USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 489 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 HIS : no HE2:sc= 0.468 K(o=1.8,f=-4.8!) USER MOD Set 1.2: A 110 TYR OH : rot 69:sc= 1.29 USER MOD Set 2.1: A 44 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 67 THR OG1 : rot 51:sc= 1.25 USER MOD Single : A 46 GLN : amide:sc= 0.131 X(o=0.13,f=0) USER MOD Single : A 47 SER OG : rot 33:sc= 0.454 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.183 X(o=-0.18,f=0) USER MOD Single : A 92 TYR OH : rot 180:sc= -0.0361 USER MOD Single : A 93 ASN : amide:sc= -1.58! C(o=-1.6!,f=-1.7!) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot -160:sc=-0.000247 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 MET CE :methyl 156:sc= -0.341 (180deg=-1.22) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 THR OG1 : rot 48:sc= 0.565 USER MOD ----------------------------------------------------------------- ATOM 113 N ASP A 41 -111.918-124.236 1.513 1.00 0.00 N ATOM 114 CA ASP A 41 -112.932-124.283 2.576 1.00 0.00 C ATOM 115 C ASP A 41 -114.068-123.372 2.153 1.00 0.00 C ATOM 116 O ASP A 41 -113.849-122.461 1.358 1.00 0.00 O ATOM 117 CB ASP A 41 -112.335-123.834 3.948 1.00 0.00 C ATOM 118 CG ASP A 41 -113.297-124.012 5.132 1.00 0.00 C ATOM 119 OD1 ASP A 41 -113.631-125.183 5.453 1.00 0.00 O ATOM 120 OD2 ASP A 41 -113.717-122.974 5.709 1.00 0.00 O ATOM 0 HA ASP A 41 -113.290-125.303 2.713 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -111.426-124.404 4.142 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -112.046-122.785 3.882 1.00 0.00 H new ATOM 125 N VAL A 42 -115.310-123.535 2.708 1.00 0.00 N ATOM 126 CA VAL A 42 -116.434-122.647 2.366 1.00 0.00 C ATOM 127 C VAL A 42 -116.483-121.592 3.459 1.00 0.00 C ATOM 128 O VAL A 42 -116.706-121.863 4.635 1.00 0.00 O ATOM 129 CB VAL A 42 -117.774-123.391 2.269 1.00 0.00 C ATOM 130 CG1 VAL A 42 -118.929-122.428 1.895 1.00 0.00 C ATOM 131 CG2 VAL A 42 -117.650-124.482 1.185 1.00 0.00 C ATOM 0 H VAL A 42 -115.541-124.265 3.382 1.00 0.00 H new ATOM 0 HA VAL A 42 -116.277-122.210 1.380 1.00 0.00 H new ATOM 0 HB VAL A 42 -118.003-123.831 3.240 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -119.863-122.986 1.835 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -119.018-121.653 2.657 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -118.719-121.966 0.930 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -118.594-125.021 1.102 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -117.412-124.018 0.228 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -116.857-125.178 1.458 1.00 0.00 H new ATOM 141 N ILE A 43 -116.215-120.328 3.056 1.00 0.00 N ATOM 142 CA ILE A 43 -115.998-119.139 3.871 1.00 0.00 C ATOM 143 C ILE A 43 -117.215-118.205 3.767 1.00 0.00 C ATOM 144 O ILE A 43 -117.965-118.259 2.790 1.00 0.00 O ATOM 145 CB ILE A 43 -114.654-118.523 3.401 1.00 0.00 C ATOM 146 CG1 ILE A 43 -113.501-119.546 3.622 1.00 0.00 C ATOM 147 CG2 ILE A 43 -114.303-117.199 4.100 1.00 0.00 C ATOM 148 CD1 ILE A 43 -112.091-119.012 3.329 1.00 0.00 C ATOM 0 H ILE A 43 -116.141-120.109 2.062 1.00 0.00 H new ATOM 0 HA ILE A 43 -115.913-119.355 4.936 1.00 0.00 H new ATOM 0 HB ILE A 43 -114.775-118.296 2.342 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -113.535-119.890 4.656 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -113.682-120.416 2.990 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -113.351-116.828 3.720 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -115.083-116.465 3.901 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -114.226-117.364 5.175 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -111.359-119.798 3.512 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -112.031-118.696 2.288 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -111.881-118.162 3.979 1.00 0.00 H new ATOM 160 N THR A 44 -117.442-117.318 4.786 1.00 0.00 N ATOM 161 CA THR A 44 -118.588-116.392 4.835 1.00 0.00 C ATOM 162 C THR A 44 -118.078-114.961 4.901 1.00 0.00 C ATOM 163 O THR A 44 -117.492-114.559 5.910 1.00 0.00 O ATOM 164 CB THR A 44 -119.533-116.665 6.018 1.00 0.00 C ATOM 165 OG1 THR A 44 -119.946-118.025 6.023 1.00 0.00 O ATOM 166 CG2 THR A 44 -120.824-115.827 5.942 1.00 0.00 C ATOM 0 H THR A 44 -116.824-117.236 5.593 1.00 0.00 H new ATOM 0 HA THR A 44 -119.169-116.550 3.927 1.00 0.00 H new ATOM 0 HB THR A 44 -118.968-116.406 6.913 1.00 0.00 H new ATOM 0 HG1 THR A 44 -120.545-118.182 6.783 1.00 0.00 H new ATOM 0 HG21 THR A 44 -121.457-116.056 6.799 1.00 0.00 H new ATOM 0 HG22 THR A 44 -120.571-114.767 5.951 1.00 0.00 H new ATOM 0 HG23 THR A 44 -121.358-116.065 5.022 1.00 0.00 H new ATOM 174 N PHE A 45 -118.275-114.154 3.821 1.00 0.00 N ATOM 175 CA PHE A 45 -117.787-112.760 3.760 1.00 0.00 C ATOM 176 C PHE A 45 -118.856-111.654 3.872 1.00 0.00 C ATOM 177 O PHE A 45 -119.857-111.643 3.140 1.00 0.00 O ATOM 178 CB PHE A 45 -117.055-112.489 2.418 1.00 0.00 C ATOM 179 CG PHE A 45 -115.861-113.386 2.241 1.00 0.00 C ATOM 180 CD1 PHE A 45 -116.021-114.664 1.732 1.00 0.00 C ATOM 181 CD2 PHE A 45 -114.583-112.917 2.482 1.00 0.00 C ATOM 182 CE1 PHE A 45 -114.930-115.446 1.415 1.00 0.00 C ATOM 183 CE2 PHE A 45 -113.490-113.714 2.204 1.00 0.00 C ATOM 184 CZ PHE A 45 -113.658-114.972 1.662 1.00 0.00 C ATOM 0 H PHE A 45 -118.771-114.453 2.982 1.00 0.00 H new ATOM 0 HA PHE A 45 -117.142-112.700 4.637 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -117.748-112.638 1.590 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -116.735-111.448 2.382 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -117.016-115.055 1.581 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -114.439-111.927 2.888 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -115.070-116.423 0.976 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -112.495-113.350 2.413 1.00 0.00 H new ATOM 0 HZ PHE A 45 -112.797-115.583 1.432 1.00 0.00 H new ATOM 194 N GLN A 46 -118.585-110.631 4.745 1.00 0.00 N ATOM 195 CA GLN A 46 -119.351-109.391 4.909 1.00 0.00 C ATOM 196 C GLN A 46 -118.403-108.181 4.679 1.00 0.00 C ATOM 197 O GLN A 46 -117.182-108.300 4.777 1.00 0.00 O ATOM 198 CB GLN A 46 -120.114-109.320 6.286 1.00 0.00 C ATOM 199 CG GLN A 46 -121.254-110.387 6.430 1.00 0.00 C ATOM 200 CD GLN A 46 -122.470-110.022 7.323 1.00 0.00 C ATOM 201 OE1 GLN A 46 -122.966-110.814 8.130 1.00 0.00 O ATOM 202 NE2 GLN A 46 -123.019-108.801 7.108 1.00 0.00 N ATOM 0 H GLN A 46 -117.784-110.670 5.375 1.00 0.00 H new ATOM 0 HA GLN A 46 -120.142-109.364 4.160 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -119.397-109.455 7.096 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -120.543-108.325 6.403 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -121.627-110.617 5.432 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -120.811-111.302 6.823 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -122.594-108.162 6.437 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -123.857-108.522 7.617 1.00 0.00 H new ATOM 211 N SER A 47 -118.977-106.972 4.369 1.00 0.00 N ATOM 212 CA SER A 47 -118.303-105.680 4.112 1.00 0.00 C ATOM 213 C SER A 47 -118.749-104.573 5.076 1.00 0.00 C ATOM 214 O SER A 47 -119.910-104.523 5.492 1.00 0.00 O ATOM 215 CB SER A 47 -118.585-105.159 2.657 1.00 0.00 C ATOM 216 OG SER A 47 -117.945-103.917 2.313 1.00 0.00 O ATOM 0 H SER A 47 -119.990-106.884 4.290 1.00 0.00 H new ATOM 0 HA SER A 47 -117.242-105.886 4.254 1.00 0.00 H new ATOM 0 HB2 SER A 47 -118.265-105.922 1.947 1.00 0.00 H new ATOM 0 HB3 SER A 47 -119.661-105.040 2.534 1.00 0.00 H new ATOM 0 HG SER A 47 -117.085-103.853 2.778 1.00 0.00 H new ATOM 222 N TYR A 48 -117.830-103.622 5.391 1.00 0.00 N ATOM 223 CA TYR A 48 -118.100-102.439 6.186 1.00 0.00 C ATOM 224 C TYR A 48 -117.808-101.223 5.308 1.00 0.00 C ATOM 225 O TYR A 48 -116.682-101.015 4.863 1.00 0.00 O ATOM 226 CB TYR A 48 -117.236-102.467 7.486 1.00 0.00 C ATOM 227 CG TYR A 48 -117.547-101.403 8.520 1.00 0.00 C ATOM 228 CD1 TYR A 48 -118.842-101.014 8.835 1.00 0.00 C ATOM 229 CD2 TYR A 48 -116.505-100.853 9.246 1.00 0.00 C ATOM 230 CE1 TYR A 48 -119.083-100.109 9.852 1.00 0.00 C ATOM 231 CE2 TYR A 48 -116.743 -99.933 10.245 1.00 0.00 C ATOM 232 CZ TYR A 48 -118.030 -99.551 10.551 1.00 0.00 C ATOM 233 OH TYR A 48 -118.225 -98.605 11.582 1.00 0.00 O ATOM 0 H TYR A 48 -116.860-103.678 5.080 1.00 0.00 H new ATOM 0 HA TYR A 48 -119.140-102.397 6.510 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -117.353-103.444 7.954 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -116.188-102.373 7.203 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -119.672-101.424 8.278 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -115.490-101.149 9.027 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -120.098 -99.837 10.101 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -115.914 -99.509 10.792 1.00 0.00 H new ATOM 0 HH TYR A 48 -117.357 -98.337 11.948 1.00 0.00 H new ATOM 431 N TRP A 62 -123.261-101.680 7.146 1.00 0.00 N ATOM 432 CA TRP A 62 -122.833-103.057 7.196 1.00 0.00 C ATOM 433 C TRP A 62 -123.763-103.857 6.267 1.00 0.00 C ATOM 434 O TRP A 62 -124.983-103.853 6.444 1.00 0.00 O ATOM 435 CB TRP A 62 -122.989-103.555 8.669 1.00 0.00 C ATOM 436 CG TRP A 62 -121.790-103.330 9.579 1.00 0.00 C ATOM 437 CD1 TRP A 62 -121.617-102.573 10.707 1.00 0.00 C ATOM 438 CD2 TRP A 62 -120.600-104.115 9.448 1.00 0.00 C ATOM 439 NE1 TRP A 62 -120.404-102.858 11.286 1.00 0.00 N ATOM 440 CE2 TRP A 62 -119.783-103.808 10.525 1.00 0.00 C ATOM 441 CE3 TRP A 62 -120.237-105.034 8.517 1.00 0.00 C ATOM 442 CZ2 TRP A 62 -118.595-104.426 10.702 1.00 0.00 C ATOM 443 CZ3 TRP A 62 -119.028-105.674 8.692 1.00 0.00 C ATOM 444 CH2 TRP A 62 -118.222-105.387 9.784 1.00 0.00 C ATOM 0 HA TRP A 62 -121.796-103.177 6.881 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -123.853-103.058 9.110 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -123.210-104.622 8.649 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -122.330-101.856 11.086 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -120.032-102.434 12.136 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -120.871-105.256 7.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -117.956-104.176 11.536 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -118.704-106.408 7.969 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -117.293-105.921 9.917 1.00 0.00 H new ATOM 455 N VAL A 63 -123.205-104.572 5.251 1.00 0.00 N ATOM 456 CA VAL A 63 -123.975-105.401 4.315 1.00 0.00 C ATOM 457 C VAL A 63 -123.337-106.783 4.269 1.00 0.00 C ATOM 458 O VAL A 63 -122.208-106.970 4.737 1.00 0.00 O ATOM 459 CB VAL A 63 -124.107-104.799 2.901 1.00 0.00 C ATOM 460 CG1 VAL A 63 -124.991-103.530 2.963 1.00 0.00 C ATOM 461 CG2 VAL A 63 -122.733-104.481 2.266 1.00 0.00 C ATOM 0 H VAL A 63 -122.202-104.581 5.068 1.00 0.00 H new ATOM 0 HA VAL A 63 -124.999-105.458 4.684 1.00 0.00 H new ATOM 0 HB VAL A 63 -124.579-105.544 2.261 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -125.085-103.103 1.964 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -125.979-103.793 3.340 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -124.532-102.799 3.628 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -122.881-104.060 1.272 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -122.202-103.762 2.890 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -122.147-105.397 2.189 1.00 0.00 H new ATOM 471 N ASP A 64 -124.036-107.798 3.679 1.00 0.00 N ATOM 472 CA ASP A 64 -123.547-109.165 3.465 1.00 0.00 C ATOM 473 C ASP A 64 -123.043-109.243 2.025 1.00 0.00 C ATOM 474 O ASP A 64 -123.696-108.716 1.126 1.00 0.00 O ATOM 475 CB ASP A 64 -124.660-110.221 3.762 1.00 0.00 C ATOM 476 CG ASP A 64 -124.121-111.650 3.941 1.00 0.00 C ATOM 477 OD1 ASP A 64 -123.737-112.284 2.922 1.00 0.00 O ATOM 478 OD2 ASP A 64 -124.099-112.126 5.107 1.00 0.00 O ATOM 0 H ASP A 64 -124.986-107.666 3.333 1.00 0.00 H new ATOM 0 HA ASP A 64 -122.735-109.397 4.154 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -125.196-109.928 4.665 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -125.383-110.214 2.946 1.00 0.00 H new ATOM 483 N GLU A 65 -121.852-109.857 1.765 1.00 0.00 N ATOM 484 CA GLU A 65 -121.258-109.844 0.432 1.00 0.00 C ATOM 485 C GLU A 65 -121.537-111.117 -0.346 1.00 0.00 C ATOM 486 O GLU A 65 -122.252-111.103 -1.344 1.00 0.00 O ATOM 487 CB GLU A 65 -119.737-109.512 0.496 1.00 0.00 C ATOM 488 CG GLU A 65 -119.178-108.880 -0.800 1.00 0.00 C ATOM 489 CD GLU A 65 -119.797-107.509 -1.069 1.00 0.00 C ATOM 490 OE1 GLU A 65 -119.679-106.615 -0.189 1.00 0.00 O ATOM 491 OE2 GLU A 65 -120.399-107.337 -2.163 1.00 0.00 O ATOM 0 H GLU A 65 -121.304-110.357 2.465 1.00 0.00 H new ATOM 0 HA GLU A 65 -121.744-109.043 -0.125 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -119.559-108.830 1.327 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -119.184-110.427 0.710 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -118.095-108.782 -0.720 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -119.377-109.541 -1.643 1.00 0.00 H new ATOM 498 N PHE A 66 -120.944-112.251 0.099 1.00 0.00 N ATOM 499 CA PHE A 66 -121.055-113.541 -0.559 1.00 0.00 C ATOM 500 C PHE A 66 -120.582-114.601 0.428 1.00 0.00 C ATOM 501 O PHE A 66 -120.031-114.304 1.489 1.00 0.00 O ATOM 502 CB PHE A 66 -120.240-113.624 -1.921 1.00 0.00 C ATOM 503 CG PHE A 66 -118.728-113.519 -1.763 1.00 0.00 C ATOM 504 CD1 PHE A 66 -118.149-112.344 -1.346 1.00 0.00 C ATOM 505 CD2 PHE A 66 -117.914-114.629 -1.875 1.00 0.00 C ATOM 506 CE1 PHE A 66 -116.838-112.287 -0.941 1.00 0.00 C ATOM 507 CE2 PHE A 66 -116.578-114.567 -1.527 1.00 0.00 C ATOM 508 CZ PHE A 66 -116.032-113.392 -1.052 1.00 0.00 C ATOM 0 H PHE A 66 -120.369-112.277 0.941 1.00 0.00 H new ATOM 0 HA PHE A 66 -122.095-113.703 -0.841 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -120.476-114.567 -2.413 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -120.579-112.826 -2.581 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -118.741-111.441 -1.337 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -118.327-115.558 -2.239 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -116.440-111.369 -0.534 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -115.957-115.445 -1.628 1.00 0.00 H new ATOM 0 HZ PHE A 66 -114.990-113.343 -0.773 1.00 0.00 H new ATOM 518 N THR A 67 -120.699-115.890 0.048 1.00 0.00 N ATOM 519 CA THR A 67 -120.119-117.011 0.777 1.00 0.00 C ATOM 520 C THR A 67 -119.544-117.870 -0.333 1.00 0.00 C ATOM 521 O THR A 67 -120.192-118.086 -1.355 1.00 0.00 O ATOM 522 CB THR A 67 -121.095-117.729 1.726 1.00 0.00 C ATOM 523 OG1 THR A 67 -120.512-118.836 2.410 1.00 0.00 O ATOM 524 CG2 THR A 67 -122.380-118.199 1.020 1.00 0.00 C ATOM 0 H THR A 67 -121.209-116.174 -0.788 1.00 0.00 H new ATOM 0 HA THR A 67 -119.358-116.704 1.494 1.00 0.00 H new ATOM 0 HB THR A 67 -121.353-116.968 2.463 1.00 0.00 H new ATOM 0 HG1 THR A 67 -119.673-118.555 2.832 1.00 0.00 H new ATOM 0 HG21 THR A 67 -123.029-118.698 1.740 1.00 0.00 H new ATOM 0 HG22 THR A 67 -122.899-117.338 0.599 1.00 0.00 H new ATOM 0 HG23 THR A 67 -122.123-118.894 0.221 1.00 0.00 H new ATOM 532 N ALA A 68 -118.288-118.334 -0.186 1.00 0.00 N ATOM 533 CA ALA A 68 -117.614-119.053 -1.282 1.00 0.00 C ATOM 534 C ALA A 68 -116.479-119.973 -0.867 1.00 0.00 C ATOM 535 O ALA A 68 -115.946-119.898 0.236 1.00 0.00 O ATOM 536 CB ALA A 68 -117.123-118.115 -2.420 1.00 0.00 C ATOM 0 H ALA A 68 -117.731-118.227 0.661 1.00 0.00 H new ATOM 0 HA ALA A 68 -118.413-119.693 -1.657 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -116.636-118.707 -3.195 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -117.974-117.586 -2.849 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -116.414-117.393 -2.016 1.00 0.00 H new ATOM 542 N ALA A 69 -116.058-120.872 -1.803 1.00 0.00 N ATOM 543 CA ALA A 69 -114.956-121.822 -1.657 1.00 0.00 C ATOM 544 C ALA A 69 -113.621-121.103 -1.932 1.00 0.00 C ATOM 545 O ALA A 69 -113.443-120.442 -2.951 1.00 0.00 O ATOM 546 CB ALA A 69 -115.167-123.028 -2.601 1.00 0.00 C ATOM 0 H ALA A 69 -116.509-120.943 -2.715 1.00 0.00 H new ATOM 0 HA ALA A 69 -114.929-122.207 -0.638 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -114.341-123.730 -2.485 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -116.104-123.526 -2.351 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -115.205-122.680 -3.633 1.00 0.00 H new ATOM 552 N ALA A 70 -112.710-121.132 -0.928 1.00 0.00 N ATOM 553 CA ALA A 70 -111.583-120.231 -0.836 1.00 0.00 C ATOM 554 C ALA A 70 -110.579-120.645 0.230 1.00 0.00 C ATOM 555 O ALA A 70 -110.816-121.522 1.069 1.00 0.00 O ATOM 556 CB ALA A 70 -112.096-118.833 -0.415 1.00 0.00 C ATOM 0 H ALA A 70 -112.757-121.800 -0.158 1.00 0.00 H new ATOM 0 HA ALA A 70 -111.098-120.240 -1.812 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -111.255-118.144 -0.342 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -112.803-118.466 -1.159 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -112.592-118.904 0.553 1.00 0.00 H new ATOM 562 N HIS A 71 -109.429-119.917 0.219 1.00 0.00 N ATOM 563 CA HIS A 71 -108.450-119.894 1.290 1.00 0.00 C ATOM 564 C HIS A 71 -108.173-118.422 1.605 1.00 0.00 C ATOM 565 O HIS A 71 -107.721-117.698 0.716 1.00 0.00 O ATOM 566 CB HIS A 71 -107.102-120.596 0.941 1.00 0.00 C ATOM 567 CG HIS A 71 -106.220-120.840 2.142 1.00 0.00 C ATOM 568 ND1 HIS A 71 -104.944-121.357 2.102 1.00 0.00 N ATOM 569 CD2 HIS A 71 -106.468-120.581 3.454 1.00 0.00 C ATOM 570 CE1 HIS A 71 -104.483-121.367 3.383 1.00 0.00 C ATOM 571 NE2 HIS A 71 -105.380-120.904 4.238 1.00 0.00 N ATOM 0 H HIS A 71 -109.170-119.320 -0.567 1.00 0.00 H new ATOM 0 HA HIS A 71 -108.864-120.447 2.133 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -107.313-121.549 0.456 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -106.559-119.985 0.220 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -104.441-121.672 1.272 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -107.395-120.176 3.832 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -103.500-121.712 3.668 1.00 0.00 H new ATOM 579 N VAL A 72 -108.387-117.954 2.879 1.00 0.00 N ATOM 580 CA VAL A 72 -108.021-116.622 3.399 1.00 0.00 C ATOM 581 C VAL A 72 -106.832-116.937 4.328 1.00 0.00 C ATOM 582 O VAL A 72 -107.034-117.430 5.427 1.00 0.00 O ATOM 583 CB VAL A 72 -109.174-115.894 4.168 1.00 0.00 C ATOM 584 CG1 VAL A 72 -108.683-114.763 5.099 1.00 0.00 C ATOM 585 CG2 VAL A 72 -110.295-115.245 3.311 1.00 0.00 C ATOM 0 H VAL A 72 -108.839-118.531 3.588 1.00 0.00 H new ATOM 0 HA VAL A 72 -107.790-115.925 2.594 1.00 0.00 H new ATOM 0 HB VAL A 72 -109.586-116.743 4.714 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -109.538-114.305 5.597 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -108.005-115.175 5.846 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -108.159-114.009 4.511 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -111.029-114.776 3.967 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -109.861-114.491 2.654 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -110.784-116.012 2.710 1.00 0.00 H new ATOM 595 N GLN A 73 -105.559-116.697 3.925 1.00 0.00 N ATOM 596 CA GLN A 73 -104.346-117.090 4.650 1.00 0.00 C ATOM 597 C GLN A 73 -103.554-115.877 5.162 1.00 0.00 C ATOM 598 O GLN A 73 -103.452-114.904 4.427 1.00 0.00 O ATOM 599 CB GLN A 73 -103.506-117.862 3.595 1.00 0.00 C ATOM 600 CG GLN A 73 -102.072-118.300 3.952 1.00 0.00 C ATOM 601 CD GLN A 73 -101.342-118.688 2.666 1.00 0.00 C ATOM 602 OE1 GLN A 73 -101.011-119.844 2.400 1.00 0.00 O ATOM 603 NE2 GLN A 73 -101.082-117.656 1.815 1.00 0.00 N ATOM 0 H GLN A 73 -105.352-116.207 3.055 1.00 0.00 H new ATOM 0 HA GLN A 73 -104.587-117.680 5.534 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -104.064-118.757 3.322 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -103.446-117.239 2.703 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -101.544-117.490 4.456 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -102.096-119.143 4.642 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -101.368-116.708 2.061 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -100.602-117.831 0.932 1.00 0.00 H new ATOM 612 N PRO A 74 -102.956-115.763 6.364 1.00 0.00 N ATOM 613 CA PRO A 74 -102.133-114.607 6.768 1.00 0.00 C ATOM 614 C PRO A 74 -100.757-114.530 6.057 1.00 0.00 C ATOM 615 O PRO A 74 -100.224-115.574 5.655 1.00 0.00 O ATOM 616 CB PRO A 74 -102.000-114.806 8.293 1.00 0.00 C ATOM 617 CG PRO A 74 -102.032-116.325 8.498 1.00 0.00 C ATOM 618 CD PRO A 74 -102.989-116.804 7.394 1.00 0.00 C ATOM 0 HA PRO A 74 -102.590-113.658 6.487 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -101.071-114.376 8.668 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -102.815-114.318 8.827 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -101.041-116.767 8.393 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -102.396-116.591 9.491 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -102.671-117.765 6.990 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -103.999-116.939 7.782 1.00 0.00 H new ATOM 626 N ILE A 75 -100.127-113.308 5.945 1.00 0.00 N ATOM 627 CA ILE A 75 -98.754-113.031 5.439 1.00 0.00 C ATOM 628 C ILE A 75 -97.646-113.631 6.339 1.00 0.00 C ATOM 629 O ILE A 75 -96.844-112.966 6.994 1.00 0.00 O ATOM 630 CB ILE A 75 -98.452-111.548 5.126 1.00 0.00 C ATOM 631 CG1 ILE A 75 -98.627-110.552 6.304 1.00 0.00 C ATOM 632 CG2 ILE A 75 -99.312-111.113 3.922 1.00 0.00 C ATOM 633 CD1 ILE A 75 -97.640-109.379 6.228 1.00 0.00 C ATOM 0 H ILE A 75 -100.601-112.449 6.225 1.00 0.00 H new ATOM 0 HA ILE A 75 -98.739-113.547 4.479 1.00 0.00 H new ATOM 0 HB ILE A 75 -97.386-111.504 4.904 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -99.647-110.166 6.302 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -98.488-111.080 7.247 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -99.110-110.068 3.689 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -99.068-111.731 3.058 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -100.367-111.232 4.167 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -97.803-108.711 7.074 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -96.619-109.760 6.258 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -97.796-108.832 5.298 1.00 0.00 H new ATOM 894 N GLY A 91 -101.401-108.660 7.794 1.00 0.00 N ATOM 895 CA GLY A 91 -102.121-108.578 6.541 1.00 0.00 C ATOM 896 C GLY A 91 -102.516-109.952 6.152 1.00 0.00 C ATOM 897 O GLY A 91 -102.208-110.915 6.856 1.00 0.00 O ATOM 0 HA2 GLY A 91 -103.001-107.944 6.647 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -101.495-108.128 5.770 1.00 0.00 H new ATOM 901 N TYR A 92 -103.210-110.092 5.004 1.00 0.00 N ATOM 902 CA TYR A 92 -103.664-111.365 4.483 1.00 0.00 C ATOM 903 C TYR A 92 -103.323-111.455 3.021 1.00 0.00 C ATOM 904 O TYR A 92 -103.223-110.474 2.280 1.00 0.00 O ATOM 905 CB TYR A 92 -105.187-111.710 4.672 1.00 0.00 C ATOM 906 CG TYR A 92 -105.434-112.271 6.045 1.00 0.00 C ATOM 907 CD1 TYR A 92 -105.356-111.536 7.213 1.00 0.00 C ATOM 908 CD2 TYR A 92 -105.777-113.597 6.142 1.00 0.00 C ATOM 909 CE1 TYR A 92 -105.581-112.130 8.436 1.00 0.00 C ATOM 910 CE2 TYR A 92 -105.992-114.206 7.352 1.00 0.00 C ATOM 911 CZ TYR A 92 -105.906-113.466 8.507 1.00 0.00 C ATOM 912 OH TYR A 92 -106.171-114.037 9.764 1.00 0.00 O ATOM 0 H TYR A 92 -103.467-109.300 4.415 1.00 0.00 H new ATOM 0 HA TYR A 92 -103.137-112.103 5.089 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -105.790-110.814 4.525 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -105.499-112.431 3.917 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -105.116-110.484 7.167 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -105.881-114.178 5.238 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -105.502-111.546 9.341 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -106.227-115.259 7.397 1.00 0.00 H new ATOM 0 HH TYR A 92 -106.387-114.987 9.653 1.00 0.00 H new ATOM 922 N ASN A 93 -103.193-112.736 2.621 1.00 0.00 N ATOM 923 CA ASN A 93 -103.008-113.179 1.263 1.00 0.00 C ATOM 924 C ASN A 93 -104.105-114.222 1.083 1.00 0.00 C ATOM 925 O ASN A 93 -104.205-115.220 1.797 1.00 0.00 O ATOM 926 CB ASN A 93 -101.572-113.735 1.124 1.00 0.00 C ATOM 927 CG ASN A 93 -101.094-113.988 -0.305 1.00 0.00 C ATOM 928 OD1 ASN A 93 -100.115-114.722 -0.452 1.00 0.00 O ATOM 929 ND2 ASN A 93 -101.719-113.393 -1.351 1.00 0.00 N ATOM 0 H ASN A 93 -103.218-113.511 3.283 1.00 0.00 H new ATOM 0 HA ASN A 93 -103.092-112.410 0.495 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -100.884-113.036 1.599 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -101.509-114.671 1.679 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -101.381-113.546 -2.301 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -102.527-112.792 -1.188 1.00 0.00 H new ATOM 936 N ILE A 94 -105.017-113.960 0.125 1.00 0.00 N ATOM 937 CA ILE A 94 -106.250-114.720 -0.064 1.00 0.00 C ATOM 938 C ILE A 94 -106.445-115.058 -1.529 1.00 0.00 C ATOM 939 O ILE A 94 -106.169-114.233 -2.407 1.00 0.00 O ATOM 940 CB ILE A 94 -107.472-113.893 0.416 1.00 0.00 C ATOM 941 CG1 ILE A 94 -107.241-113.282 1.827 1.00 0.00 C ATOM 942 CG2 ILE A 94 -108.813-114.666 0.310 1.00 0.00 C ATOM 943 CD1 ILE A 94 -108.273-112.235 2.236 1.00 0.00 C ATOM 0 H ILE A 94 -104.907-113.200 -0.546 1.00 0.00 H new ATOM 0 HA ILE A 94 -106.170-115.638 0.519 1.00 0.00 H new ATOM 0 HB ILE A 94 -107.566-113.057 -0.278 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -107.245-114.086 2.563 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -106.250-112.829 1.856 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -109.627-114.032 0.661 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -108.992-114.944 -0.729 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -108.764-115.566 0.923 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -108.037-111.861 3.232 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -108.255-111.409 1.525 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -109.265-112.686 2.243 1.00 0.00 H new ATOM 955 N TYR A 95 -107.040-116.266 -1.796 1.00 0.00 N ATOM 956 CA TYR A 95 -107.488-116.725 -3.104 1.00 0.00 C ATOM 957 C TYR A 95 -108.966-117.077 -2.904 1.00 0.00 C ATOM 958 O TYR A 95 -109.344-117.788 -1.967 1.00 0.00 O ATOM 959 CB TYR A 95 -106.589-117.858 -3.766 1.00 0.00 C ATOM 960 CG TYR A 95 -107.084-119.297 -3.645 1.00 0.00 C ATOM 961 CD1 TYR A 95 -108.149-119.711 -4.433 1.00 0.00 C ATOM 962 CD2 TYR A 95 -106.615-120.163 -2.672 1.00 0.00 C ATOM 963 CE1 TYR A 95 -108.834-120.870 -4.135 1.00 0.00 C ATOM 964 CE2 TYR A 95 -107.253-121.367 -2.430 1.00 0.00 C ATOM 965 CZ TYR A 95 -108.396-121.700 -3.127 1.00 0.00 C ATOM 966 OH TYR A 95 -109.130-122.862 -2.801 1.00 0.00 O ATOM 0 H TYR A 95 -107.215-116.952 -1.062 1.00 0.00 H new ATOM 0 HA TYR A 95 -107.374-115.949 -3.861 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -106.478-117.626 -4.825 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -105.595-117.804 -3.322 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -108.444-119.120 -5.287 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -105.742-119.896 -2.095 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -109.720-121.129 -4.696 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -106.855-122.048 -1.693 1.00 0.00 H new ATOM 0 HH TYR A 95 -108.684-123.336 -2.069 1.00 0.00 H new ATOM 976 N THR A 96 -109.845-116.548 -3.784 1.00 0.00 N ATOM 977 CA THR A 96 -111.267-116.881 -3.863 1.00 0.00 C ATOM 978 C THR A 96 -111.568-116.917 -5.365 1.00 0.00 C ATOM 979 O THR A 96 -110.938-116.105 -6.045 1.00 0.00 O ATOM 980 CB THR A 96 -112.074-115.854 -3.066 1.00 0.00 C ATOM 981 OG1 THR A 96 -111.772-116.025 -1.682 1.00 0.00 O ATOM 982 CG2 THR A 96 -113.601-115.957 -3.232 1.00 0.00 C ATOM 0 H THR A 96 -109.565-115.855 -4.478 1.00 0.00 H new ATOM 0 HA THR A 96 -111.539-117.839 -3.419 1.00 0.00 H new ATOM 0 HB THR A 96 -111.786-114.877 -3.455 1.00 0.00 H new ATOM 0 HG1 THR A 96 -112.482-115.622 -1.140 1.00 0.00 H new ATOM 0 HG21 THR A 96 -114.085-115.189 -2.629 1.00 0.00 H new ATOM 0 HG22 THR A 96 -113.863-115.815 -4.280 1.00 0.00 H new ATOM 0 HG23 THR A 96 -113.937-116.941 -2.904 1.00 0.00 H new ATOM 990 N PRO A 97 -112.440-117.741 -6.012 1.00 0.00 N ATOM 991 CA PRO A 97 -112.749-117.679 -7.452 1.00 0.00 C ATOM 992 C PRO A 97 -113.638-116.463 -7.803 1.00 0.00 C ATOM 993 O PRO A 97 -114.514-116.104 -7.017 1.00 0.00 O ATOM 994 CB PRO A 97 -113.453-119.029 -7.714 1.00 0.00 C ATOM 995 CG PRO A 97 -114.172-119.335 -6.396 1.00 0.00 C ATOM 996 CD PRO A 97 -113.175-118.812 -5.356 1.00 0.00 C ATOM 0 HA PRO A 97 -111.866-117.540 -8.076 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -114.155-118.958 -8.545 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -112.736-119.810 -7.968 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -115.134-118.827 -6.329 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -114.365-120.401 -6.275 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -113.692-118.445 -4.469 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -112.502-119.604 -5.028 1.00 0.00 H new ATOM 1004 N TYR A 98 -113.344-115.809 -8.955 1.00 0.00 N ATOM 1005 CA TYR A 98 -113.850-114.615 -9.656 1.00 0.00 C ATOM 1006 C TYR A 98 -114.431-113.374 -8.926 1.00 0.00 C ATOM 1007 O TYR A 98 -114.765-112.365 -9.543 1.00 0.00 O ATOM 1008 CB TYR A 98 -114.672-115.050 -10.914 1.00 0.00 C ATOM 1009 CG TYR A 98 -114.624-114.058 -12.060 1.00 0.00 C ATOM 1010 CD1 TYR A 98 -113.431-113.491 -12.489 1.00 0.00 C ATOM 1011 CD2 TYR A 98 -115.798-113.670 -12.683 1.00 0.00 C ATOM 1012 CE1 TYR A 98 -113.426-112.543 -13.491 1.00 0.00 C ATOM 1013 CE2 TYR A 98 -115.790-112.740 -13.704 1.00 0.00 C ATOM 1014 CZ TYR A 98 -114.601-112.171 -14.107 1.00 0.00 C ATOM 1015 OH TYR A 98 -114.562-111.201 -15.133 1.00 0.00 O ATOM 0 H TYR A 98 -112.589-116.199 -9.519 1.00 0.00 H new ATOM 0 HA TYR A 98 -112.906-114.125 -9.896 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -114.297-116.012 -11.264 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -115.711-115.200 -10.621 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -112.500-113.795 -12.034 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -116.736-114.102 -12.365 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -112.494-112.089 -13.795 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -116.715-112.459 -14.186 1.00 0.00 H new ATOM 0 HH TYR A 98 -115.469-111.045 -15.470 1.00 0.00 H new ATOM 1025 N ASP A 99 -114.504-113.415 -7.581 1.00 0.00 N ATOM 1026 CA ASP A 99 -114.917-112.374 -6.642 1.00 0.00 C ATOM 1027 C ASP A 99 -113.710-111.734 -5.940 1.00 0.00 C ATOM 1028 O ASP A 99 -113.105-112.308 -5.030 1.00 0.00 O ATOM 1029 CB ASP A 99 -115.866-112.937 -5.534 1.00 0.00 C ATOM 1030 CG ASP A 99 -117.209-113.428 -6.093 1.00 0.00 C ATOM 1031 OD1 ASP A 99 -117.537-113.126 -7.272 1.00 0.00 O ATOM 1032 OD2 ASP A 99 -117.935-114.109 -5.321 1.00 0.00 O ATOM 0 H ASP A 99 -114.248-114.268 -7.084 1.00 0.00 H new ATOM 0 HA ASP A 99 -115.442-111.628 -7.238 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -115.369-113.760 -5.020 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -116.049-112.161 -4.790 1.00 0.00 H new ATOM 1037 N ASP A 100 -113.332-110.478 -6.300 1.00 0.00 N ATOM 1038 CA ASP A 100 -112.251-109.666 -5.712 1.00 0.00 C ATOM 1039 C ASP A 100 -112.753-108.850 -4.512 1.00 0.00 C ATOM 1040 O ASP A 100 -112.557-107.646 -4.387 1.00 0.00 O ATOM 1041 CB ASP A 100 -111.526-108.773 -6.779 1.00 0.00 C ATOM 1042 CG ASP A 100 -112.465-107.907 -7.636 1.00 0.00 C ATOM 1043 OD1 ASP A 100 -113.159-108.470 -8.523 1.00 0.00 O ATOM 1044 OD2 ASP A 100 -112.479-106.665 -7.419 1.00 0.00 O ATOM 0 H ASP A 100 -113.807-109.983 -7.054 1.00 0.00 H new ATOM 0 HA ASP A 100 -111.497-110.359 -5.337 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -110.819-108.121 -6.267 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -110.945-109.418 -7.439 1.00 0.00 H new ATOM 1049 N ARG A 101 -113.472-109.553 -3.610 1.00 0.00 N ATOM 1050 CA ARG A 101 -114.192-109.074 -2.454 1.00 0.00 C ATOM 1051 C ARG A 101 -113.447-109.316 -1.150 1.00 0.00 C ATOM 1052 O ARG A 101 -113.272-108.349 -0.422 1.00 0.00 O ATOM 1053 CB ARG A 101 -115.600-109.703 -2.481 1.00 0.00 C ATOM 1054 CG ARG A 101 -116.451-109.318 -3.708 1.00 0.00 C ATOM 1055 CD ARG A 101 -116.753-107.812 -3.813 1.00 0.00 C ATOM 1056 NE ARG A 101 -117.594-107.552 -5.035 1.00 0.00 N ATOM 1057 CZ ARG A 101 -117.081-107.411 -6.299 1.00 0.00 C ATOM 1058 NH1 ARG A 101 -115.738-107.489 -6.529 1.00 0.00 N ATOM 1059 NH2 ARG A 101 -117.931-107.192 -7.344 1.00 0.00 N ATOM 0 H ARG A 101 -113.558-110.565 -3.700 1.00 0.00 H new ATOM 0 HA ARG A 101 -114.283-107.989 -2.501 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -115.500-110.788 -2.451 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -116.133-109.407 -1.578 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -115.932-109.638 -4.612 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -117.393-109.865 -3.670 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -117.276-107.472 -2.919 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -115.823-107.247 -3.872 1.00 0.00 H new ATOM 0 HE ARG A 101 -118.604-107.476 -4.916 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -115.097-107.655 -5.753 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -115.376-107.381 -7.476 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -118.936-107.135 -7.180 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -117.561-107.086 -8.289 1.00 0.00 H new ATOM 1073 N ILE A 102 -112.926-110.555 -0.849 1.00 0.00 N ATOM 1074 CA ILE A 102 -111.997-111.007 0.185 1.00 0.00 C ATOM 1075 C ILE A 102 -111.562-110.066 1.320 1.00 0.00 C ATOM 1076 O ILE A 102 -112.141-110.061 2.405 1.00 0.00 O ATOM 1077 CB ILE A 102 -110.845-111.673 -0.596 1.00 0.00 C ATOM 1078 CG1 ILE A 102 -110.218-110.815 -1.748 1.00 0.00 C ATOM 1079 CG2 ILE A 102 -111.458-112.961 -1.186 1.00 0.00 C ATOM 1080 CD1 ILE A 102 -109.531-111.623 -2.867 1.00 0.00 C ATOM 0 H ILE A 102 -113.205-111.351 -1.423 1.00 0.00 H new ATOM 0 HA ILE A 102 -112.542-111.684 0.842 1.00 0.00 H new ATOM 0 HB ILE A 102 -110.012-111.835 0.088 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -111.003-110.203 -2.193 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -109.488-110.131 -1.315 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -110.700-113.495 -1.759 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -111.817-113.597 -0.377 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -112.291-112.701 -1.840 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -109.130-110.940 -3.615 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -108.719-112.214 -2.443 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -110.258-112.287 -3.335 1.00 0.00 H new ATOM 1092 N ASP A 103 -110.555-109.227 1.019 1.00 0.00 N ATOM 1093 CA ASP A 103 -110.076-108.114 1.807 1.00 0.00 C ATOM 1094 C ASP A 103 -110.183-106.875 0.895 1.00 0.00 C ATOM 1095 O ASP A 103 -109.430-106.765 -0.068 1.00 0.00 O ATOM 1096 CB ASP A 103 -108.598-108.461 2.179 1.00 0.00 C ATOM 1097 CG ASP A 103 -107.941-107.536 3.196 1.00 0.00 C ATOM 1098 OD1 ASP A 103 -108.649-106.638 3.707 1.00 0.00 O ATOM 1099 OD2 ASP A 103 -106.728-107.728 3.481 1.00 0.00 O ATOM 0 H ASP A 103 -110.027-109.330 0.153 1.00 0.00 H new ATOM 0 HA ASP A 103 -110.632-107.921 2.724 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -108.569-109.479 2.568 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -108.001-108.452 1.267 1.00 0.00 H new ATOM 1104 N LYS A 104 -111.106-105.922 1.214 1.00 0.00 N ATOM 1105 CA LYS A 104 -111.404-104.706 0.451 1.00 0.00 C ATOM 1106 C LYS A 104 -112.428-103.883 1.261 1.00 0.00 C ATOM 1107 O LYS A 104 -113.432-103.405 0.741 1.00 0.00 O ATOM 1108 CB LYS A 104 -111.999-105.068 -0.952 1.00 0.00 C ATOM 1109 CG LYS A 104 -112.089-103.932 -1.991 1.00 0.00 C ATOM 1110 CD LYS A 104 -112.846-104.389 -3.249 1.00 0.00 C ATOM 1111 CE LYS A 104 -113.013-103.292 -4.304 1.00 0.00 C ATOM 1112 NZ LYS A 104 -113.758-103.809 -5.477 1.00 0.00 N ATOM 0 H LYS A 104 -111.681-105.999 2.053 1.00 0.00 H new ATOM 0 HA LYS A 104 -110.491-104.133 0.289 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -111.396-105.870 -1.379 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -113.001-105.469 -0.801 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -112.595-103.072 -1.551 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -111.086-103.606 -2.265 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -112.316-105.231 -3.695 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -113.831-104.752 -2.957 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -113.544-102.443 -3.874 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -112.034-102.929 -4.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -113.862-103.052 -6.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -113.236-104.605 -5.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -114.699-104.133 -5.175 1.00 0.00 H new ATOM 1126 N LYS A 105 -112.230-103.762 2.613 1.00 0.00 N ATOM 1127 CA LYS A 105 -113.143-103.198 3.630 1.00 0.00 C ATOM 1128 C LYS A 105 -114.161-104.269 4.010 1.00 0.00 C ATOM 1129 O LYS A 105 -115.384-104.119 3.851 1.00 0.00 O ATOM 1130 CB LYS A 105 -113.838-101.840 3.333 1.00 0.00 C ATOM 1131 CG LYS A 105 -112.905-100.623 3.289 1.00 0.00 C ATOM 1132 CD LYS A 105 -113.690 -99.298 3.283 1.00 0.00 C ATOM 1133 CE LYS A 105 -112.794 -98.062 3.433 1.00 0.00 C ATOM 1134 NZ LYS A 105 -113.603 -96.821 3.452 1.00 0.00 N ATOM 0 H LYS A 105 -111.360-104.084 3.038 1.00 0.00 H new ATOM 0 HA LYS A 105 -112.490-102.922 4.458 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -114.354-101.916 2.376 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -114.600-101.666 4.093 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -112.238-100.646 4.151 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -112.278-100.678 2.399 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -114.251 -99.220 2.352 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -114.418 -99.311 4.094 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -112.215 -98.137 4.353 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -112.081 -98.023 2.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -112.975 -95.999 3.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -114.136 -96.741 2.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -114.267 -96.851 4.252 1.00 0.00 H new ATOM 1148 N MET A 106 -113.587-105.422 4.460 1.00 0.00 N ATOM 1149 CA MET A 106 -114.291-106.655 4.732 1.00 0.00 C ATOM 1150 C MET A 106 -113.990-107.157 6.135 1.00 0.00 C ATOM 1151 O MET A 106 -112.971-106.879 6.774 1.00 0.00 O ATOM 1152 CB MET A 106 -113.958-107.759 3.667 1.00 0.00 C ATOM 1153 CG MET A 106 -114.888-107.822 2.424 1.00 0.00 C ATOM 1154 SD MET A 106 -115.047-106.321 1.414 1.00 0.00 S ATOM 1155 CE MET A 106 -116.271-106.866 0.196 1.00 0.00 C ATOM 0 H MET A 106 -112.586-105.493 4.641 1.00 0.00 H new ATOM 0 HA MET A 106 -115.358-106.440 4.665 1.00 0.00 H new ATOM 0 HB2 MET A 106 -112.936-107.603 3.322 1.00 0.00 H new ATOM 0 HB3 MET A 106 -113.983-108.730 4.162 1.00 0.00 H new ATOM 0 HG2 MET A 106 -114.532-108.625 1.778 1.00 0.00 H new ATOM 0 HG3 MET A 106 -115.884-108.105 2.764 1.00 0.00 H new ATOM 0 HE1 MET A 106 -116.789-105.998 -0.213 1.00 0.00 H new ATOM 0 HE2 MET A 106 -115.769-107.402 -0.610 1.00 0.00 H new ATOM 0 HE3 MET A 106 -116.993-107.527 0.676 1.00 0.00 H new ATOM 1165 N ARG A 107 -114.939-107.999 6.585 1.00 0.00 N ATOM 1166 CA ARG A 107 -114.946-108.777 7.800 1.00 0.00 C ATOM 1167 C ARG A 107 -115.144-110.175 7.263 1.00 0.00 C ATOM 1168 O ARG A 107 -116.025-110.428 6.437 1.00 0.00 O ATOM 1169 CB ARG A 107 -116.091-108.321 8.746 1.00 0.00 C ATOM 1170 CG ARG A 107 -116.538-109.279 9.876 1.00 0.00 C ATOM 1171 CD ARG A 107 -115.486-109.625 10.945 1.00 0.00 C ATOM 1172 NE ARG A 107 -115.262-108.424 11.823 1.00 0.00 N ATOM 1173 CZ ARG A 107 -114.490-108.460 12.954 1.00 0.00 C ATOM 1174 NH1 ARG A 107 -113.798-109.582 13.297 1.00 0.00 N ATOM 1175 NH2 ARG A 107 -114.394-107.346 13.738 1.00 0.00 N ATOM 0 H ARG A 107 -115.790-108.153 6.045 1.00 0.00 H new ATOM 0 HA ARG A 107 -114.049-108.681 8.412 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -115.786-107.382 9.208 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -116.964-108.104 8.130 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -117.399-108.836 10.377 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -116.878-110.209 9.419 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -115.823-110.471 11.544 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -114.551-109.923 10.470 1.00 0.00 H new ATOM 0 HE ARG A 107 -115.705-107.543 11.564 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -113.850-110.413 12.708 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -113.228-109.591 14.143 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -114.895-106.496 13.480 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -113.821-107.364 14.582 1.00 0.00 H new ATOM 1189 N VAL A 108 -114.306-111.132 7.692 1.00 0.00 N ATOM 1190 CA VAL A 108 -114.421-112.490 7.225 1.00 0.00 C ATOM 1191 C VAL A 108 -114.395-113.421 8.396 1.00 0.00 C ATOM 1192 O VAL A 108 -113.642-113.252 9.368 1.00 0.00 O ATOM 1193 CB VAL A 108 -113.349-112.844 6.188 1.00 0.00 C ATOM 1194 CG1 VAL A 108 -111.916-112.760 6.739 1.00 0.00 C ATOM 1195 CG2 VAL A 108 -113.588-114.231 5.568 1.00 0.00 C ATOM 0 H VAL A 108 -113.550-110.975 8.359 1.00 0.00 H new ATOM 0 HA VAL A 108 -115.375-112.597 6.709 1.00 0.00 H new ATOM 0 HB VAL A 108 -113.444-112.086 5.411 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -111.208-113.023 5.953 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -111.717-111.745 7.082 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -111.806-113.453 7.573 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -112.806-114.443 4.839 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -113.568-114.988 6.352 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -114.559-114.246 5.074 1.00 0.00 H new ATOM 1205 N ILE A 109 -115.221-114.501 8.237 1.00 0.00 N ATOM 1206 CA ILE A 109 -115.193-115.677 9.069 1.00 0.00 C ATOM 1207 C ILE A 109 -114.509-116.683 8.136 1.00 0.00 C ATOM 1208 O ILE A 109 -115.141-117.192 7.200 1.00 0.00 O ATOM 1209 CB ILE A 109 -116.605-116.172 9.449 1.00 0.00 C ATOM 1210 CG1 ILE A 109 -117.484-115.108 10.155 1.00 0.00 C ATOM 1211 CG2 ILE A 109 -116.461-117.390 10.386 1.00 0.00 C ATOM 1212 CD1 ILE A 109 -118.215-114.120 9.233 1.00 0.00 C ATOM 0 H ILE A 109 -115.928-114.547 7.503 1.00 0.00 H new ATOM 0 HA ILE A 109 -114.696-115.514 10.025 1.00 0.00 H new ATOM 0 HB ILE A 109 -117.109-116.421 8.515 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -118.227-115.624 10.763 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -116.853-114.539 10.838 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -117.450-117.753 10.665 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -115.915-118.182 9.873 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -115.916-117.096 11.283 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -118.798-113.423 9.835 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -117.486-113.566 8.642 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -118.881-114.669 8.567 1.00 0.00 H new ATOM 1224 N TYR A 110 -113.209-116.993 8.418 1.00 0.00 N ATOM 1225 CA TYR A 110 -112.336-117.935 7.742 1.00 0.00 C ATOM 1226 C TYR A 110 -112.348-119.199 8.590 1.00 0.00 C ATOM 1227 O TYR A 110 -111.558-119.311 9.520 1.00 0.00 O ATOM 1228 CB TYR A 110 -110.915-117.257 7.650 1.00 0.00 C ATOM 1229 CG TYR A 110 -109.715-118.152 7.383 1.00 0.00 C ATOM 1230 CD1 TYR A 110 -109.715-119.125 6.400 1.00 0.00 C ATOM 1231 CD2 TYR A 110 -108.598-118.047 8.192 1.00 0.00 C ATOM 1232 CE1 TYR A 110 -108.620-119.950 6.221 1.00 0.00 C ATOM 1233 CE2 TYR A 110 -107.518-118.888 8.036 1.00 0.00 C ATOM 1234 CZ TYR A 110 -107.501-119.838 7.034 1.00 0.00 C ATOM 1235 OH TYR A 110 -106.333-120.634 6.864 1.00 0.00 O ATOM 0 H TYR A 110 -112.728-116.538 9.194 1.00 0.00 H new ATOM 0 HA TYR A 110 -112.642-118.196 6.729 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -110.954-116.506 6.861 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -110.736-116.728 8.586 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -110.581-119.242 5.765 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -108.572-117.290 8.962 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -108.636-120.693 5.437 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -106.675-118.803 8.705 1.00 0.00 H new ATOM 0 HH TYR A 110 -105.883-120.380 6.031 1.00 0.00 H new ATOM 1245 N ARG A 111 -113.278-120.159 8.321 1.00 0.00 N ATOM 1246 CA ARG A 111 -113.443-121.439 9.027 1.00 0.00 C ATOM 1247 C ARG A 111 -113.763-121.360 10.540 1.00 0.00 C ATOM 1248 O ARG A 111 -113.344-122.190 11.345 1.00 0.00 O ATOM 1249 CB ARG A 111 -112.251-122.391 8.708 1.00 0.00 C ATOM 1250 CG ARG A 111 -112.588-123.891 8.764 1.00 0.00 C ATOM 1251 CD ARG A 111 -111.428-124.757 8.250 1.00 0.00 C ATOM 1252 NE ARG A 111 -111.874-126.194 8.222 1.00 0.00 N ATOM 1253 CZ ARG A 111 -111.235-127.166 7.497 1.00 0.00 C ATOM 1254 NH1 ARG A 111 -110.134-126.873 6.746 1.00 0.00 N ATOM 1255 NH2 ARG A 111 -111.711-128.445 7.527 1.00 0.00 N ATOM 0 H ARG A 111 -113.958-120.045 7.570 1.00 0.00 H new ATOM 0 HA ARG A 111 -114.363-121.865 8.626 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -111.873-122.155 7.713 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -111.444-122.188 9.412 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -112.824-124.172 9.790 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -113.479-124.086 8.167 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -111.129-124.435 7.253 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -110.557-124.644 8.896 1.00 0.00 H new ATOM 0 HE ARG A 111 -112.693-126.458 8.770 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -109.775-125.919 6.718 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -109.670-127.608 6.212 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -112.535-128.670 8.085 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -111.243-129.176 6.991 1.00 0.00 H new ATOM 1269 N GLY A 112 -114.518-120.300 10.949 1.00 0.00 N ATOM 1270 CA GLY A 112 -114.854-119.964 12.337 1.00 0.00 C ATOM 1271 C GLY A 112 -113.913-118.992 13.020 1.00 0.00 C ATOM 1272 O GLY A 112 -114.031-118.760 14.220 1.00 0.00 O ATOM 0 H GLY A 112 -114.918-119.639 10.283 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -115.860-119.544 12.357 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -114.882-120.885 12.919 1.00 0.00 H new ATOM 1276 N LYS A 113 -112.960-118.382 12.267 1.00 0.00 N ATOM 1277 CA LYS A 113 -111.975-117.419 12.751 1.00 0.00 C ATOM 1278 C LYS A 113 -112.331-116.023 12.234 1.00 0.00 C ATOM 1279 O LYS A 113 -112.414-115.803 11.023 1.00 0.00 O ATOM 1280 CB LYS A 113 -110.544-117.834 12.303 1.00 0.00 C ATOM 1281 CG LYS A 113 -110.144-119.244 12.787 1.00 0.00 C ATOM 1282 CD LYS A 113 -108.897-119.817 12.086 1.00 0.00 C ATOM 1283 CE LYS A 113 -107.628-118.967 12.244 1.00 0.00 C ATOM 1284 NZ LYS A 113 -106.473-119.625 11.589 1.00 0.00 N ATOM 0 H LYS A 113 -112.866-118.565 11.268 1.00 0.00 H new ATOM 0 HA LYS A 113 -111.989-117.403 13.841 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -110.486-117.800 11.215 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -109.826-117.108 12.684 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -109.961-119.210 13.861 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -110.982-119.923 12.628 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -108.702-120.815 12.479 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -109.113-119.930 11.024 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -107.788-117.981 11.807 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -107.415-118.816 13.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -105.625-119.035 11.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -106.311-120.555 12.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -106.672-119.747 10.575 1.00 0.00 H new ATOM 1298 N ILE A 114 -112.576-115.058 13.168 1.00 0.00 N ATOM 1299 CA ILE A 114 -113.003-113.685 12.885 1.00 0.00 C ATOM 1300 C ILE A 114 -111.860-112.658 12.879 1.00 0.00 C ATOM 1301 O ILE A 114 -111.261-112.348 13.908 1.00 0.00 O ATOM 1302 CB ILE A 114 -114.126-113.245 13.842 1.00 0.00 C ATOM 1303 CG1 ILE A 114 -113.880-113.695 15.308 1.00 0.00 C ATOM 1304 CG2 ILE A 114 -115.458-113.790 13.281 1.00 0.00 C ATOM 1305 CD1 ILE A 114 -114.892-113.103 16.296 1.00 0.00 C ATOM 0 H ILE A 114 -112.474-115.237 14.167 1.00 0.00 H new ATOM 0 HA ILE A 114 -113.388-113.707 11.865 1.00 0.00 H new ATOM 0 HB ILE A 114 -114.156-112.156 13.890 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -113.924-114.783 15.360 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -112.874-113.402 15.608 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -116.277-113.495 13.937 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -115.627-113.382 12.284 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -115.411-114.878 13.225 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -114.666-113.455 17.303 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -114.832-112.015 16.270 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -115.898-113.418 16.019 1.00 0.00 H new ATOM 1317 N VAL A 115 -111.578-112.071 11.677 1.00 0.00 N ATOM 1318 CA VAL A 115 -110.597-110.995 11.446 1.00 0.00 C ATOM 1319 C VAL A 115 -111.238-109.862 10.616 1.00 0.00 C ATOM 1320 O VAL A 115 -112.121-110.113 9.793 1.00 0.00 O ATOM 1321 CB VAL A 115 -109.274-111.475 10.808 1.00 0.00 C ATOM 1322 CG1 VAL A 115 -108.528-112.391 11.803 1.00 0.00 C ATOM 1323 CG2 VAL A 115 -109.508-112.214 9.469 1.00 0.00 C ATOM 0 H VAL A 115 -112.052-112.354 10.819 1.00 0.00 H new ATOM 0 HA VAL A 115 -110.319-110.615 12.429 1.00 0.00 H new ATOM 0 HB VAL A 115 -108.668-110.597 10.587 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -107.594-112.731 11.355 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -108.312-111.836 12.716 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -109.151-113.253 12.041 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -108.550-112.533 9.057 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -110.138-113.087 9.640 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -110.001-111.544 8.765 1.00 0.00 H new ATOM 1333 N THR A 116 -110.795-108.581 10.813 1.00 0.00 N ATOM 1334 CA THR A 116 -111.232-107.366 10.103 1.00 0.00 C ATOM 1335 C THR A 116 -109.992-106.757 9.460 1.00 0.00 C ATOM 1336 O THR A 116 -108.905-106.758 10.041 1.00 0.00 O ATOM 1337 CB THR A 116 -112.012-106.356 10.978 1.00 0.00 C ATOM 1338 OG1 THR A 116 -112.356-105.131 10.326 1.00 0.00 O ATOM 1339 CG2 THR A 116 -111.287-106.015 12.294 1.00 0.00 C ATOM 0 H THR A 116 -110.084-108.373 11.514 1.00 0.00 H new ATOM 0 HA THR A 116 -111.966-107.642 9.346 1.00 0.00 H new ATOM 0 HB THR A 116 -112.937-106.892 11.189 1.00 0.00 H new ATOM 0 HG1 THR A 116 -112.846-104.555 10.949 1.00 0.00 H new ATOM 0 HG21 THR A 116 -111.883-105.302 12.864 1.00 0.00 H new ATOM 0 HG22 THR A 116 -111.150-106.924 12.880 1.00 0.00 H new ATOM 0 HG23 THR A 116 -110.314-105.577 12.071 1.00 0.00 H new ATOM 1347 N PHE A 117 -110.148-106.249 8.206 1.00 0.00 N ATOM 1348 CA PHE A 117 -109.045-105.758 7.391 1.00 0.00 C ATOM 1349 C PHE A 117 -109.452-104.911 6.161 1.00 0.00 C ATOM 1350 O PHE A 117 -110.525-105.082 5.568 1.00 0.00 O ATOM 1351 CB PHE A 117 -108.115-106.956 6.967 1.00 0.00 C ATOM 1352 CG PHE A 117 -108.782-108.233 6.437 1.00 0.00 C ATOM 1353 CD1 PHE A 117 -110.054-108.324 5.873 1.00 0.00 C ATOM 1354 CD2 PHE A 117 -108.034-109.398 6.494 1.00 0.00 C ATOM 1355 CE1 PHE A 117 -110.521-109.505 5.334 1.00 0.00 C ATOM 1356 CE2 PHE A 117 -108.512-110.586 5.984 1.00 0.00 C ATOM 1357 CZ PHE A 117 -109.735-110.630 5.363 1.00 0.00 C ATOM 0 H PHE A 117 -111.056-106.176 7.747 1.00 0.00 H new ATOM 0 HA PHE A 117 -108.501-105.061 8.029 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -107.432-106.593 6.199 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -107.508-107.230 7.830 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -110.688-107.450 5.858 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -107.054-109.375 6.948 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -111.504-109.544 4.889 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -107.922-111.486 6.073 1.00 0.00 H new ATOM 0 HZ PHE A 117 -110.077-111.544 4.900 1.00 0.00 H new ATOM 1367 N ILE A 118 -108.521-103.998 5.720 1.00 0.00 N ATOM 1368 CA ILE A 118 -108.631-103.175 4.506 1.00 0.00 C ATOM 1369 C ILE A 118 -107.519-103.635 3.561 1.00 0.00 C ATOM 1370 O ILE A 118 -106.354-103.602 3.933 1.00 0.00 O ATOM 1371 CB ILE A 118 -108.508-101.659 4.763 1.00 0.00 C ATOM 1372 CG1 ILE A 118 -109.447-101.248 5.927 1.00 0.00 C ATOM 1373 CG2 ILE A 118 -108.817-100.872 3.460 1.00 0.00 C ATOM 1374 CD1 ILE A 118 -109.643 -99.739 6.095 1.00 0.00 C ATOM 0 H ILE A 118 -107.655-103.825 6.230 1.00 0.00 H new ATOM 0 HA ILE A 118 -109.626-103.313 4.083 1.00 0.00 H new ATOM 0 HB ILE A 118 -107.487-101.415 5.057 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -110.421-101.711 5.769 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -109.048-101.654 6.857 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -108.728 -99.803 3.651 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -108.110-101.162 2.683 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -109.831-101.098 3.130 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -110.314 -99.550 6.933 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -108.680 -99.266 6.288 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -110.074 -99.324 5.184 1.00 0.00 H new ATOM 1386 N GLY A 119 -107.839-104.103 2.321 1.00 0.00 N ATOM 1387 CA GLY A 119 -106.849-104.629 1.372 1.00 0.00 C ATOM 1388 C GLY A 119 -107.087-104.137 -0.030 1.00 0.00 C ATOM 1389 O GLY A 119 -108.043-103.412 -0.285 1.00 0.00 O ATOM 0 H GLY A 119 -108.794-104.121 1.964 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -105.849-104.336 1.693 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -106.881-105.718 1.383 1.00 0.00 H new ATOM 1393 N ASP A 120 -106.208-104.545 -0.985 1.00 0.00 N ATOM 1394 CA ASP A 120 -106.257-104.188 -2.400 1.00 0.00 C ATOM 1395 C ASP A 120 -106.295-105.480 -3.222 1.00 0.00 C ATOM 1396 O ASP A 120 -105.236-106.082 -3.404 1.00 0.00 O ATOM 1397 CB ASP A 120 -105.007-103.361 -2.829 1.00 0.00 C ATOM 1398 CG ASP A 120 -104.984-102.023 -2.084 1.00 0.00 C ATOM 1399 OD1 ASP A 120 -105.929-101.216 -2.288 1.00 0.00 O ATOM 1400 OD2 ASP A 120 -104.021-101.795 -1.303 1.00 0.00 O ATOM 0 H ASP A 120 -105.421-105.155 -0.765 1.00 0.00 H new ATOM 0 HA ASP A 120 -107.144-103.578 -2.572 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -104.098-103.922 -2.614 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -105.027-103.187 -3.905 1.00 0.00 H new ATOM 1405 N PRO A 121 -107.446-105.997 -3.684 1.00 0.00 N ATOM 1406 CA PRO A 121 -107.540-107.230 -4.468 1.00 0.00 C ATOM 1407 C PRO A 121 -107.387-106.991 -5.985 1.00 0.00 C ATOM 1408 O PRO A 121 -107.625-105.892 -6.487 1.00 0.00 O ATOM 1409 CB PRO A 121 -108.926-107.744 -4.064 1.00 0.00 C ATOM 1410 CG PRO A 121 -109.759-106.477 -3.906 1.00 0.00 C ATOM 1411 CD PRO A 121 -108.764-105.459 -3.348 1.00 0.00 C ATOM 0 HA PRO A 121 -106.740-107.944 -4.270 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -109.344-108.404 -4.824 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -108.885-108.313 -3.135 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -110.175-106.150 -4.859 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -110.598-106.631 -3.227 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -108.914-104.475 -3.793 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -108.880-105.343 -2.270 1.00 0.00 H new ATOM 1419 N VAL A 122 -106.956-108.034 -6.745 1.00 0.00 N ATOM 1420 CA VAL A 122 -106.681-108.003 -8.180 1.00 0.00 C ATOM 1421 C VAL A 122 -107.430-109.129 -8.910 1.00 0.00 C ATOM 1422 O VAL A 122 -107.343-110.301 -8.541 1.00 0.00 O ATOM 1423 CB VAL A 122 -105.167-108.135 -8.458 1.00 0.00 C ATOM 1424 CG1 VAL A 122 -104.843-107.864 -9.949 1.00 0.00 C ATOM 1425 CG2 VAL A 122 -104.364-107.149 -7.575 1.00 0.00 C ATOM 0 H VAL A 122 -106.788-108.955 -6.340 1.00 0.00 H new ATOM 0 HA VAL A 122 -107.030-107.041 -8.555 1.00 0.00 H new ATOM 0 HB VAL A 122 -104.879-109.158 -8.216 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -103.770-107.965 -10.112 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -105.374-108.583 -10.573 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -105.157-106.854 -10.212 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -103.300-107.257 -7.785 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -104.676-106.128 -7.794 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -104.550-107.368 -6.524 1.00 0.00 H new ATOM 1435 N ASP A 123 -108.166-108.788 -10.008 1.00 0.00 N ATOM 1436 CA ASP A 123 -108.829-109.686 -10.953 1.00 0.00 C ATOM 1437 C ASP A 123 -107.979-109.788 -12.218 1.00 0.00 C ATOM 1438 O ASP A 123 -107.517-108.769 -12.723 1.00 0.00 O ATOM 1439 CB ASP A 123 -110.298-109.248 -11.294 1.00 0.00 C ATOM 1440 CG ASP A 123 -110.453-107.805 -11.807 1.00 0.00 C ATOM 1441 OD1 ASP A 123 -110.271-106.858 -10.996 1.00 0.00 O ATOM 1442 OD2 ASP A 123 -110.767-107.643 -13.016 1.00 0.00 O ATOM 0 H ASP A 123 -108.311-107.810 -10.257 1.00 0.00 H new ATOM 0 HA ASP A 123 -108.917-110.664 -10.480 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -110.697-109.928 -12.047 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -110.911-109.366 -10.401 1.00 0.00 H new ATOM 1520 N GLU A 129 -109.570-117.683 -13.762 1.00 0.00 N ATOM 1521 CA GLU A 129 -110.732-117.051 -13.139 1.00 0.00 C ATOM 1522 C GLU A 129 -110.590-116.936 -11.624 1.00 0.00 C ATOM 1523 O GLU A 129 -111.567-116.938 -10.883 1.00 0.00 O ATOM 1524 CB GLU A 129 -112.043-117.805 -13.498 1.00 0.00 C ATOM 1525 CG GLU A 129 -112.366-117.810 -15.005 1.00 0.00 C ATOM 1526 CD GLU A 129 -112.630-116.384 -15.494 1.00 0.00 C ATOM 1527 OE1 GLU A 129 -113.627-115.773 -15.025 1.00 0.00 O ATOM 1528 OE2 GLU A 129 -111.839-115.889 -16.341 1.00 0.00 O ATOM 0 HA GLU A 129 -110.785-116.040 -13.542 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -111.966-118.835 -13.149 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -112.873-117.348 -12.960 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -111.535-118.245 -15.561 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -113.239-118.435 -15.195 1.00 0.00 H new ATOM 1535 N ILE A 130 -109.341-116.816 -11.116 1.00 0.00 N ATOM 1536 CA ILE A 130 -109.031-116.621 -9.701 1.00 0.00 C ATOM 1537 C ILE A 130 -108.712-115.151 -9.463 1.00 0.00 C ATOM 1538 O ILE A 130 -107.850-114.547 -10.102 1.00 0.00 O ATOM 1539 CB ILE A 130 -107.914-117.550 -9.191 1.00 0.00 C ATOM 1540 CG1 ILE A 130 -108.397-119.023 -9.250 1.00 0.00 C ATOM 1541 CG2 ILE A 130 -107.470-117.196 -7.743 1.00 0.00 C ATOM 1542 CD1 ILE A 130 -107.267-120.048 -9.096 1.00 0.00 C ATOM 0 H ILE A 130 -108.508-116.855 -11.703 1.00 0.00 H new ATOM 0 HA ILE A 130 -109.909-116.898 -9.117 1.00 0.00 H new ATOM 0 HB ILE A 130 -107.048-117.413 -9.839 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -109.134-119.186 -8.463 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -108.903-119.193 -10.201 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -106.681-117.878 -7.427 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -107.096-116.172 -7.717 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -108.321-117.289 -7.068 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -107.680-121.055 -9.147 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -106.541-119.912 -9.898 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -106.776-119.906 -8.133 1.00 0.00 H new ATOM 1554 N THR A 131 -109.424-114.564 -8.471 1.00 0.00 N ATOM 1555 CA THR A 131 -109.273-113.222 -7.940 1.00 0.00 C ATOM 1556 C THR A 131 -108.460-113.345 -6.662 1.00 0.00 C ATOM 1557 O THR A 131 -108.814-114.077 -5.734 1.00 0.00 O ATOM 1558 CB THR A 131 -110.627-112.608 -7.660 1.00 0.00 C ATOM 1559 OG1 THR A 131 -111.566-113.633 -7.356 1.00 0.00 O ATOM 1560 CG2 THR A 131 -111.103-111.905 -8.938 1.00 0.00 C ATOM 0 H THR A 131 -110.172-115.070 -7.997 1.00 0.00 H new ATOM 0 HA THR A 131 -108.770-112.572 -8.656 1.00 0.00 H new ATOM 0 HB THR A 131 -110.549-111.913 -6.824 1.00 0.00 H new ATOM 0 HG1 THR A 131 -111.182-114.242 -6.691 1.00 0.00 H new ATOM 0 HG21 THR A 131 -112.079-111.453 -8.763 1.00 0.00 H new ATOM 0 HG22 THR A 131 -110.388-111.130 -9.214 1.00 0.00 H new ATOM 0 HG23 THR A 131 -111.180-112.632 -9.746 1.00 0.00 H new ATOM 1568 N ARG A 132 -107.303-112.642 -6.634 1.00 0.00 N ATOM 1569 CA ARG A 132 -106.304-112.711 -5.592 1.00 0.00 C ATOM 1570 C ARG A 132 -106.019-111.345 -5.016 1.00 0.00 C ATOM 1571 O ARG A 132 -105.904-110.344 -5.722 1.00 0.00 O ATOM 1572 CB ARG A 132 -104.996-113.368 -6.122 1.00 0.00 C ATOM 1573 CG ARG A 132 -103.891-113.602 -5.072 1.00 0.00 C ATOM 1574 CD ARG A 132 -102.680-114.361 -5.635 1.00 0.00 C ATOM 1575 NE ARG A 132 -101.630-114.427 -4.559 1.00 0.00 N ATOM 1576 CZ ARG A 132 -100.391-114.975 -4.753 1.00 0.00 C ATOM 1577 NH1 ARG A 132 -100.048-115.531 -5.950 1.00 0.00 N ATOM 1578 NH2 ARG A 132 -99.485-114.961 -3.731 1.00 0.00 N ATOM 0 H ARG A 132 -107.049-111.991 -7.377 1.00 0.00 H new ATOM 0 HA ARG A 132 -106.701-113.335 -4.792 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -105.250-114.327 -6.574 1.00 0.00 H new ATOM 0 HB3 ARG A 132 -104.591-112.739 -6.915 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -103.560-112.640 -4.680 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -104.306-114.162 -4.234 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -102.970-115.365 -5.946 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -102.290-113.854 -6.518 1.00 0.00 H new ATOM 0 HE ARG A 132 -101.853-114.045 -3.640 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -100.719-115.543 -6.718 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -99.120-115.935 -6.077 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -99.735-114.545 -2.834 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -98.559-115.367 -3.865 1.00 0.00 H new ATOM 1592 N ILE A 133 -105.878-111.300 -3.671 1.00 0.00 N ATOM 1593 CA ILE A 133 -105.389-110.153 -2.914 1.00 0.00 C ATOM 1594 C ILE A 133 -104.074-110.567 -2.299 1.00 0.00 C ATOM 1595 O ILE A 133 -103.949-111.629 -1.681 1.00 0.00 O ATOM 1596 CB ILE A 133 -106.340-109.631 -1.827 1.00 0.00 C ATOM 1597 CG1 ILE A 133 -105.851-108.393 -1.018 1.00 0.00 C ATOM 1598 CG2 ILE A 133 -106.804-110.753 -0.899 1.00 0.00 C ATOM 1599 CD1 ILE A 133 -105.209-108.683 0.348 1.00 0.00 C ATOM 0 H ILE A 133 -106.113-112.094 -3.075 1.00 0.00 H new ATOM 0 HA ILE A 133 -105.292-109.316 -3.606 1.00 0.00 H new ATOM 0 HB ILE A 133 -107.191-109.253 -2.393 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -105.129-107.850 -1.627 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -106.701-107.728 -0.863 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -107.475-110.346 -0.143 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -107.329-111.512 -1.480 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -105.939-111.203 -0.412 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -104.909-107.745 0.816 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -105.929-109.193 0.988 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -104.333-109.317 0.211 1.00 0.00 H new