM 0 HB3 LYS B 195 -0.503 -1.418 7.387 1.00 52.22 H new ATOM 0 HG2 LYS B 195 -2.738 -1.767 8.302 1.00 23.11 H new ATOM 0 HG3 LYS B 195 -2.574 -0.316 9.271 1.00 23.11 H new ATOM 0 HD2 LYS B 195 -2.011 0.951 7.155 1.00 42.32 H new ATOM 0 HD3 LYS B 195 -2.371 -0.503 6.244 1.00 42.32 H new ATOM 0 HE2 LYS B 195 -4.688 -0.444 7.014 1.00 61.10 H new ATOM 0 HE3 LYS B 195 -4.345 0.961 8.003 1.00 61.10 H new ATOM 0 HZ1 LYS B 195 -4.922 2.096 6.179 1.00 34.23 H new ATOM 0 HZ2 LYS B 195 -3.370 1.718 5.603 1.00 34.23 H new ATOM 0 HZ3 LYS B 195 -4.700 0.770 5.142 1.00 34.23 H new ATOM 1216 N LEU B 196 -0.482 -4.063 8.753 1.00 42.45 N ATOM 1217 CA LEU B 196 -1.081 -5.334 8.835 1.00 65.11 C ATOM 1218 C LEU B 196 -0.381 -6.244 9.811 1.00 32.01 C ATOM 1219 O LEU B 196 -0.975 -7.199 10.304 1.00 22.43 O ATOM 1220 CB LEU B 196 -1.081 -5.964 7.464 1.00 75.42 C ATOM 1221 CG LEU B 196 0.245 -6.452 6.863 1.00 24.30 C ATOM 1222 CD1 LEU B 196 0.452 -7.937 7.163 1.00 63.01 C ATOM 1223 CD2 LEU B 196 0.278 -6.178 5.373 1.00 63.35 C ATOM 0 H LEU B 196 0.178 -3.954 7.983 1.00 42.45 H new ATOM 0 HA LEU B 196 -2.099 -5.199 9.200 1.00 65.11 H new ATOM 0 HB2 LEU B 196 -1.760 -6.816 7.495 1.00 75.42 H new ATOM 0 HB3 LEU B 196 -1.509 -5.240 6.770 1.00 75.42 H new ATOM 0 HG LEU B 196 1.066 -5.903 7.323 1.00 24.30 H new ATOM 0 HD11 LEU B 196 1.396 -8.267 6.730 1.00 63.01 H new ATOM 0 HD12 LEU B 196 0.474 -8.091 8.242 1.00 63.01 H new ATOM 0 HD13 LEU B 196 -0.366 -8.513 6.731 1.00 63.01 H new ATOM 0 HD21 LEU B 196 1.223 -6.529 4.959 1.00 63.35 H new ATOM 0 HD22 LEU B 196 -0.546 -6.701 4.889 1.00 63.35 H new ATOM 0 HD23 LEU B 196 0.181 -5.107 5.198 1.00 63.35 H new ATOM 1235 N GLN B 197 0.864 -5.965 10.062 1.00 54.12 N ATOM 1236 CA GLN B 197 1.685 -6.818 10.887 1.00 1.52 C ATOM 1237 C GLN B 197 1.213 -6.855 12.333 1.00 14.31 C ATOM 1238 O GLN B 197 0.437 -5.991 12.780 1.00 23.34 O ATOM 1239 CB GLN B 197 3.147 -6.413 10.842 1.00 12.04 C ATOM 1240 CG GLN B 197 3.759 -6.495 9.472 1.00 14.33 C ATOM 1241 CD GLN B 197 5.216 -6.123 9.465 1.00 33.32 C ATOM 1242 OE1 GLN B 197 5.686 -5.331 10.286 1.00 54.42 O ATOM 1243 NE2 GLN B 197 5.936 -6.662 8.541 1.00 34.25 N ATOM 0 H GLN B 197 1.345 -5.140 9.703 1.00 54.12 H new ATOM 0 HA GLN B 197 1.584 -7.819 10.468 1.00 1.52 H new ATOM 0 HB2 GLN B 197 3.243 -5.392 11.212 1.00 12.04 H new ATOM 0 HB3 GLN B 197 3.712 -7.052 11.521 1.00 12.04 H new ATOM 0 HG2 GLN B 197 3.645 -7.509 9.088 1.00 14.33 H new ATOM 0 HG3 GLN B 197 3.216 -5.835 8.796 1.00 14.33 H new ATOM 0 HE21 GLN B 197 5.513 -7.313 7.879 1.00 34.25 H new ATOM 0 HE22 GLN B 197 6.929 -6.438 8.472 1.00 34.25 H new ATOM 1252 N SER B 198 1.635 -7.861 13.048 1.00 33.54 N ATOM 1253 CA SER B 198 1.342 -7.948 14.433 1.00 12.43 C ATOM 1254 C SER B 198 2.215 -6.925 15.158 1.00 1.54 C ATOM 1255 O SER B 198 3.441 -6.848 14.929 1.00 24.20 O ATOM 1256 CB SER B 198 1.592 -9.378 14.924 1.00 25.00 C ATOM 1257 OG SER B 198 2.907 -9.828 14.587 1.00 4.45 O ATOM 0 H SER B 198 2.188 -8.635 12.680 1.00 33.54 H new ATOM 0 HA SER B 198 0.295 -7.723 14.635 1.00 12.43 H new ATOM 0 HB2 SER B 198 1.458 -9.421 16.005 1.00 25.00 H new ATOM 0 HB3 SER B 198 0.854 -10.049 14.484 1.00 25.00 H new ATOM 0 HG SER B 198 3.034 -10.742 14.916 1.00 4.45 H new ATOM 1263 N HIS B 199 1.617 -6.136 15.985 1.00 64.41 N ATOM 1264 CA HIS B 199 2.323 -5.077 16.636 1.00 72.30 C ATOM 1265 C HIS B 199 1.798 -4.972 18.041 1.00 63.44 C ATOM 1266 O HIS B 199 0.807 -4.262 18.263 1.00 64.51 O ATOM 1267 CB HIS B 199 2.091 -3.771 15.856 1.00 55.12 C ATOM 1268 CG HIS B 199 2.974 -2.626 16.231 1.00 44.44 C ATOM 1269 ND1 HIS B 199 3.999 -2.198 15.432 1.00 1.01 N ATOM 1270 CD2 HIS B 199 2.947 -1.780 17.284 1.00 11.40 C ATOM 1271 CE1 HIS B 199 4.563 -1.147 15.967 1.00 1.32 C ATOM 1272 NE2 HIS B 199 3.944 -0.868 17.093 1.00 12.31 N ATOM 0 H HIS B 199 0.629 -6.203 16.230 1.00 64.41 H new ATOM 0 HA HIS B 199 3.396 -5.269 16.666 1.00 72.30 H new ATOM 0 HB2 HIS B 199 2.224 -3.976 14.794 1.00 55.12 H new ATOM 0 HB3 HIS B 199 1.054 -3.466 15.994 1.00 55.12 H new ATOM 0 HD2 HIS B 199 2.264 -1.818 18.120 1.00 11.40 H new ATOM 0 HE1 HIS B 199 5.397 -0.600 15.554 1.00 1.32 H new ATOM 0 HE2 HIS B 199 4.172 -0.097 17.721 1.00 12.31 H new